smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN(C)CCO ZINC001173227520 912319078 /nfs/dbraw/zinc/31/90/78/912319078.db2.gz GSCCPDJAURTZOR-CYBMUJFWSA-N 1 1 295.383 1.430 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])n1 ZINC001173236114 912333805 /nfs/dbraw/zinc/33/38/05/912333805.db2.gz WWXZSTVLMWLZPR-VIFPVBQESA-N 1 1 261.285 1.449 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001167359215 895430834 /nfs/dbraw/zinc/43/08/34/895430834.db2.gz LXLAMZPGVDAQBC-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO Cc1c(O[C@H]2C[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC001218233034 898498010 /nfs/dbraw/zinc/49/80/10/898498010.db2.gz XGEXAFKQKLUQJO-JTQLQIEISA-N 1 1 258.224 1.889 20 5 CDBDMO CC(C)[NH+]1CC(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001168316004 908998348 /nfs/dbraw/zinc/99/83/48/908998348.db2.gz SFOZREABBXSTAJ-UHFFFAOYSA-N 1 1 275.312 1.976 20 5 CDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168980404 927569348 /nfs/dbraw/zinc/56/93/48/927569348.db2.gz DGASYPNVBJGNBB-QWRGUYRKSA-N 1 1 270.329 1.507 20 5 CDBDMO C[C@]1(O)CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006832 927612311 /nfs/dbraw/zinc/61/23/11/927612311.db2.gz JNOKVXAQOPFIHC-UPJWGTAASA-N 1 1 256.346 1.669 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169013065 927620056 /nfs/dbraw/zinc/62/00/56/927620056.db2.gz TWYYJIAROFHHRT-KXUCPTDWSA-N 1 1 282.262 1.431 20 5 CDBDMO CCCC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168986804 927622659 /nfs/dbraw/zinc/62/26/59/927622659.db2.gz ZRKULWNEZMZYBL-QJPTWQEYSA-N 1 1 272.345 1.753 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038198 927647392 /nfs/dbraw/zinc/64/73/92/927647392.db2.gz WRNUJWFGQXMIKI-GHMZBOCLSA-N 1 1 258.318 1.317 20 5 CDBDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038313 927650626 /nfs/dbraw/zinc/65/06/26/927650626.db2.gz YAGNFTJTOOZEMA-LOWDOPEQSA-N 1 1 284.356 1.563 20 5 CDBDMO COCc1noc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169020127 927660598 /nfs/dbraw/zinc/66/05/98/927660598.db2.gz INODTMPDXNBRAF-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156648021 928876286 /nfs/dbraw/zinc/87/62/86/928876286.db2.gz OHRKMIAVXKJTHD-LLVKDONJSA-N 1 1 258.281 1.899 20 5 CDBDMO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](N)CCC[NH3+] ZINC001170899381 930698795 /nfs/dbraw/zinc/69/87/95/930698795.db2.gz BIUIFFYAQDAWDV-GFCCVEGCSA-N 1 1 268.317 1.347 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12C[NH2+]C2 ZINC001246442348 931492781 /nfs/dbraw/zinc/49/27/81/931492781.db2.gz CWHRMKSBZLINJO-MFKMUULPSA-N 1 1 261.325 1.477 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156974509 938441771 /nfs/dbraw/zinc/44/17/71/938441771.db2.gz LNCWPSPBDLBMJI-UHFFFAOYSA-N 1 1 275.268 1.126 20 5 CDBDMO Cc1nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157260006 938470333 /nfs/dbraw/zinc/47/03/33/938470333.db2.gz GVWHTVALOWNLJO-DGCLKSJQSA-N 1 1 276.340 1.829 20 5 CDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CC[C@H]4C3)c21 ZINC001158430322 938624109 /nfs/dbraw/zinc/62/41/09/938624109.db2.gz DEABCDRJIGGWAM-JTQLQIEISA-N 1 1 285.307 1.432 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158494465 938630056 /nfs/dbraw/zinc/63/00/56/938630056.db2.gz JZVGGIJOXHOHBR-JTQLQIEISA-N 1 1 279.344 1.612 20 5 CDBDMO COc1nc(C)c(NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC001163922949 939352882 /nfs/dbraw/zinc/35/28/82/939352882.db2.gz BJWLNPQDJQRMKM-UHFFFAOYSA-N 1 1 291.311 1.924 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)n1 ZINC001218285151 941051729 /nfs/dbraw/zinc/05/17/29/941051729.db2.gz HEWMHHGVJLHCEG-QMMMGPOBSA-N 1 1 253.258 1.135 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166951 941961218 /nfs/dbraw/zinc/96/12/18/941961218.db2.gz APCSUQHORHPYGH-SNVBAGLBSA-N 1 1 279.296 1.167 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226252695 941975455 /nfs/dbraw/zinc/97/54/55/941975455.db2.gz SBISHZGZTLLXEG-QMMMGPOBSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226252695 941975459 /nfs/dbraw/zinc/97/54/59/941975459.db2.gz SBISHZGZTLLXEG-QMMMGPOBSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228240760 942283578 /nfs/dbraw/zinc/28/35/78/942283578.db2.gz SUIRFYJYWFGKBC-VIFPVBQESA-N 1 1 290.279 1.327 20 5 CDBDMO COC(=O)c1c(O[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229046969 942411910 /nfs/dbraw/zinc/41/19/10/942411910.db2.gz WFVVRORLSPKAPR-SECBINFHSA-N 1 1 280.280 1.464 20 5 CDBDMO COC(=O)c1cccc2nc(O[C@H](C)C[N+](C)(C)C)[n-]c21 ZINC001234045382 943725840 /nfs/dbraw/zinc/72/58/40/943725840.db2.gz UASWKZLMCPZDCY-SNVBAGLBSA-O 1 1 292.359 1.823 20 5 CDBDMO COC(=O)c1cccc2nc(O[C@H](C)C[N+](C)(C)C)[nH]c21 ZINC001234045382 943725843 /nfs/dbraw/zinc/72/58/43/943725843.db2.gz UASWKZLMCPZDCY-SNVBAGLBSA-O 1 1 292.359 1.823 20 5 CDBDMO C[C@@H](NCC[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256843 946549353 /nfs/dbraw/zinc/54/93/53/946549353.db2.gz WJHNWBKETUPCQH-VXGBXAGGSA-N 1 1 255.362 1.506 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC001254550283 947521545 /nfs/dbraw/zinc/52/15/45/947521545.db2.gz HETOKGBURICMRX-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](O)[C@@H](F)C1)C2 ZINC001254592911 947542292 /nfs/dbraw/zinc/54/22/92/947542292.db2.gz GXBRVMSCHQUVGF-MELADBBJSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](O)[C@@H](F)C1)C2 ZINC001254592911 947542306 /nfs/dbraw/zinc/54/23/06/947542306.db2.gz GXBRVMSCHQUVGF-MELADBBJSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3nncn3CC1)C2 ZINC001254595865 947546709 /nfs/dbraw/zinc/54/67/09/947546709.db2.gz ZXIJGAGXVHMXBG-CQSZACIVSA-N 1 1 299.334 1.212 20 5 CDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600912 947551396 /nfs/dbraw/zinc/55/13/96/947551396.db2.gz WQSDKNJZYQOYIU-VCTAVGKDSA-N 1 1 276.336 1.907 20 5 CDBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)COC1 ZINC001254602854 947552929 /nfs/dbraw/zinc/55/29/29/947552929.db2.gz JGVMMNLCZDZPAK-ZDUSSCGKSA-N 1 1 262.309 1.783 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC001257944752 948667687 /nfs/dbraw/zinc/66/76/87/948667687.db2.gz JTSYPEIJKTVMSN-UHFFFAOYSA-N 1 1 266.232 1.846 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC001326491501 954406977 /nfs/dbraw/zinc/40/69/77/954406977.db2.gz GTPYUHFJBIMROB-VIFPVBQESA-N 1 1 265.317 1.589 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC001329895084 956166400 /nfs/dbraw/zinc/16/64/00/956166400.db2.gz NMOZSUDZTNNDSQ-ZDUSSCGKSA-N 1 1 283.328 1.732 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC001329895084 956166410 /nfs/dbraw/zinc/16/64/10/956166410.db2.gz NMOZSUDZTNNDSQ-ZDUSSCGKSA-N 1 1 283.328 1.732 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001306058230 956301601 /nfs/dbraw/zinc/30/16/01/956301601.db2.gz UZARWZZDNKXSNJ-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ncccn3)C2)n1 ZINC001308113989 956473985 /nfs/dbraw/zinc/47/39/85/956473985.db2.gz PANFZFMUBBPHST-NSHDSACASA-N 1 1 288.311 1.071 20 5 CDBDMO Cc1nn(CN2CCC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001322188537 960122699 /nfs/dbraw/zinc/12/26/99/960122699.db2.gz YGSVAYVXEIZKJY-CYBMUJFWSA-N 1 1 293.371 1.536 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC(F)(F)F ZINC001336769493 960568214 /nfs/dbraw/zinc/56/82/14/960568214.db2.gz AKDLWLFEIIRSOF-UHFFFAOYSA-N 1 1 280.250 1.984 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337118626 960949531 /nfs/dbraw/zinc/94/95/31/960949531.db2.gz MECFSWXXLSURBK-UHFFFAOYSA-N 1 1 265.317 1.102 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001350499150 966682365 /nfs/dbraw/zinc/68/23/65/966682365.db2.gz CUNHNWLIZPHBFZ-JTQLQIEISA-N 1 1 279.344 1.978 20 5 CDBDMO CCNC(=O)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100940 342464065 /nfs/dbraw/zinc/46/40/65/342464065.db2.gz QGUWXKZVANMLFG-SECBINFHSA-N 1 1 288.307 1.501 20 5 CDBDMO C[C@H](O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116241 342470811 /nfs/dbraw/zinc/47/08/11/342470811.db2.gz IXWTUBGPUUUMRF-VIFPVBQESA-N 1 1 261.281 1.748 20 5 CDBDMO Cc1cnc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601185430 342489248 /nfs/dbraw/zinc/48/92/48/342489248.db2.gz UGILKWPLTCDBDV-NEPJUHHUSA-N 1 1 276.340 1.686 20 5 CDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600315524 342089545 /nfs/dbraw/zinc/08/95/45/342089545.db2.gz USFGPFBDGFKVST-JTQLQIEISA-N 1 1 295.343 1.088 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592191165 342674414 /nfs/dbraw/zinc/67/44/14/342674414.db2.gz AUBHTGGBWCTXBS-GFCCVEGCSA-N 1 1 294.355 1.825 20 5 CDBDMO CC[N@@H+](CCSC)CCn1ccc([N+](=O)[O-])n1 ZINC000592202375 342676634 /nfs/dbraw/zinc/67/66/34/342676634.db2.gz YLKUIFCQAMWRGJ-UHFFFAOYSA-N 1 1 258.347 1.476 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000592495894 342696959 /nfs/dbraw/zinc/69/69/59/342696959.db2.gz WEOWIPSJWGRJHV-LBPRGKRZSA-N 1 1 263.341 1.679 20 5 CDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593057669 342760436 /nfs/dbraw/zinc/76/04/36/342760436.db2.gz WBGOETXSELTDNE-LLVKDONJSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593061492 342761008 /nfs/dbraw/zinc/76/10/08/342761008.db2.gz CEVHLPLXADNQRV-PWSUYJOCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593061492 342761009 /nfs/dbraw/zinc/76/10/09/342761009.db2.gz CEVHLPLXADNQRV-PWSUYJOCSA-N 1 1 268.317 1.291 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000593065727 342761644 /nfs/dbraw/zinc/76/16/44/342761644.db2.gz ABUJYHVFDIEPFO-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000593065727 342761645 /nfs/dbraw/zinc/76/16/45/342761645.db2.gz ABUJYHVFDIEPFO-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO C[C@@H](CCO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593109021 342769261 /nfs/dbraw/zinc/76/92/61/342769261.db2.gz GHJYEZOGVNZRTN-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593109021 342769262 /nfs/dbraw/zinc/76/92/62/342769262.db2.gz GHJYEZOGVNZRTN-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109506 342769312 /nfs/dbraw/zinc/76/93/12/342769312.db2.gz ZHMMGTGDUYYDRD-NEPJUHHUSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188197 342776342 /nfs/dbraw/zinc/77/63/42/342776342.db2.gz YNWFADNVVCWSAV-GMTAPVOTSA-N 1 1 294.355 1.486 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342876987 361960151 /nfs/dbraw/zinc/96/01/51/361960151.db2.gz WSGHGHCJNXGZKK-UHFFFAOYSA-N 1 1 292.339 1.224 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000609383011 342264491 /nfs/dbraw/zinc/26/44/91/342264491.db2.gz ACJZCHACWBTJMH-JTQLQIEISA-N 1 1 280.328 1.005 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595389170 343053575 /nfs/dbraw/zinc/05/35/75/343053575.db2.gz MGBONODJYBBJBG-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595389170 343053576 /nfs/dbraw/zinc/05/35/76/343053576.db2.gz MGBONODJYBBJBG-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595447156 343053749 /nfs/dbraw/zinc/05/37/49/343053749.db2.gz GDNUNIZMGIFPLG-GXSJLCMTSA-N 1 1 285.300 1.175 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000619531676 349792706 /nfs/dbraw/zinc/79/27/06/349792706.db2.gz PXFPUANCGMGABB-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330581134 365702344 /nfs/dbraw/zinc/70/23/44/365702344.db2.gz QMXSGWLQFOPAIF-VXGBXAGGSA-N 1 1 281.360 1.206 20 5 CDBDMO CC(C)([NH2+]CCc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000595509067 343080466 /nfs/dbraw/zinc/08/04/66/343080466.db2.gz FJOVPOYOHJVDQH-UHFFFAOYSA-N 1 1 275.312 1.780 20 5 CDBDMO COC1([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])CCC1 ZINC000595543488 343094039 /nfs/dbraw/zinc/09/40/39/343094039.db2.gz KCSLHBVQKYSSMZ-VIFPVBQESA-N 1 1 269.301 1.938 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810898 343161123 /nfs/dbraw/zinc/16/11/23/343161123.db2.gz PKCVYLBMEXIOBZ-QWRGUYRKSA-N 1 1 263.297 1.098 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CC1(C)C ZINC000595913877 343190252 /nfs/dbraw/zinc/19/02/52/343190252.db2.gz VYMVQHZFTLMOPA-JTQLQIEISA-N 1 1 252.318 1.769 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596090477 343233847 /nfs/dbraw/zinc/23/38/47/343233847.db2.gz VXFOJOJRHDOZOV-JTQLQIEISA-N 1 1 280.328 1.839 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483302 343327904 /nfs/dbraw/zinc/32/79/04/343327904.db2.gz YOLNKFJBKGHVBJ-JTQLQIEISA-N 1 1 280.328 1.147 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977590 342446418 /nfs/dbraw/zinc/44/64/18/342446418.db2.gz PZFXHVQVBUPHHW-VIFPVBQESA-N 1 1 281.287 1.431 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCCO)C2)s1 ZINC000295029876 199308310 /nfs/dbraw/zinc/30/83/10/199308310.db2.gz VKUNBOJKCLUWKX-VIFPVBQESA-N 1 1 286.357 1.310 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000051383744 343605277 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C[C@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343418131 152165283 /nfs/dbraw/zinc/16/52/83/152165283.db2.gz BCNMMORPJRQPQP-CMPLNLGQSA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000346071757 153043486 /nfs/dbraw/zinc/04/34/86/153043486.db2.gz NRYCFCOBZGXCLQ-ZANVPECISA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000346071757 153043489 /nfs/dbraw/zinc/04/34/89/153043489.db2.gz NRYCFCOBZGXCLQ-ZANVPECISA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C2CC2)O1 ZINC000373401007 160197515 /nfs/dbraw/zinc/19/75/15/160197515.db2.gz UKIDXNCRKPYDNZ-ZWNOBZJWSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C2CC2)O1 ZINC000373401007 160197516 /nfs/dbraw/zinc/19/75/16/160197516.db2.gz UKIDXNCRKPYDNZ-ZWNOBZJWSA-N 1 1 280.328 1.291 20 5 CDBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685246 175230762 /nfs/dbraw/zinc/23/07/62/175230762.db2.gz CLOPDCAJJYTCCD-LBPRGKRZSA-N 1 1 261.325 1.921 20 5 CDBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685246 175230763 /nfs/dbraw/zinc/23/07/63/175230763.db2.gz CLOPDCAJJYTCCD-LBPRGKRZSA-N 1 1 261.325 1.921 20 5 CDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078640390 177364329 /nfs/dbraw/zinc/36/43/29/177364329.db2.gz ZORWOQLUSFHPDK-SSDOTTSWSA-N 1 1 278.355 1.179 20 5 CDBDMO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275510245 274370585 /nfs/dbraw/zinc/37/05/85/274370585.db2.gz MIPRJFUMXUNLSE-LLVKDONJSA-N 1 1 294.355 1.271 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000489926063 275041530 /nfs/dbraw/zinc/04/15/30/275041530.db2.gz TTYGRRNXWINGMC-MRVPVSSYSA-N 1 1 260.257 1.008 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000273705443 277070586 /nfs/dbraw/zinc/07/05/86/277070586.db2.gz DJYNFBGSJYVRLW-PWSUYJOCSA-N 1 1 277.328 1.305 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988560 279202140 /nfs/dbraw/zinc/20/21/40/279202140.db2.gz AXFOZVYSDHXMDE-LLVKDONJSA-N 1 1 294.355 1.907 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069699341 279576137 /nfs/dbraw/zinc/57/61/37/279576137.db2.gz KKFNFPQGYYLKSH-NSHDSACASA-N 1 1 265.313 1.098 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000193581630 280003093 /nfs/dbraw/zinc/00/30/93/280003093.db2.gz DSBDHPRTNZKHLX-PRHODGIISA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248940417 280396017 /nfs/dbraw/zinc/39/60/17/280396017.db2.gz NYGPFWHICODVBC-MNOVXSKESA-N 1 1 268.313 1.158 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000561614450 293095522 /nfs/dbraw/zinc/09/55/22/293095522.db2.gz MLBMJEJNWIPZGL-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000561614450 293095525 /nfs/dbraw/zinc/09/55/25/293095525.db2.gz MLBMJEJNWIPZGL-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO Cc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789478 294307503 /nfs/dbraw/zinc/30/75/03/294307503.db2.gz STPKECRRHGTNAF-JTQLQIEISA-N 1 1 277.328 1.011 20 5 CDBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938784 525848299 /nfs/dbraw/zinc/84/82/99/525848299.db2.gz MJUPPNLWXNXFKW-ZJUUUORDSA-N 1 1 268.317 1.064 20 5 CDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938784 525848304 /nfs/dbraw/zinc/84/83/04/525848304.db2.gz MJUPPNLWXNXFKW-ZJUUUORDSA-N 1 1 268.317 1.064 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000156273922 526078728 /nfs/dbraw/zinc/07/87/28/526078728.db2.gz DVAPPBJRWGHDOC-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H](C)O ZINC000156273922 526078740 /nfs/dbraw/zinc/07/87/40/526078740.db2.gz DVAPPBJRWGHDOC-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952196 526986408 /nfs/dbraw/zinc/98/64/08/526986408.db2.gz ILZHQVKYLLFVNI-BNOWGMLFSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952196 526986412 /nfs/dbraw/zinc/98/64/12/526986412.db2.gz ILZHQVKYLLFVNI-BNOWGMLFSA-N 1 1 289.335 1.681 20 5 CDBDMO CCCC[N@@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342173459 535225522 /nfs/dbraw/zinc/22/55/22/535225522.db2.gz YFFYGBZCKHAWIX-UHFFFAOYSA-N 1 1 294.355 1.838 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC1 ZINC000427022626 536885735 /nfs/dbraw/zinc/88/57/35/536885735.db2.gz XXYXOYPSMHJROS-UHFFFAOYSA-N 1 1 279.296 1.039 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c(F)c1 ZINC000741750731 576570255 /nfs/dbraw/zinc/57/02/55/576570255.db2.gz ZYHZEYWAERIUHH-UHFFFAOYSA-N 1 1 297.330 1.628 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351899 576677063 /nfs/dbraw/zinc/67/70/63/576677063.db2.gz YPTLGWQVSOYYQU-JTQLQIEISA-N 1 1 280.328 1.147 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000751940900 577076344 /nfs/dbraw/zinc/07/63/44/577076344.db2.gz ONJHXCVLJSXNED-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000751940900 577076346 /nfs/dbraw/zinc/07/63/46/577076346.db2.gz ONJHXCVLJSXNED-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO Cc1c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782623590 617528350 /nfs/dbraw/zinc/52/83/50/617528350.db2.gz ZGVZMWAZMXJTFK-GXTWGEPZSA-N 1 1 262.309 1.717 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632417 617533351 /nfs/dbraw/zinc/53/33/51/617533351.db2.gz KIFYXDSBALHJSK-OCCSQVGLSA-N 1 1 262.309 1.452 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776591993 617684850 /nfs/dbraw/zinc/68/48/50/617684850.db2.gz NXBQUGCHUYMRAL-BXUZGUMPSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1C1CC1 ZINC000892875633 617853241 /nfs/dbraw/zinc/85/32/41/617853241.db2.gz HHEPYFUTWGSHJL-BDAKNGLRSA-N 1 1 265.317 1.365 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000893871297 618114992 /nfs/dbraw/zinc/11/49/92/618114992.db2.gz JENKVCTWVWDNLF-LHRNQBEKSA-N 1 1 289.335 1.818 20 5 CDBDMO Cc1cc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000893940334 618203209 /nfs/dbraw/zinc/20/32/09/618203209.db2.gz MVXLZKUUIRJNAO-JQWIXIFHSA-N 1 1 262.313 1.439 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000894476608 618910197 /nfs/dbraw/zinc/91/01/97/618910197.db2.gz QTGWUFKDTGKFCE-SECBINFHSA-N 1 1 267.333 1.613 20 5 CDBDMO CCC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594044 618985844 /nfs/dbraw/zinc/98/58/44/618985844.db2.gz YCRPLBLCTKBSIP-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928562077 619387918 /nfs/dbraw/zinc/38/79/18/619387918.db2.gz DIVCEMYJBNJGMG-JTQLQIEISA-N 1 1 281.287 1.476 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928562077 619387921 /nfs/dbraw/zinc/38/79/21/619387921.db2.gz DIVCEMYJBNJGMG-JTQLQIEISA-N 1 1 281.287 1.476 20 5 CDBDMO CC[NH+](CC)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905052657 626387667 /nfs/dbraw/zinc/38/76/67/626387667.db2.gz SGGSCJKNTXTBAU-UHFFFAOYSA-N 1 1 265.357 1.895 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccccc1Cl ZINC000905105559 626622024 /nfs/dbraw/zinc/62/20/24/626622024.db2.gz LTEJESBITSPGFU-SNVBAGLBSA-N 1 1 283.715 1.312 20 5 CDBDMO C[C@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152495 626638244 /nfs/dbraw/zinc/63/82/44/626638244.db2.gz DXTVJBZLIAKMGU-ZFWWWQNUSA-N 1 1 277.368 1.906 20 5 CDBDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905179690 626663397 /nfs/dbraw/zinc/66/33/97/626663397.db2.gz LLTWXFAEEZRSIZ-NSHDSACASA-N 1 1 286.353 1.105 20 5 CDBDMO Cn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809783609 678879550 /nfs/dbraw/zinc/87/95/50/678879550.db2.gz JJFGRKJYSPXEIY-UHFFFAOYSA-N 1 1 281.703 1.667 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881960197 678950490 /nfs/dbraw/zinc/95/04/90/678950490.db2.gz IFKURVBFEBJRDA-VIFPVBQESA-N 1 1 268.292 1.883 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147300 678983844 /nfs/dbraw/zinc/98/38/44/678983844.db2.gz ORIXQFNMTYVAKX-GFCCVEGCSA-N 1 1 251.286 1.337 20 5 CDBDMO COCCCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886249560 677712372 /nfs/dbraw/zinc/71/23/72/677712372.db2.gz NHLRPMLXSMIUTQ-UHFFFAOYSA-N 1 1 253.302 1.848 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000852702190 677862378 /nfs/dbraw/zinc/86/23/78/677862378.db2.gz HXLGALBLARMVQO-UGFHNGPFSA-N 1 1 294.351 1.579 20 5 CDBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928555720 677700387 /nfs/dbraw/zinc/70/03/87/677700387.db2.gz PHMOVCWIRPLSJD-VIFPVBQESA-N 1 1 297.742 1.991 20 5 CDBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928555720 677700388 /nfs/dbraw/zinc/70/03/88/677700388.db2.gz PHMOVCWIRPLSJD-VIFPVBQESA-N 1 1 297.742 1.991 20 5 CDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882678244 677830779 /nfs/dbraw/zinc/83/07/79/677830779.db2.gz PAAKUGMZECTQIE-VIFPVBQESA-N 1 1 298.318 1.386 20 5 CDBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829019329 677911982 /nfs/dbraw/zinc/91/19/82/677911982.db2.gz FPRPOYGSAPMSID-PHIMTYICSA-N 1 1 294.355 1.068 20 5 CDBDMO CC(C)(CO)[C@H]([NH2+]CC[N+](=O)[O-])c1cccnc1 ZINC000930575364 677969478 /nfs/dbraw/zinc/96/94/78/677969478.db2.gz IWSZUYBLCUUHFE-LLVKDONJSA-N 1 1 253.302 1.008 20 5 CDBDMO C[C@H]1CCN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000791051403 678073526 /nfs/dbraw/zinc/07/35/26/678073526.db2.gz CLFOJWWWQAPYNH-AWEZNQCLSA-N 1 1 277.368 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000847014487 678128324 /nfs/dbraw/zinc/12/83/24/678128324.db2.gz JWYBFLDGUVLZMH-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853488898 678338386 /nfs/dbraw/zinc/33/83/86/678338386.db2.gz BDIQWDDERALART-UHFFFAOYSA-N 1 1 273.296 1.905 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853488898 678338390 /nfs/dbraw/zinc/33/83/90/678338390.db2.gz BDIQWDDERALART-UHFFFAOYSA-N 1 1 273.296 1.905 20 5 CDBDMO COCCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000066371174 678394268 /nfs/dbraw/zinc/39/42/68/678394268.db2.gz BNRPWXQWSNXZHI-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000842627514 678434847 /nfs/dbraw/zinc/43/48/47/678434847.db2.gz RSEPLANLMGDQLD-CQSZACIVSA-N 1 1 290.323 1.588 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000842627514 678434849 /nfs/dbraw/zinc/43/48/49/678434849.db2.gz RSEPLANLMGDQLD-CQSZACIVSA-N 1 1 290.323 1.588 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177225044 678502789 /nfs/dbraw/zinc/50/27/89/678502789.db2.gz CLTMNCAAVRIBGB-ZDUSSCGKSA-N 1 1 296.327 1.251 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177225044 678502798 /nfs/dbraw/zinc/50/27/98/678502798.db2.gz CLTMNCAAVRIBGB-ZDUSSCGKSA-N 1 1 296.327 1.251 20 5 CDBDMO Nc1ccc(-c2noc([C@@H]([NH3+])CC(F)F)n2)cc1[N+](=O)[O-] ZINC000843169300 678644264 /nfs/dbraw/zinc/64/42/64/678644264.db2.gz AAKDZGWRAXWFIS-ZETCQYMHSA-N 1 1 299.237 1.882 20 5 CDBDMO CCOC(=O)CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000848500868 678680639 /nfs/dbraw/zinc/68/06/39/678680639.db2.gz BQJZPXUZHOHYLC-UHFFFAOYSA-N 1 1 298.343 1.721 20 5 CDBDMO CCOC(=O)CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000848500868 678680642 /nfs/dbraw/zinc/68/06/42/678680642.db2.gz BQJZPXUZHOHYLC-UHFFFAOYSA-N 1 1 298.343 1.721 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840120766 678716620 /nfs/dbraw/zinc/71/66/20/678716620.db2.gz OFEBYNABHPCFJG-OUCADQQQSA-N 1 1 294.355 1.683 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C/C=C\CO)c1 ZINC000717524597 678722569 /nfs/dbraw/zinc/72/25/69/678722569.db2.gz FLBWLJXPTDSTRT-UPHRSURJSA-N 1 1 256.689 1.886 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000930299096 678729843 /nfs/dbraw/zinc/72/98/43/678729843.db2.gz BCCHSKAEWUPDGL-YNEHKIRRSA-N 1 1 256.346 1.669 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000929809185 678780185 /nfs/dbraw/zinc/78/01/85/678780185.db2.gz KRWPHQLKXHWRML-MNOVXSKESA-N 1 1 270.354 1.913 20 5 CDBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000839469928 678797502 /nfs/dbraw/zinc/79/75/02/678797502.db2.gz DKIPWAMQABXFDY-ZIAGYGMSSA-N 1 1 291.351 1.290 20 5 CDBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839469928 678797504 /nfs/dbraw/zinc/79/75/04/678797504.db2.gz DKIPWAMQABXFDY-ZIAGYGMSSA-N 1 1 291.351 1.290 20 5 CDBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839469928 678797506 /nfs/dbraw/zinc/79/75/06/678797506.db2.gz DKIPWAMQABXFDY-ZIAGYGMSSA-N 1 1 291.351 1.290 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823247750 678820088 /nfs/dbraw/zinc/82/00/88/678820088.db2.gz RUFAKAPLGVWZDA-LBPRGKRZSA-N 1 1 285.388 1.813 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000930066325 678855671 /nfs/dbraw/zinc/85/56/71/678855671.db2.gz DSGIFSRXHDTYCP-UONOGXRCSA-N 1 1 282.315 1.990 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000883162675 678860196 /nfs/dbraw/zinc/86/01/96/678860196.db2.gz AEJOCVUKZFTLRP-CYBMUJFWSA-N 1 1 292.339 1.488 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000886116970 678860960 /nfs/dbraw/zinc/86/09/60/678860960.db2.gz WIRPIBVFJFCPOZ-AAEUAGOBSA-N 1 1 279.340 1.973 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879962382 678937919 /nfs/dbraw/zinc/93/79/19/678937919.db2.gz QMLLOJAFBVITRE-LLVKDONJSA-N 1 1 282.344 1.274 20 5 CDBDMO COc1cc(Cc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000822863970 678978159 /nfs/dbraw/zinc/97/81/59/678978159.db2.gz WFLDXPDHVLAEOJ-UHFFFAOYSA-N 1 1 264.241 1.036 20 5 CDBDMO CC[S@](=O)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877042559 679036576 /nfs/dbraw/zinc/03/65/76/679036576.db2.gz YISVQVWXKHFFGR-FQEVSTJZSA-N 1 1 297.336 1.594 20 5 CDBDMO CCC(CC)C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789977 679049725 /nfs/dbraw/zinc/04/97/25/679049725.db2.gz ZRMKFGYXGDLPIF-ZIAGYGMSSA-N 1 1 297.399 1.668 20 5 CDBDMO C[N@H+](CC1=CCCOC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852519328 679093216 /nfs/dbraw/zinc/09/32/16/679093216.db2.gz YZHIANGNMZNZGU-HNNXBMFYSA-N 1 1 292.335 1.907 20 5 CDBDMO Cc1nccc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000929297129 679198126 /nfs/dbraw/zinc/19/81/26/679198126.db2.gz UTIMWMSAPVLRJU-LLVKDONJSA-N 1 1 250.302 1.241 20 5 CDBDMO Cc1nccc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000929297129 679198129 /nfs/dbraw/zinc/19/81/29/679198129.db2.gz UTIMWMSAPVLRJU-LLVKDONJSA-N 1 1 250.302 1.241 20 5 CDBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278645 1158555802 /nfs/dbraw/zinc/55/58/02/1158555802.db2.gz PLGOGGKDPYVPFJ-LBPRGKRZSA-N 1 1 293.323 1.426 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852559410 679489351 /nfs/dbraw/zinc/48/93/51/679489351.db2.gz QPDULBYOPXPJMO-BXKDBHETSA-N 1 1 295.295 1.848 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852559410 679489352 /nfs/dbraw/zinc/48/93/52/679489352.db2.gz QPDULBYOPXPJMO-BXKDBHETSA-N 1 1 295.295 1.848 20 5 CDBDMO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525265 679594310 /nfs/dbraw/zinc/59/43/10/679594310.db2.gz QVOJLUZBVXTQLA-NZEXEKPDSA-N 1 1 281.356 1.031 20 5 CDBDMO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525265 679594313 /nfs/dbraw/zinc/59/43/13/679594313.db2.gz QVOJLUZBVXTQLA-NZEXEKPDSA-N 1 1 281.356 1.031 20 5 CDBDMO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525265 679594315 /nfs/dbraw/zinc/59/43/15/679594315.db2.gz QVOJLUZBVXTQLA-NZEXEKPDSA-N 1 1 281.356 1.031 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553783 679598619 /nfs/dbraw/zinc/59/86/19/679598619.db2.gz FBTDTNJSCLGVGC-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553783 679598623 /nfs/dbraw/zinc/59/86/23/679598623.db2.gz FBTDTNJSCLGVGC-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO COC(=O)C[C@](C)([NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000930250433 679630663 /nfs/dbraw/zinc/63/06/63/679630663.db2.gz JULSIBAWSGYGLG-AWEZNQCLSA-N 1 1 296.323 1.340 20 5 CDBDMO C[C@@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590265372 1173329316 /nfs/dbraw/zinc/32/93/16/1173329316.db2.gz SMVPZTVLULNDNH-SECBINFHSA-N 1 1 288.311 1.759 20 5 CDBDMO COc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001164639329 719186988 /nfs/dbraw/zinc/18/69/88/719186988.db2.gz RSYDDPDERVGKBX-NXEZZACHSA-N 1 1 280.328 1.527 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164643159 719188432 /nfs/dbraw/zinc/18/84/32/719188432.db2.gz ZWACLEAJJFEAMI-DTWKUNHWSA-N 1 1 265.317 1.222 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164643159 719188437 /nfs/dbraw/zinc/18/84/37/719188437.db2.gz ZWACLEAJJFEAMI-DTWKUNHWSA-N 1 1 265.317 1.222 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634807 719212957 /nfs/dbraw/zinc/21/29/57/719212957.db2.gz HBDODGNNLLUGEC-IUCAKERBSA-N 1 1 265.317 1.101 20 5 CDBDMO Cc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000590696186 719249631 /nfs/dbraw/zinc/24/96/31/719249631.db2.gz HKFYNADNVJZKCR-DTWKUNHWSA-N 1 1 265.317 1.222 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164667991 719372599 /nfs/dbraw/zinc/37/25/99/719372599.db2.gz MKTYNTONIGOSQD-NXEZZACHSA-N 1 1 298.730 1.162 20 5 CDBDMO COc1cc(NCCn2cc[nH+]c2C)ncc1[N+](=O)[O-] ZINC001156007115 1167283072 /nfs/dbraw/zinc/28/30/72/1167283072.db2.gz JVFWTVLMCMAZPM-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO Cc1c(O[C@@H]2C[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC001218233035 898498231 /nfs/dbraw/zinc/49/82/31/898498231.db2.gz XGEXAFKQKLUQJO-SNVBAGLBSA-N 1 1 258.224 1.889 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222791763 900460256 /nfs/dbraw/zinc/46/02/56/900460256.db2.gz UZZSDBSUMAXYCW-CQSZACIVSA-N 1 1 280.324 1.832 20 5 CDBDMO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932076 909883673 /nfs/dbraw/zinc/88/36/73/909883673.db2.gz HGYXCIQYHVXTOY-ZIAGYGMSSA-N 1 1 291.351 1.120 20 5 CDBDMO O=C(NCC[NH2+]CC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936572 909936216 /nfs/dbraw/zinc/93/62/16/909936216.db2.gz LYRSFAOAWVLYGI-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO CC1(C)CCC(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001126936934 909942162 /nfs/dbraw/zinc/94/21/62/909942162.db2.gz XONZDADKUYJCKZ-CHWSQXEVSA-N 1 1 297.399 1.574 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC001168956795 927576920 /nfs/dbraw/zinc/57/69/20/927576920.db2.gz FLTSJSAYLWNBFM-CHWSQXEVSA-N 1 1 255.362 1.507 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001169007707 927611021 /nfs/dbraw/zinc/61/10/21/927611021.db2.gz PTSKTVDJNQGVBS-GXTWGEPZSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(C3COC3)CC2)C1 ZINC001169006783 927612113 /nfs/dbraw/zinc/61/21/13/927612113.db2.gz YXFJROABDPBEPV-UONOGXRCSA-N 1 1 297.399 1.132 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@H]1O ZINC001169010581 927616271 /nfs/dbraw/zinc/61/62/71/927616271.db2.gz DUTALOKRFXLJOE-YVECIDJPSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011551 927617166 /nfs/dbraw/zinc/61/71/66/927617166.db2.gz KWLYGGYVEKXIGK-BJDJZHNGSA-N 1 1 278.299 1.176 20 5 CDBDMO C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013425 927619982 /nfs/dbraw/zinc/61/99/82/927619982.db2.gz UYBICCBBGNKFFC-VOAKCMCISA-N 1 1 256.346 1.525 20 5 CDBDMO COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033302 927640372 /nfs/dbraw/zinc/64/03/72/927640372.db2.gz BSRCZECEYYJWGV-NDBYEHHHSA-N 1 1 284.356 1.705 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169034259 927641796 /nfs/dbraw/zinc/64/17/96/927641796.db2.gz GKQVKUDPUOSMLT-MWLCHTKSSA-N 1 1 250.302 1.181 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169034259 927641801 /nfs/dbraw/zinc/64/18/01/927641801.db2.gz GKQVKUDPUOSMLT-MWLCHTKSSA-N 1 1 250.302 1.181 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037036 927648137 /nfs/dbraw/zinc/64/81/37/927648137.db2.gz HYMCIFAOVXRROA-RWMBFGLXSA-N 1 1 256.346 1.931 20 5 CDBDMO CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050610 927669858 /nfs/dbraw/zinc/66/98/58/927669858.db2.gz BYIVNGXZLGEHDF-REWJHTLYSA-N 1 1 295.383 1.375 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000886268862 930846215 /nfs/dbraw/zinc/84/62/15/930846215.db2.gz DFXNHGASODFVJG-GFCCVEGCSA-N 1 1 265.313 1.727 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC001119818792 937758115 /nfs/dbraw/zinc/75/81/15/937758115.db2.gz ALGCBFCOZDSCJK-UHFFFAOYSA-N 1 1 282.315 1.472 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001157009016 938446192 /nfs/dbraw/zinc/44/61/92/938446192.db2.gz DDMWOJYDHRKKCM-LLVKDONJSA-N 1 1 264.329 1.909 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157264547 938471876 /nfs/dbraw/zinc/47/18/76/938471876.db2.gz FGDGLYUIUAPPHR-JQWIXIFHSA-N 1 1 277.328 1.224 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CC[C@H]3C2)c(F)c1 ZINC001158422690 938621870 /nfs/dbraw/zinc/62/18/70/938621870.db2.gz FHNUWZJXOUPDKW-QMMMGPOBSA-N 1 1 252.249 1.023 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CC[C@H]3C2)c(F)c1 ZINC001158422690 938621872 /nfs/dbraw/zinc/62/18/72/938621872.db2.gz FHNUWZJXOUPDKW-QMMMGPOBSA-N 1 1 252.249 1.023 20 5 CDBDMO CC[N@H+]1CCN(c2ncnc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562418 938636845 /nfs/dbraw/zinc/63/68/45/938636845.db2.gz BWLNMZAQAYQUHI-UHFFFAOYSA-N 1 1 295.343 1.314 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001159743074 938748805 /nfs/dbraw/zinc/74/88/05/938748805.db2.gz BYFNVNZIHVJSPQ-VIFPVBQESA-N 1 1 295.126 1.766 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001159779648 938752106 /nfs/dbraw/zinc/75/21/06/938752106.db2.gz GXUZFTHQNYUKAY-SSDOTTSWSA-N 1 1 259.697 1.079 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336397 939027313 /nfs/dbraw/zinc/02/73/13/939027313.db2.gz ATBMEGUYJZTHLA-LBPRGKRZSA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001165149292 939518935 /nfs/dbraw/zinc/51/89/35/939518935.db2.gz OLYJTMMEMOTDKG-DTORHVGOSA-N 1 1 297.746 1.344 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C[C@H]1C ZINC001165199200 939523074 /nfs/dbraw/zinc/52/30/74/939523074.db2.gz XWKVBLZTVTVZCB-LLVKDONJSA-N 1 1 280.328 1.147 20 5 CDBDMO C[N@@H+]1CCO[C@H](COCc2cccc([N+](=O)[O-])c2)C1 ZINC001222770713 941632929 /nfs/dbraw/zinc/63/29/29/941632929.db2.gz KASSIIIVWSRWHQ-ZDUSSCGKSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@H](COCc2cccc([N+](=O)[O-])c2)C1 ZINC001222770713 941632930 /nfs/dbraw/zinc/63/29/30/941632930.db2.gz KASSIIIVWSRWHQ-ZDUSSCGKSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693645 942205463 /nfs/dbraw/zinc/20/54/63/942205463.db2.gz XDWWMFABGJEPJL-MRVPVSSYSA-N 1 1 277.284 1.339 20 5 CDBDMO C[N@@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227693645 942205469 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Cc1cccc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](C)CC1 ZINC001262680804 943667997 /nfs/dbraw/zinc/66/79/97/943667997.db2.gz QFBBBMHCXYGDQV-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO O=[N+]([O-])c1cc(O[C@@H]2CCc3[nH+]ccn3C2)ccn1 ZINC001233859222 943674708 /nfs/dbraw/zinc/67/47/08/943674708.db2.gz JSHBNZVJVLYZLE-SNVBAGLBSA-N 1 1 260.253 1.580 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CC[C@@H]2C1 ZINC001254568500 947529988 /nfs/dbraw/zinc/52/99/88/947529988.db2.gz GJLARHLDAYNHSZ-GXTWGEPZSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592734 947542877 /nfs/dbraw/zinc/54/28/77/947542877.db2.gz GHMHFOUCQPNNKC-VCTAVGKDSA-N 1 1 276.336 1.765 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](F)[C@@H](O)C1)C2 ZINC001254597935 947545922 /nfs/dbraw/zinc/54/59/22/947545922.db2.gz JMLMZPFUKTUSML-RDBSUJKOSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1CO)C2 ZINC001254601089 947548791 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C[C@]1(O)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000124952135 187162811 /nfs/dbraw/zinc/16/28/11/187162811.db2.gz MRLMAUVIBFWWQP-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000609175379 342093052 /nfs/dbraw/zinc/09/30/52/342093052.db2.gz SCQOYHJQYHDMEP-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000593108734 342769064 /nfs/dbraw/zinc/76/90/64/342769064.db2.gz ZJXBGFRTYPCQDO-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)CCO ZINC000593108734 342769066 /nfs/dbraw/zinc/76/90/66/342769066.db2.gz ZJXBGFRTYPCQDO-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](OC3CCC3)C2)n1 ZINC000594026745 342867792 /nfs/dbraw/zinc/86/77/92/342867792.db2.gz ODPOKXGJARAFQB-CYBMUJFWSA-N 1 1 294.355 1.825 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000593986612 342860690 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C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876230 343178074 /nfs/dbraw/zinc/17/80/74/343178074.db2.gz RCFAWCDEWVPLTR-IUODEOHRSA-N 1 1 294.351 1.924 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596136476 343240118 /nfs/dbraw/zinc/24/01/18/343240118.db2.gz IEPUXRNRXPKEID-UHFFFAOYSA-N 1 1 290.327 1.391 20 5 CDBDMO CC1(C)CCC[N@@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596213111 343268253 /nfs/dbraw/zinc/26/82/53/343268253.db2.gz SBZYMFHFOWPIDO-UHFFFAOYSA-N 1 1 293.371 1.528 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926098 343664049 /nfs/dbraw/zinc/66/40/49/343664049.db2.gz VBYAFHQFXYRQCE-SECBINFHSA-N 1 1 280.328 1.526 20 5 CDBDMO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599140564 343959881 /nfs/dbraw/zinc/95/98/81/343959881.db2.gz VUKQGDAXOODREF-LLVKDONJSA-N 1 1 281.360 1.781 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672371 344114479 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CC(C)NC(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051855789 345205767 /nfs/dbraw/zinc/20/57/67/345205767.db2.gz UOIWPHPUGRCTPH-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092938240 345627112 /nfs/dbraw/zinc/62/71/12/345627112.db2.gz OXDSHUMOTFHICI-GFCCVEGCSA-N 1 1 279.340 1.826 20 5 CDBDMO Cc1nc(NC[C@H]2CCc3[nH+]ccn3C2)ncc1[N+](=O)[O-] ZINC000295122805 199356833 /nfs/dbraw/zinc/35/68/33/199356833.db2.gz WZDPGSBLJPZCOJ-SNVBAGLBSA-N 1 1 288.311 1.564 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000295577289 199572138 /nfs/dbraw/zinc/57/21/38/199572138.db2.gz ZDMOESJXWKKAIB-UHFFFAOYSA-N 1 1 281.312 1.169 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@@H]21 ZINC000610808008 346444106 /nfs/dbraw/zinc/44/41/06/346444106.db2.gz OLGILFAOPVFTHQ-AAEUAGOBSA-N 1 1 276.340 1.910 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000611082429 346601254 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C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760608 392492430 /nfs/dbraw/zinc/49/24/30/392492430.db2.gz VDCNFQPASODFGG-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023827 392766797 /nfs/dbraw/zinc/76/67/97/392766797.db2.gz WGUUPYVNKDDWCL-PWSUYJOCSA-N 1 1 277.328 1.305 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1 ZINC000423197383 397602482 /nfs/dbraw/zinc/60/24/82/397602482.db2.gz ZERNPAOSDGRJKV-DGCLKSJQSA-N 1 1 263.341 1.867 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310839305 149203436 /nfs/dbraw/zinc/20/34/36/149203436.db2.gz LYNYPCQZKPYJND-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310839305 149203438 /nfs/dbraw/zinc/20/34/38/149203438.db2.gz LYNYPCQZKPYJND-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000375356532 160372338 /nfs/dbraw/zinc/37/23/38/160372338.db2.gz RCHXHVCVZQMCKV-QWHCGFSZSA-N 1 1 280.328 1.435 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375386361 160375614 /nfs/dbraw/zinc/37/56/14/160375614.db2.gz HDRBQZIJVHYSGJ-PWSUYJOCSA-N 1 1 280.328 1.472 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375386361 160375615 /nfs/dbraw/zinc/37/56/15/160375615.db2.gz HDRBQZIJVHYSGJ-PWSUYJOCSA-N 1 1 280.328 1.472 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCC1 ZINC000359554884 158285666 /nfs/dbraw/zinc/28/56/66/158285666.db2.gz YYFLJRFJFKMZKT-UHFFFAOYSA-N 1 1 253.306 1.237 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097785 159296087 /nfs/dbraw/zinc/29/60/87/159296087.db2.gz KECKGDFHAVPLBS-TZMCWYRMSA-N 1 1 289.335 1.951 20 5 CDBDMO Cn1cc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000371825472 160054681 /nfs/dbraw/zinc/05/46/81/160054681.db2.gz VBSKLZVTJUYVEB-JTQLQIEISA-N 1 1 290.327 1.051 20 5 CDBDMO Cn1cc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000371825472 160054683 /nfs/dbraw/zinc/05/46/83/160054683.db2.gz VBSKLZVTJUYVEB-JTQLQIEISA-N 1 1 290.327 1.051 20 5 CDBDMO COc1ccc(CN2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000044514342 175189586 /nfs/dbraw/zinc/18/95/86/175189586.db2.gz QEFNCDWBZGUNOJ-UHFFFAOYSA-N 1 1 279.340 1.774 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@H]1OC ZINC000459835191 270397626 /nfs/dbraw/zinc/39/76/26/270397626.db2.gz WYTUKRAIEJBKMP-WCQYABFASA-N 1 1 282.296 1.107 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795118 274395063 /nfs/dbraw/zinc/39/50/63/274395063.db2.gz ZAUYEQCUJISKJM-ZJUUUORDSA-N 1 1 250.302 1.884 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000158423269 275041402 /nfs/dbraw/zinc/04/14/02/275041402.db2.gz XKBRWLFXJDZZKR-NXEZZACHSA-N 1 1 263.301 1.424 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000040454704 279142470 /nfs/dbraw/zinc/14/24/70/279142470.db2.gz RJQBWJBGKUHNIB-VIFPVBQESA-N 1 1 263.301 1.281 20 5 CDBDMO COCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066865602 279201291 /nfs/dbraw/zinc/20/12/91/279201291.db2.gz HJDGJRMSJKUZJX-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108346997 279306305 /nfs/dbraw/zinc/30/63/05/279306305.db2.gz HYWOTYMDJLHZAN-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000193581661 280003241 /nfs/dbraw/zinc/00/32/41/280003241.db2.gz DSBDHPRTNZKHLX-UFBFGSQYSA-N 1 1 281.287 1.348 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC000182632194 281019755 /nfs/dbraw/zinc/01/97/55/281019755.db2.gz LKXWIVRIRQFMJB-LLVKDONJSA-N 1 1 279.340 1.984 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000182632194 281019758 /nfs/dbraw/zinc/01/97/58/281019758.db2.gz LKXWIVRIRQFMJB-LLVKDONJSA-N 1 1 279.340 1.984 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+](C)C1CC1 ZINC000551117966 290000703 /nfs/dbraw/zinc/00/07/03/290000703.db2.gz AJBLRJAEQCOSTI-VIFPVBQESA-N 1 1 280.328 1.146 20 5 CDBDMO CC(=O)NCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000582783818 325042469 /nfs/dbraw/zinc/04/24/69/325042469.db2.gz UNNVSHSVGOQOCQ-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029938033 327051882 /nfs/dbraw/zinc/05/18/82/327051882.db2.gz BVORQCRSUJPPOS-UHFFFAOYSA-N 1 1 286.291 1.689 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000584170527 327056335 /nfs/dbraw/zinc/05/63/35/327056335.db2.gz VWIYGBICSLONCD-LBPRGKRZSA-N 1 1 287.323 1.713 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000584170527 327056336 /nfs/dbraw/zinc/05/63/36/327056336.db2.gz VWIYGBICSLONCD-LBPRGKRZSA-N 1 1 287.323 1.713 20 5 CDBDMO Cc1nc(Cl)nc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000302677402 1159846825 /nfs/dbraw/zinc/84/68/25/1159846825.db2.gz OGADIRAVIYHIMG-ZETCQYMHSA-N 1 1 272.692 1.430 20 5 CDBDMO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967193 1161996212 /nfs/dbraw/zinc/99/62/12/1161996212.db2.gz OANCNBYXMWASNI-UPJWGTAASA-N 1 1 286.372 1.999 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708064 523815612 /nfs/dbraw/zinc/81/56/12/523815612.db2.gz LLIUQFYZSRQHPS-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000050708659 527504393 /nfs/dbraw/zinc/50/43/93/527504393.db2.gz UFIXISIPBKUSKG-VIFPVBQESA-N 1 1 290.323 1.144 20 5 CDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000427378452 536094534 /nfs/dbraw/zinc/09/45/34/536094534.db2.gz CKBGWQCQEOEUEF-VHSXEESVSA-N 1 1 295.343 1.024 20 5 CDBDMO COCC1(C)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000773256179 575795369 /nfs/dbraw/zinc/79/53/69/575795369.db2.gz RMHADBPFIFFOAY-UHFFFAOYSA-N 1 1 268.317 1.497 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773258558 575795404 /nfs/dbraw/zinc/79/54/04/575795404.db2.gz GUFFNHXCAFNCCG-STQMWFEESA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000773258558 575795405 /nfs/dbraw/zinc/79/54/05/575795405.db2.gz GUFFNHXCAFNCCG-STQMWFEESA-N 1 1 294.355 1.887 20 5 CDBDMO Cc1nn(C)c(NCC[N@@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742425160 576602145 /nfs/dbraw/zinc/60/21/45/576602145.db2.gz LDBMMQSJVOADBC-SECBINFHSA-N 1 1 267.333 1.533 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000750050085 576973609 /nfs/dbraw/zinc/97/36/09/576973609.db2.gz ALANKIOREVJXIE-SWLSCSKDSA-N 1 1 294.351 1.723 20 5 CDBDMO CCCC[N@@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892491729 617424013 /nfs/dbraw/zinc/42/40/13/617424013.db2.gz GOSREXFWFLXWRW-UHFFFAOYSA-N 1 1 255.322 1.472 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000891581456 617488010 /nfs/dbraw/zinc/48/80/10/617488010.db2.gz IUVAECKDSUVCMK-LLVKDONJSA-N 1 1 296.323 1.920 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000891581456 617488013 /nfs/dbraw/zinc/48/80/13/617488013.db2.gz IUVAECKDSUVCMK-LLVKDONJSA-N 1 1 296.323 1.920 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893872157 618116518 /nfs/dbraw/zinc/11/65/18/618116518.db2.gz QPBBHHNTJNDWFD-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CC[N@H+]2C)c1F ZINC000928554637 619361421 /nfs/dbraw/zinc/36/14/21/619361421.db2.gz IGKNALUHTQCDGB-QMMMGPOBSA-N 1 1 299.277 1.615 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1F ZINC000928554637 619361425 /nfs/dbraw/zinc/36/14/25/619361425.db2.gz IGKNALUHTQCDGB-QMMMGPOBSA-N 1 1 299.277 1.615 20 5 CDBDMO Cc1cnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246642 619492075 /nfs/dbraw/zinc/49/20/75/619492075.db2.gz OOTRGYCENRVFSG-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246810 619493194 /nfs/dbraw/zinc/49/31/94/619493194.db2.gz QJFWWTUNAVMLGU-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000895246810 619493198 /nfs/dbraw/zinc/49/31/98/619493198.db2.gz QJFWWTUNAVMLGU-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246810 619493203 /nfs/dbraw/zinc/49/32/03/619493203.db2.gz QJFWWTUNAVMLGU-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246810 619493206 /nfs/dbraw/zinc/49/32/06/619493206.db2.gz QJFWWTUNAVMLGU-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO CC[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000882959270 619620028 /nfs/dbraw/zinc/62/00/28/619620028.db2.gz AAHBAEFDHFFRNV-QMMMGPOBSA-N 1 1 254.265 1.635 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000882959270 619620029 /nfs/dbraw/zinc/62/00/29/619620029.db2.gz AAHBAEFDHFFRNV-QMMMGPOBSA-N 1 1 254.265 1.635 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3C[C@H](CO)C3)c2c1 ZINC000896695645 620204411 /nfs/dbraw/zinc/20/44/11/620204411.db2.gz YNKNPJPSDPVDIC-MGCOHNPYSA-N 1 1 273.292 1.748 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000902544006 624906649 /nfs/dbraw/zinc/90/66/49/624906649.db2.gz VJHZHMWTRLXEHR-LBPRGKRZSA-N 1 1 281.360 1.411 20 5 CDBDMO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905066841 626614355 /nfs/dbraw/zinc/61/43/55/626614355.db2.gz UENKVEIDLDNEPW-NSHDSACASA-N 1 1 255.318 1.529 20 5 CDBDMO Cc1ccc(C2=NO[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905247068 626702729 /nfs/dbraw/zinc/70/27/29/626702729.db2.gz LKABRSBNRUCKHM-GFCCVEGCSA-N 1 1 263.297 1.354 20 5 CDBDMO CC1=CC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000828499379 682460649 /nfs/dbraw/zinc/46/06/49/682460649.db2.gz WZFUSKIBZRYUKE-UHFFFAOYSA-N 1 1 283.372 1.590 20 5 CDBDMO Cc1nn(CN(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817375335 679731419 /nfs/dbraw/zinc/73/14/19/679731419.db2.gz SQYUQJAMEZHTHH-NSHDSACASA-N 1 1 267.333 1.083 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000872772037 679738031 /nfs/dbraw/zinc/73/80/31/679738031.db2.gz OFASMAMACDLUQF-LBPRGKRZSA-N 1 1 294.355 1.821 20 5 CDBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000872772037 679738032 /nfs/dbraw/zinc/73/80/32/679738032.db2.gz OFASMAMACDLUQF-LBPRGKRZSA-N 1 1 294.355 1.821 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632862 679743453 /nfs/dbraw/zinc/74/34/53/679743453.db2.gz LXZILBGCRXRJAZ-RISCZKNCSA-N 1 1 278.308 1.288 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000827573970 679750196 /nfs/dbraw/zinc/75/01/96/679750196.db2.gz QORRHSQAOKVLFH-RYUDHWBXSA-N 1 1 285.388 1.763 20 5 CDBDMO COC1(C)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886113890 679767089 /nfs/dbraw/zinc/76/70/89/679767089.db2.gz CJOWGBUGUMWINS-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000776581395 681808193 /nfs/dbraw/zinc/80/81/93/681808193.db2.gz DGBMBZPQSGZUPQ-QWHCGFSZSA-N 1 1 266.297 1.085 20 5 CDBDMO COCCCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842171041 681844982 /nfs/dbraw/zinc/84/49/82/681844982.db2.gz HUFAKNFNQYXRTQ-CQSZACIVSA-N 1 1 282.340 1.987 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000712540913 681987542 /nfs/dbraw/zinc/98/75/42/681987542.db2.gz COKOMEYHYQDVSA-ZETCQYMHSA-N 1 1 267.314 1.420 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000886081079 682015111 /nfs/dbraw/zinc/01/51/11/682015111.db2.gz IPJOHDQHWONLGC-WCQYABFASA-N 1 1 277.324 1.848 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC000110921627 682053594 /nfs/dbraw/zinc/05/35/94/682053594.db2.gz ZDPVOVZMHXVXJM-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC000110921627 682053598 /nfs/dbraw/zinc/05/35/98/682053598.db2.gz ZDPVOVZMHXVXJM-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000776583312 682070556 /nfs/dbraw/zinc/07/05/56/682070556.db2.gz ZRLXRMWLEOJJLO-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@H+](CCC1CCOCC1)Cn1nccc1[N+](=O)[O-] ZINC000121154546 682205387 /nfs/dbraw/zinc/20/53/87/682205387.db2.gz QOEWKNQSDBVGIW-UHFFFAOYSA-N 1 1 268.317 1.497 20 5 CDBDMO C[N@@H+](CCC1CCOCC1)Cn1nccc1[N+](=O)[O-] ZINC000121154546 682205395 /nfs/dbraw/zinc/20/53/95/682205395.db2.gz QOEWKNQSDBVGIW-UHFFFAOYSA-N 1 1 268.317 1.497 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886580746 682212630 /nfs/dbraw/zinc/21/26/30/682212630.db2.gz WKQZWWAAEGXKHH-MBNYWOFBSA-N 1 1 292.335 1.676 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCSC[C@H]2CO)cc1 ZINC000784219641 682396650 /nfs/dbraw/zinc/39/66/50/682396650.db2.gz HEJSBLHFAWXKRK-OLZOCXBDSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000784219641 682396656 /nfs/dbraw/zinc/39/66/56/682396656.db2.gz HEJSBLHFAWXKRK-OLZOCXBDSA-N 1 1 298.364 1.038 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000790452573 682417511 /nfs/dbraw/zinc/41/75/11/682417511.db2.gz QXIFYILETMBJJI-STQMWFEESA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1CNCC[N@H+]1CC[C@H](O)C1 ZINC000858339238 682434591 /nfs/dbraw/zinc/43/45/91/682434591.db2.gz SNUQQDRHRVQWBI-LBPRGKRZSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000858339238 682434594 /nfs/dbraw/zinc/43/45/94/682434594.db2.gz SNUQQDRHRVQWBI-LBPRGKRZSA-N 1 1 299.758 1.404 20 5 CDBDMO Cn1c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810843902 682505854 /nfs/dbraw/zinc/50/58/54/682505854.db2.gz YNTKKOOZXJONBN-WDEREUQCSA-N 1 1 293.323 1.717 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)CCCC1 ZINC000797518663 682507921 /nfs/dbraw/zinc/50/79/21/682507921.db2.gz JDVVXJHGXZWSDV-UHFFFAOYSA-N 1 1 293.323 1.491 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704264673 682561337 /nfs/dbraw/zinc/56/13/37/682561337.db2.gz FZMORMGEMUGZLT-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000929261428 682619103 /nfs/dbraw/zinc/61/91/03/682619103.db2.gz HEJCEPXIYFMZFN-UHFFFAOYSA-N 1 1 272.308 1.507 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000929261428 682619107 /nfs/dbraw/zinc/61/91/07/682619107.db2.gz HEJCEPXIYFMZFN-UHFFFAOYSA-N 1 1 272.308 1.507 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000928573236 682811775 /nfs/dbraw/zinc/81/17/75/682811775.db2.gz NTKKZTGYFPLFHI-LLVKDONJSA-N 1 1 295.364 1.507 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000928573236 682811776 /nfs/dbraw/zinc/81/17/76/682811776.db2.gz NTKKZTGYFPLFHI-LLVKDONJSA-N 1 1 295.364 1.507 20 5 CDBDMO CCN(CC)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058575 683082984 /nfs/dbraw/zinc/08/29/84/683082984.db2.gz MTXNFAJGNLIGFY-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000930245267 683836737 /nfs/dbraw/zinc/83/67/37/683836737.db2.gz RFTBTSKLEXYMCU-UHFFFAOYSA-N 1 1 272.308 1.507 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000930245267 683836745 /nfs/dbraw/zinc/83/67/45/683836745.db2.gz RFTBTSKLEXYMCU-UHFFFAOYSA-N 1 1 272.308 1.507 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865682875 683892491 /nfs/dbraw/zinc/89/24/91/683892491.db2.gz RPFJLEFNQYEKFJ-UHFFFAOYSA-N 1 1 297.330 1.757 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842495 683901790 /nfs/dbraw/zinc/90/17/90/683901790.db2.gz MZNMVKKUNXVNKM-SECBINFHSA-N 1 1 283.288 1.574 20 5 CDBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000792875042 683915721 /nfs/dbraw/zinc/91/57/21/683915721.db2.gz XKEDDJBFLNPLKA-JTQLQIEISA-N 1 1 294.311 1.639 20 5 CDBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000843144961 684035314 /nfs/dbraw/zinc/03/53/14/684035314.db2.gz PPOOENSXDQQONL-UHFFFAOYSA-N 1 1 293.239 1.663 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000879962383 684113584 /nfs/dbraw/zinc/11/35/84/684113584.db2.gz QMLLOJAFBVITRE-NSHDSACASA-N 1 1 282.344 1.274 20 5 CDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885959015 684264863 /nfs/dbraw/zinc/26/48/63/684264863.db2.gz QKBNCADGLXFNMX-SECBINFHSA-N 1 1 267.285 1.231 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885959015 684264873 /nfs/dbraw/zinc/26/48/73/684264873.db2.gz QKBNCADGLXFNMX-SECBINFHSA-N 1 1 267.285 1.231 20 5 CDBDMO CC[NH+](CC)C[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637627 684280480 /nfs/dbraw/zinc/28/04/80/684280480.db2.gz FBDQIUUTUGPCBF-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO CN(CCC[N@@H+](C)CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000930720904 684293129 /nfs/dbraw/zinc/29/31/29/684293129.db2.gz DBTWWJFNCVEXDG-UHFFFAOYSA-N 1 1 275.349 1.452 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000042549992 1166073405 /nfs/dbraw/zinc/07/34/05/1166073405.db2.gz SKRHDTDEZQBVHT-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001591125681 1173575108 /nfs/dbraw/zinc/57/51/08/1173575108.db2.gz JVVYLKHOAWYXHG-UHFFFAOYSA-N 1 1 288.311 1.759 20 5 CDBDMO O=C(NC/C=C\C[NH2+]Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001754120487 1185473758 /nfs/dbraw/zinc/47/37/58/1185473758.db2.gz XWHBZLCSWRCXTJ-UUSXEQNQSA-N 1 1 289.335 1.114 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636401 719211452 /nfs/dbraw/zinc/21/14/52/719211452.db2.gz KBWPSNJQIVFTTR-IUCAKERBSA-N 1 1 265.317 1.101 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCc2[nH+]ccn2CC1 ZINC001167177902 894809765 /nfs/dbraw/zinc/80/97/65/894809765.db2.gz AAGMQEYPNBFBCX-UHFFFAOYSA-N 1 1 277.259 1.388 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000049099945 900677870 /nfs/dbraw/zinc/67/78/70/900677870.db2.gz KTFHQEGPTPUJFJ-MRVPVSSYSA-N 1 1 281.341 1.810 20 5 CDBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC ZINC000697915175 909579307 /nfs/dbraw/zinc/57/93/07/909579307.db2.gz HSWCWVCWUQDEAG-LLVKDONJSA-N 1 1 285.731 1.862 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000824615102 925830636 /nfs/dbraw/zinc/83/06/36/925830636.db2.gz WIEIAACFDIHFRY-JTQLQIEISA-N 1 1 280.328 1.752 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961233 927582429 /nfs/dbraw/zinc/58/24/29/927582429.db2.gz IGTFWLBANBRXLU-VHSXEESVSA-N 1 1 256.302 1.117 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cnccc3C2)C1 ZINC001169008685 927614459 /nfs/dbraw/zinc/61/44/59/927614459.db2.gz TVYNVJXTWSAHLL-SMDDNHRTSA-N 1 1 261.325 1.885 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011438 927616280 /nfs/dbraw/zinc/61/62/80/927616280.db2.gz KIFKDNOFAONIQB-WOPDTQHZSA-N 1 1 254.330 1.733 20 5 CDBDMO Cc1nc(CC[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011260 927617521 /nfs/dbraw/zinc/61/75/21/927617521.db2.gz IZNGPZCDIKYGJJ-MNOVXSKESA-N 1 1 268.317 1.298 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@H]1O ZINC001169010579 927618268 /nfs/dbraw/zinc/61/82/68/927618268.db2.gz DUTALOKRFXLJOE-LPWJVIDDSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](O)[C@@H](F)CC2)C1 ZINC001169013002 927620470 /nfs/dbraw/zinc/62/04/70/927620470.db2.gz SWKWTBGUVXHPFX-NOOOWODRSA-N 1 1 260.309 1.227 20 5 CDBDMO CCOC(=O)[C@H](CC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987193 927623081 /nfs/dbraw/zinc/62/30/81/927623081.db2.gz HIKCZULMTQSZGW-VWYCJHECSA-N 1 1 258.318 1.363 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC001169028374 927635706 /nfs/dbraw/zinc/63/57/06/927635706.db2.gz RWDAKZXGZCZNDM-UKRRQHHQSA-N 1 1 281.400 1.992 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169034551 927641041 /nfs/dbraw/zinc/64/10/41/927641041.db2.gz HRWAIPKSSFNWCW-WUHRBBMRSA-N 1 1 284.356 1.705 20 5 CDBDMO CN1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038684 927649671 /nfs/dbraw/zinc/64/96/71/927649671.db2.gz KEDNAJTYQJDPRV-RDBSUJKOSA-N 1 1 267.373 1.459 20 5 CDBDMO CN1CC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038684 927649675 /nfs/dbraw/zinc/64/96/75/927649675.db2.gz KEDNAJTYQJDPRV-RDBSUJKOSA-N 1 1 267.373 1.459 20 5 CDBDMO C[N@H+](C1CC1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039925 927653835 /nfs/dbraw/zinc/65/38/35/927653835.db2.gz VVMHGVXYAOJIML-WFASDCNBSA-N 1 1 281.400 1.990 20 5 CDBDMO C[N@@H+](C1CC1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039925 927653839 /nfs/dbraw/zinc/65/38/39/927653839.db2.gz VVMHGVXYAOJIML-WFASDCNBSA-N 1 1 281.400 1.990 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169025952 927666434 /nfs/dbraw/zinc/66/64/34/927666434.db2.gz KFKKIJZEFJABLK-VNHYZAJKSA-N 1 1 291.351 1.980 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055772 927673316 /nfs/dbraw/zinc/67/33/16/927673316.db2.gz QGESFCKOWWOOJS-CMPLNLGQSA-N 1 1 250.302 1.354 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057498 927674507 /nfs/dbraw/zinc/67/45/07/927674507.db2.gz WATRSLXHYZEEAL-XGUBFFRZSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057498 927674514 /nfs/dbraw/zinc/67/45/14/927674514.db2.gz WATRSLXHYZEEAL-XGUBFFRZSA-N 1 1 299.390 1.940 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001156659699 928893516 /nfs/dbraw/zinc/89/35/16/928893516.db2.gz JGZSTJOSTWMFBE-JTQLQIEISA-N 1 1 266.301 1.533 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000217788367 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CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602780723 344596276 /nfs/dbraw/zinc/59/62/76/344596276.db2.gz DGPFSVVDPOOKSE-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602780723 344596278 /nfs/dbraw/zinc/59/62/78/344596278.db2.gz DGPFSVVDPOOKSE-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)CC1(C)C ZINC000602795894 344586669 /nfs/dbraw/zinc/58/66/69/344586669.db2.gz CDGQXCPUBGYMMS-UHFFFAOYSA-N 1 1 281.360 1.126 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000602787124 344599637 /nfs/dbraw/zinc/59/96/37/344599637.db2.gz IJXHJZIGVPLQSY-ZDUSSCGKSA-N 1 1 280.328 1.212 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602981599 344674024 /nfs/dbraw/zinc/67/40/24/344674024.db2.gz GOLMJJDOJPZFJJ-LBPRGKRZSA-N 1 1 268.317 1.028 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccn1 ZINC000602837054 344619704 /nfs/dbraw/zinc/61/97/04/344619704.db2.gz SLORINZCILUOEY-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO CC1(C)[C@H](NCCOc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000603430544 344802996 /nfs/dbraw/zinc/80/29/96/344802996.db2.gz ADZZMXGRHPYLIQ-QWHCGFSZSA-N 1 1 279.340 1.689 20 5 CDBDMO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000344150193 362545692 /nfs/dbraw/zinc/54/56/92/362545692.db2.gz UJJJBPDYCKSMRI-GFCCVEGCSA-N 1 1 297.742 1.959 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344222208 362556870 /nfs/dbraw/zinc/55/68/70/362556870.db2.gz PPOMLUJFKMHFDC-NSHDSACASA-N 1 1 293.298 1.700 20 5 CDBDMO C[NH+](C)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092938241 345627382 /nfs/dbraw/zinc/62/73/82/345627382.db2.gz OXDSHUMOTFHICI-LBPRGKRZSA-N 1 1 279.340 1.826 20 5 CDBDMO Cc1cnc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000090691988 180024809 /nfs/dbraw/zinc/02/48/09/180024809.db2.gz LOJIQMYVYXCFLP-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO Nc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000313077831 350815739 /nfs/dbraw/zinc/81/57/39/350815739.db2.gz WMTKCDOPDOEWHJ-VIFPVBQESA-N 1 1 277.328 1.468 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036794887 363050545 /nfs/dbraw/zinc/05/05/45/363050545.db2.gz KLXMHOIDFSAOLI-QMMMGPOBSA-N 1 1 285.731 1.862 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000339360494 282761477 /nfs/dbraw/zinc/76/14/77/282761477.db2.gz RMMJZKSLMHFHOG-VIFPVBQESA-N 1 1 276.300 1.056 20 5 CDBDMO CCCc1[nH+]ccn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000151899043 187984839 /nfs/dbraw/zinc/98/48/39/187984839.db2.gz OKXSPMOKQNHZAQ-NSHDSACASA-N 1 1 279.300 1.001 20 5 CDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153987021 188116621 /nfs/dbraw/zinc/11/66/21/188116621.db2.gz MKXXAIFHWLHNAS-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926501 188170646 /nfs/dbraw/zinc/17/06/46/188170646.db2.gz JOYSTRKYUJLFDA-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000155217680 188190947 /nfs/dbraw/zinc/19/09/47/188190947.db2.gz RMPQHWRXQUSDCY-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411939091 363383288 /nfs/dbraw/zinc/38/32/88/363383288.db2.gz NIJAGYFDVVNCFY-CYBMUJFWSA-N 1 1 291.351 1.547 20 5 CDBDMO CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286204287 356231879 /nfs/dbraw/zinc/23/18/79/356231879.db2.gz BYNYHTSRCUQBOO-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000336788755 356262266 /nfs/dbraw/zinc/26/22/66/356262266.db2.gz QRMPVUZJGRVEMZ-LBPRGKRZSA-N 1 1 250.298 1.942 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000219295613 356306104 /nfs/dbraw/zinc/30/61/04/356306104.db2.gz VKDDNUDNJHTARY-MNOVXSKESA-N 1 1 263.301 1.424 20 5 CDBDMO C[C@H](NC(=O)[C@H]1CSC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766481 356529878 /nfs/dbraw/zinc/52/98/78/356529878.db2.gz SSTLLDADBNSAEB-GZMMTYOYSA-N 1 1 281.337 1.435 20 5 CDBDMO CSCC[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249336 366298382 /nfs/dbraw/zinc/29/83/82/366298382.db2.gz BXWIWWJVPZGBFJ-SNVBAGLBSA-N 1 1 272.374 1.865 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCC(F)(F)F ZINC000350724764 357476788 /nfs/dbraw/zinc/47/67/88/357476788.db2.gz OHERLILLAYOLMQ-UHFFFAOYSA-N 1 1 266.223 1.676 20 5 CDBDMO COCCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000189882791 358043738 /nfs/dbraw/zinc/04/37/38/358043738.db2.gz BPYWOHYBVPOZBY-UHFFFAOYSA-N 1 1 282.340 1.734 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162685 358224201 /nfs/dbraw/zinc/22/42/01/358224201.db2.gz YMSIAQOBZOAHCO-UWVGGRQHSA-N 1 1 293.323 1.465 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558434 358319831 /nfs/dbraw/zinc/31/98/31/358319831.db2.gz WVAFGFSPLMTDQU-CQSZACIVSA-N 1 1 277.324 1.601 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193869840 358327674 /nfs/dbraw/zinc/32/76/74/358327674.db2.gz JFOSUVSSXXKYNL-UHFFFAOYSA-N 1 1 296.283 1.071 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193869840 358327678 /nfs/dbraw/zinc/32/76/78/358327678.db2.gz JFOSUVSSXXKYNL-UHFFFAOYSA-N 1 1 296.283 1.071 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048108 283382365 /nfs/dbraw/zinc/38/23/65/283382365.db2.gz FNAHROGCHPOXCJ-QWRGUYRKSA-N 1 1 279.340 1.970 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000341566024 358661609 /nfs/dbraw/zinc/66/16/09/358661609.db2.gz ONNUUVFEMQOZSG-UHFFFAOYSA-N 1 1 265.313 1.631 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000290833353 358663487 /nfs/dbraw/zinc/66/34/87/358663487.db2.gz UVPHGJLBPBRXLW-LBPRGKRZSA-N 1 1 284.287 1.568 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665582 140312015 /nfs/dbraw/zinc/31/20/15/140312015.db2.gz LFYIAAIWSLTZDK-SMDDNHRTSA-N 1 1 264.325 1.840 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451199382 359040239 /nfs/dbraw/zinc/04/02/39/359040239.db2.gz RCZUHSFIIQIPOG-GHMZBOCLSA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](F)C1 ZINC000451199382 359040241 /nfs/dbraw/zinc/04/02/41/359040241.db2.gz RCZUHSFIIQIPOG-GHMZBOCLSA-N 1 1 284.287 1.378 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000120037446 359068779 /nfs/dbraw/zinc/06/87/79/359068779.db2.gz FNFXCEBROWDIGL-SECBINFHSA-N 1 1 256.331 1.229 20 5 CDBDMO CC[N@@H+](CCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305211308 359134721 /nfs/dbraw/zinc/13/47/21/359134721.db2.gz PKWYGKQOLCOJBI-CYBMUJFWSA-N 1 1 293.323 1.014 20 5 CDBDMO Cc1nc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359051 200161709 /nfs/dbraw/zinc/16/17/09/200161709.db2.gz BWFBKXVUNCMXPN-KOLCDFICSA-N 1 1 279.344 1.470 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000178034098 189086870 /nfs/dbraw/zinc/08/68/70/189086870.db2.gz WVNWVOGHSWUNSN-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000178034098 189086871 /nfs/dbraw/zinc/08/68/71/189086871.db2.gz WVNWVOGHSWUNSN-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO COCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054356221 360626735 /nfs/dbraw/zinc/62/67/35/360626735.db2.gz PZLHQNNOWWQQDE-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO COCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054356221 360626738 /nfs/dbraw/zinc/62/67/38/360626738.db2.gz PZLHQNNOWWQQDE-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO Cc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000297227557 360637483 /nfs/dbraw/zinc/63/74/83/360637483.db2.gz TVGJMAZBXJVLOH-SNVBAGLBSA-N 1 1 288.311 1.800 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297690 360936741 /nfs/dbraw/zinc/93/67/41/360936741.db2.gz FSYGKTUKZXBEQS-NSHDSACASA-N 1 1 286.719 1.122 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccn2)C2CC2)n1 ZINC000180855668 189279952 /nfs/dbraw/zinc/27/99/52/189279952.db2.gz AHSLUGXOBBWBHA-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO COc1ccc(CN[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168893396 361560516 /nfs/dbraw/zinc/56/05/16/361560516.db2.gz LOBHNGLNLCNPBF-JTQLQIEISA-N 1 1 267.329 1.643 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000580339854 363902721 /nfs/dbraw/zinc/90/27/21/363902721.db2.gz JHEJEOXKIWTYCD-MNOVXSKESA-N 1 1 264.329 1.909 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000353167785 364262667 /nfs/dbraw/zinc/26/26/67/364262667.db2.gz NBHAKFMXAPYPOU-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1(CO)CC1 ZINC000353167785 364262672 /nfs/dbraw/zinc/26/26/72/364262672.db2.gz NBHAKFMXAPYPOU-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000110490119 365051168 /nfs/dbraw/zinc/05/11/68/365051168.db2.gz LBJPOVMQVYBFOY-GHMZBOCLSA-N 1 1 278.312 1.265 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172745 365383171 /nfs/dbraw/zinc/38/31/71/365383171.db2.gz GZJSSYQNKGVJOR-LLVKDONJSA-N 1 1 294.355 1.488 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000270886739 366942693 /nfs/dbraw/zinc/94/26/93/366942693.db2.gz KUSQDAGEKRPRAH-JOYOIKCWSA-N 1 1 291.307 1.939 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000270886739 366942700 /nfs/dbraw/zinc/94/27/00/366942700.db2.gz KUSQDAGEKRPRAH-JOYOIKCWSA-N 1 1 291.307 1.939 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000270858169 366938282 /nfs/dbraw/zinc/93/82/82/366938282.db2.gz HTFRVDKDXMOTRP-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000270858169 366938286 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C[C@@H](CN)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293263 244036386 /nfs/dbraw/zinc/03/63/86/244036386.db2.gz QQIFQVDYMMQYOI-JTQLQIEISA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@@H](CN)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293263 244036390 /nfs/dbraw/zinc/03/63/90/244036390.db2.gz QQIFQVDYMMQYOI-JTQLQIEISA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000351823096 369302238 /nfs/dbraw/zinc/30/22/38/369302238.db2.gz LDGXONBJTDDOJL-KCJUWKMLSA-N 1 1 277.280 1.549 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000351823096 369302242 /nfs/dbraw/zinc/30/22/42/369302242.db2.gz LDGXONBJTDDOJL-KCJUWKMLSA-N 1 1 277.280 1.549 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@H]1CO ZINC000330864059 203329094 /nfs/dbraw/zinc/32/90/94/203329094.db2.gz YGEALHFGURARQQ-LLVKDONJSA-N 1 1 268.338 1.505 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@H]1CO ZINC000330864059 203329098 /nfs/dbraw/zinc/32/90/98/203329098.db2.gz 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CDBDMO O=[N+]([O-])c1cnn(CC[NH+]2Cc3ccccc3C2)c1 ZINC000174851782 379591471 /nfs/dbraw/zinc/59/14/71/379591471.db2.gz GOGOIZFGFWPRCR-UHFFFAOYSA-N 1 1 258.281 1.807 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267034429 190298476 /nfs/dbraw/zinc/29/84/76/190298476.db2.gz NGBREECLFDKUKC-UHFFFAOYSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@H+]1C1CC1 ZINC000268038919 190371564 /nfs/dbraw/zinc/37/15/64/190371564.db2.gz XLRAUOMKXQLNCF-BDAKNGLRSA-N 1 1 278.312 1.278 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204357 190385521 /nfs/dbraw/zinc/38/55/21/190385521.db2.gz JLDXIYSPELGGQX-KWQFWETISA-N 1 1 295.364 1.869 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000289450334 197352589 /nfs/dbraw/zinc/35/25/89/197352589.db2.gz AGZGJFFEQJTQEN-RYUDHWBXSA-N 1 1 270.260 1.237 20 5 CDBDMO CNC(=O)C1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459614062 252747609 /nfs/dbraw/zinc/74/76/09/252747609.db2.gz VJKAAUSDZMSTES-GQCTYLIASA-N 1 1 275.308 1.286 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCCC1=O ZINC000282512955 195632065 /nfs/dbraw/zinc/63/20/65/195632065.db2.gz SFUPZVMQIGKJCZ-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CC(C)C[C@H]1COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176244641 390915758 /nfs/dbraw/zinc/91/57/58/390915758.db2.gz LOHWYVXBINAOCY-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO CC(C)C[C@H]1COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176244641 390915759 /nfs/dbraw/zinc/91/57/59/390915759.db2.gz LOHWYVXBINAOCY-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000363881262 391273752 /nfs/dbraw/zinc/27/37/52/391273752.db2.gz BCCHBNWVBHCRRH-CYBMUJFWSA-N 1 1 285.307 1.983 20 5 CDBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000363881262 391273755 /nfs/dbraw/zinc/27/37/55/391273755.db2.gz BCCHBNWVBHCRRH-CYBMUJFWSA-N 1 1 285.307 1.983 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000519603179 391739736 /nfs/dbraw/zinc/73/97/36/391739736.db2.gz HQRDUABZYACOII-CYBMUJFWSA-N 1 1 287.323 1.676 20 5 CDBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000459694532 392499526 /nfs/dbraw/zinc/49/95/26/392499526.db2.gz AAGPZCZSMIXAHU-LLVKDONJSA-N 1 1 282.344 1.719 20 5 CDBDMO CCOC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000459694532 392499535 /nfs/dbraw/zinc/49/95/35/392499535.db2.gz AAGPZCZSMIXAHU-LLVKDONJSA-N 1 1 282.344 1.719 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000549641517 392597744 /nfs/dbraw/zinc/59/77/44/392597744.db2.gz POBYSFNDBZSJOE-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000524721026 392919655 /nfs/dbraw/zinc/91/96/55/392919655.db2.gz ZIMBJJHYLYPATA-SNVBAGLBSA-N 1 1 280.328 1.005 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421395780 392935021 /nfs/dbraw/zinc/93/50/21/392935021.db2.gz VLOORMJZLHPDOZ-YVARQFDVSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421395780 392935023 /nfs/dbraw/zinc/93/50/23/392935023.db2.gz VLOORMJZLHPDOZ-YVARQFDVSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421388939 392935157 /nfs/dbraw/zinc/93/51/57/392935157.db2.gz LJHJXAZXLBJSKJ-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421388939 392935158 /nfs/dbraw/zinc/93/51/58/392935158.db2.gz LJHJXAZXLBJSKJ-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1O ZINC000430197950 393091203 /nfs/dbraw/zinc/09/12/03/393091203.db2.gz XEPYNUHOLTUSLR-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO CCOC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199588 393091520 /nfs/dbraw/zinc/09/15/20/393091520.db2.gz CKRFZWOWTLTXDS-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199588 393091523 /nfs/dbraw/zinc/09/15/23/393091523.db2.gz CKRFZWOWTLTXDS-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO CC(C)(O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681472 393227205 /nfs/dbraw/zinc/22/72/05/393227205.db2.gz XKLUMOOPPIFFCQ-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO CC(C)(O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681472 393227211 /nfs/dbraw/zinc/22/72/11/393227211.db2.gz XKLUMOOPPIFFCQ-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489941717 393199919 /nfs/dbraw/zinc/19/99/19/393199919.db2.gz YMCDGFIGEKZHTK-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO1 ZINC000090522585 393308694 /nfs/dbraw/zinc/30/86/94/393308694.db2.gz IOPRIKBJDCOISP-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO [NH3+]CC(F)(F)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000236185881 140239205 /nfs/dbraw/zinc/23/92/05/140239205.db2.gz DUEONJGMRKUNCX-UHFFFAOYSA-N 1 1 267.182 1.879 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1CCO ZINC000310636918 149196385 /nfs/dbraw/zinc/19/63/85/149196385.db2.gz RDZGJZLPNUYOMR-LBPRGKRZSA-N 1 1 250.298 1.942 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c(F)c1 ZINC000313584296 149245157 /nfs/dbraw/zinc/24/51/57/149245157.db2.gz YCSKJDJJTWLGJF-WFBYXXMGSA-N 1 1 280.299 1.937 20 5 CDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343483239 152197253 /nfs/dbraw/zinc/19/72/53/152197253.db2.gz UYXQDGMRVAPAGO-ONGXEEELSA-N 1 1 250.302 1.884 20 5 CDBDMO CCNC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676751 155354492 /nfs/dbraw/zinc/35/44/92/155354492.db2.gz ISKLAWFDNZOMEL-UHFFFAOYSA-N 1 1 293.323 1.315 20 5 CDBDMO CCNC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676751 155354494 /nfs/dbraw/zinc/35/44/94/155354494.db2.gz ISKLAWFDNZOMEL-UHFFFAOYSA-N 1 1 293.323 1.315 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccn(C)n1 ZINC000350049059 154313338 /nfs/dbraw/zinc/31/33/38/154313338.db2.gz OLNQZLWKMOKYGR-UHFFFAOYSA-N 1 1 260.297 1.927 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221443 155034814 /nfs/dbraw/zinc/03/48/14/155034814.db2.gz MCNZJIZYAOAKQF-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000353996769 156213207 /nfs/dbraw/zinc/21/32/07/156213207.db2.gz IQJUVKKMPYDQTL-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+](CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000355356661 157002353 /nfs/dbraw/zinc/00/23/53/157002353.db2.gz YUVPKSLETMDKGD-XFFZJAGNSA-N 1 1 277.324 1.805 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C)C1 ZINC000362158602 159087867 /nfs/dbraw/zinc/08/78/67/159087867.db2.gz SODYEMYJFSKNDD-OLZOCXBDSA-N 1 1 296.371 1.928 20 5 CDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284869537 196146940 /nfs/dbraw/zinc/14/69/40/196146940.db2.gz SKRIDBIUIAFQTD-CABCVRRESA-N 1 1 291.351 1.500 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000338721975 274118276 /nfs/dbraw/zinc/11/82/76/274118276.db2.gz BROMGEMZXRQXOJ-UONOGXRCSA-N 1 1 293.323 1.123 20 5 CDBDMO CC(C)([NH2+]CC(=O)NCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000292187637 275552446 /nfs/dbraw/zinc/55/24/46/275552446.db2.gz RCHULXGABWICOT-UHFFFAOYSA-N 1 1 291.351 1.946 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000162597371 292827019 /nfs/dbraw/zinc/82/70/19/292827019.db2.gz SVLVMWCFJROWNY-SNAWJCMRSA-N 1 1 285.250 1.318 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255848187 289387855 /nfs/dbraw/zinc/38/78/55/289387855.db2.gz VUHIGJNVCNHOTC-FPLPWBNLSA-N 1 1 277.324 1.676 20 5 CDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000562274207 293123963 /nfs/dbraw/zinc/12/39/63/293123963.db2.gz YRBCCNLSYMVWDP-NSHDSACASA-N 1 1 295.314 1.563 20 5 CDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000562274207 293123965 /nfs/dbraw/zinc/12/39/65/293123965.db2.gz YRBCCNLSYMVWDP-NSHDSACASA-N 1 1 295.314 1.563 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408364158 303020601 /nfs/dbraw/zinc/02/06/01/303020601.db2.gz HTFFTRCNDBBWPO-QWRGUYRKSA-N 1 1 279.344 1.249 20 5 CDBDMO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000563375783 316277617 /nfs/dbraw/zinc/27/76/17/316277617.db2.gz XNVZLFSEQJJZAG-NSHDSACASA-N 1 1 277.324 1.551 20 5 CDBDMO C[N@H+](C[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148991 317085686 /nfs/dbraw/zinc/08/56/86/317085686.db2.gz CZZYKDDSSXFNFC-HNNXBMFYSA-N 1 1 293.367 1.182 20 5 CDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000264370085 523469482 /nfs/dbraw/zinc/46/94/82/523469482.db2.gz WQTZKFIWHRWIFD-NWDGAFQWSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295330 524587228 /nfs/dbraw/zinc/58/72/28/524587228.db2.gz AIVJHYFDDISTLA-GXFFZTMASA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1c(C(=O)NCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000337290324 525611670 /nfs/dbraw/zinc/61/16/70/525611670.db2.gz KOAVMPRABLWKIZ-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000050015812 526884027 /nfs/dbraw/zinc/88/40/27/526884027.db2.gz LAXVSEKGWPCHEH-UHFFFAOYSA-N 1 1 263.297 1.211 20 5 CDBDMO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000751930069 577075470 /nfs/dbraw/zinc/07/54/70/577075470.db2.gz SUCSJMYLRRMWBX-DTORHVGOSA-N 1 1 252.318 1.953 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934015954 617853249 /nfs/dbraw/zinc/85/32/49/617853249.db2.gz QIQMVZVGJZRNJM-GFCCVEGCSA-N 1 1 266.297 1.430 20 5 CDBDMO CC[N@H+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H]1C ZINC000892972382 618002168 /nfs/dbraw/zinc/00/21/68/618002168.db2.gz XXXSXDSRLGBPLE-SECBINFHSA-N 1 1 291.311 1.661 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000893874799 618122220 /nfs/dbraw/zinc/12/22/20/618122220.db2.gz ZYVOXKOWCSVYRM-LLVKDONJSA-N 1 1 295.314 1.866 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000893941178 618204719 /nfs/dbraw/zinc/20/47/19/618204719.db2.gz RNICULWTRHKXQU-ZANVPECISA-N 1 1 265.288 1.874 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000894463268 618898932 /nfs/dbraw/zinc/89/89/32/618898932.db2.gz FJWWCHPEEXMGFQ-MRVPVSSYSA-N 1 1 270.285 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000894463268 618898934 /nfs/dbraw/zinc/89/89/34/618898934.db2.gz FJWWCHPEEXMGFQ-MRVPVSSYSA-N 1 1 270.285 1.122 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1F ZINC000895114768 619305428 /nfs/dbraw/zinc/30/54/28/619305428.db2.gz IHHVNUJKHOTANE-UHFFFAOYSA-N 1 1 265.248 1.746 20 5 CDBDMO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246761 619491780 /nfs/dbraw/zinc/49/17/80/619491780.db2.gz BZDWFNAXYQHHOD-IINYFYTJSA-N 1 1 296.346 1.780 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000902614356 625027894 /nfs/dbraw/zinc/02/78/94/625027894.db2.gz WVCGKYNQKDXNAO-UHFFFAOYSA-N 1 1 252.274 1.155 20 5 CDBDMO CCc1cccc2c1OCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905089546 626605173 /nfs/dbraw/zinc/60/51/73/626605173.db2.gz NRXPDAWRONSBIG-LBPRGKRZSA-N 1 1 250.298 1.939 20 5 CDBDMO C[C@@H]1C[C@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152493 626637937 /nfs/dbraw/zinc/63/79/37/626637937.db2.gz DXTVJBZLIAKMGU-UKRRQHHQSA-N 1 1 277.368 1.906 20 5 CDBDMO COCCOc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905161387 626672757 /nfs/dbraw/zinc/67/27/57/626672757.db2.gz RYBOYWJTFFXVTB-UHFFFAOYSA-N 1 1 268.313 1.387 20 5 CDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000905280221 626734293 /nfs/dbraw/zinc/73/42/93/626734293.db2.gz MRACFAVJPLLKIN-MNOVXSKESA-N 1 1 277.324 1.219 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238526 685334437 /nfs/dbraw/zinc/33/44/37/685334437.db2.gz BMLBRPMPQICKRV-ZDUSSCGKSA-N 1 1 278.356 1.904 20 5 CDBDMO C[C@H]1CCCN(C(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000929281464 686218523 /nfs/dbraw/zinc/21/85/23/686218523.db2.gz MZSWSYYLZSEPSV-LBPRGKRZSA-N 1 1 283.372 1.234 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081364 685373855 /nfs/dbraw/zinc/37/38/55/685373855.db2.gz NFDVVALQDVHQMP-LLVKDONJSA-N 1 1 265.313 1.725 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC(O)C1 ZINC000801540896 685395356 /nfs/dbraw/zinc/39/53/56/685395356.db2.gz GQMQBJWLDHNNHI-UHFFFAOYSA-N 1 1 254.261 1.689 20 5 CDBDMO CC[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804315816 685454491 /nfs/dbraw/zinc/45/44/91/685454491.db2.gz NDTAXGIOAPRTIB-UHFFFAOYSA-N 1 1 280.284 1.645 20 5 CDBDMO C[N@H+](CCc1cnccn1)Cc1cccnc1[N+](=O)[O-] ZINC000886103069 685614808 /nfs/dbraw/zinc/61/48/08/685614808.db2.gz YGDNFTWTFGGFOB-UHFFFAOYSA-N 1 1 273.296 1.454 20 5 CDBDMO C[N@@H+](CCc1cnccn1)Cc1cccnc1[N+](=O)[O-] ZINC000886103069 685614816 /nfs/dbraw/zinc/61/48/16/685614816.db2.gz YGDNFTWTFGGFOB-UHFFFAOYSA-N 1 1 273.296 1.454 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880301102 684386430 /nfs/dbraw/zinc/38/64/30/684386430.db2.gz MDLHHBPXELGXEK-JTQLQIEISA-N 1 1 256.281 1.391 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882479236 684452341 /nfs/dbraw/zinc/45/23/41/684452341.db2.gz QRCFNXFFFPHFSB-GFCCVEGCSA-N 1 1 263.297 1.419 20 5 CDBDMO CC[C@@H](CO)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985567 684735485 /nfs/dbraw/zinc/73/54/85/684735485.db2.gz CAAGVDWZXOTJPA-MNOVXSKESA-N 1 1 280.328 1.247 20 5 CDBDMO CC[C@@H](CO)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882031899 685010024 /nfs/dbraw/zinc/01/00/24/685010024.db2.gz QPEQZXQMCXZSKI-JTQLQIEISA-N 1 1 298.318 1.022 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815641 685818263 /nfs/dbraw/zinc/81/82/63/685818263.db2.gz HCLINDIKMUPYKQ-STQMWFEESA-N 1 1 294.355 1.601 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845727671 686070416 /nfs/dbraw/zinc/07/04/16/686070416.db2.gz DTHZGLMCKNNOPO-OPRDCNLKSA-N 1 1 256.302 1.068 20 5 CDBDMO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845727671 686070424 /nfs/dbraw/zinc/07/04/24/686070424.db2.gz DTHZGLMCKNNOPO-OPRDCNLKSA-N 1 1 256.302 1.068 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845727671 686070435 /nfs/dbraw/zinc/07/04/35/686070435.db2.gz DTHZGLMCKNNOPO-OPRDCNLKSA-N 1 1 256.302 1.068 20 5 CDBDMO C[C@@H]1COCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886085870 686314353 /nfs/dbraw/zinc/31/43/53/686314353.db2.gz DQVOWLZBAUTMSC-JTQLQIEISA-N 1 1 251.286 1.458 20 5 CDBDMO C[C@@H]1COCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886085870 686314363 /nfs/dbraw/zinc/31/43/63/686314363.db2.gz DQVOWLZBAUTMSC-JTQLQIEISA-N 1 1 251.286 1.458 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808231108 686325094 /nfs/dbraw/zinc/32/50/94/686325094.db2.gz XYOFRKQOHFOXGU-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808231108 686325106 /nfs/dbraw/zinc/32/51/06/686325106.db2.gz XYOFRKQOHFOXGU-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO C[N@H+]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272495 686576042 /nfs/dbraw/zinc/57/60/42/686576042.db2.gz UNMCHVRATOLDFI-AWEZNQCLSA-N 1 1 279.340 1.266 20 5 CDBDMO CN1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272495 686576058 /nfs/dbraw/zinc/57/60/58/686576058.db2.gz UNMCHVRATOLDFI-AWEZNQCLSA-N 1 1 279.340 1.266 20 5 CDBDMO CN1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272495 686576065 /nfs/dbraw/zinc/57/60/65/686576065.db2.gz UNMCHVRATOLDFI-AWEZNQCLSA-N 1 1 279.340 1.266 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859428 686812661 /nfs/dbraw/zinc/81/26/61/686812661.db2.gz SNRZZHYPNFAMAD-ZDUSSCGKSA-N 1 1 296.323 1.513 20 5 CDBDMO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839594573 686839533 /nfs/dbraw/zinc/83/95/33/686839533.db2.gz VTFODIWIVZJFDJ-MCIONIFRSA-N 1 1 291.351 1.379 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310459 686875854 /nfs/dbraw/zinc/87/58/54/686875854.db2.gz MGCJMLWYZZDGJQ-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310459 686875856 /nfs/dbraw/zinc/87/58/56/686875856.db2.gz MGCJMLWYZZDGJQ-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000162816119 686885728 /nfs/dbraw/zinc/88/57/28/686885728.db2.gz TUQUXGNKSJPYPM-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739925 687148940 /nfs/dbraw/zinc/14/89/40/687148940.db2.gz SZULRCQSSUQYHJ-WDEREUQCSA-N 1 1 271.361 1.373 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000714028984 687227872 /nfs/dbraw/zinc/22/78/72/687227872.db2.gz INJALYPWZCIZGP-GXFFZTMASA-N 1 1 250.298 1.716 20 5 CDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886164538 687259477 /nfs/dbraw/zinc/25/94/77/687259477.db2.gz NBMRNXUXYFYHTA-ONGXEEELSA-N 1 1 279.296 1.373 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886164538 687259485 /nfs/dbraw/zinc/25/94/85/687259485.db2.gz NBMRNXUXYFYHTA-ONGXEEELSA-N 1 1 279.296 1.373 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CF)C1 ZINC000880301103 687329872 /nfs/dbraw/zinc/32/98/72/687329872.db2.gz MDLHHBPXELGXEK-SNVBAGLBSA-N 1 1 256.281 1.391 20 5 CDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885959016 687398265 /nfs/dbraw/zinc/39/82/65/687398265.db2.gz QKBNCADGLXFNMX-VIFPVBQESA-N 1 1 267.285 1.231 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885959016 687398275 /nfs/dbraw/zinc/39/82/75/687398275.db2.gz QKBNCADGLXFNMX-VIFPVBQESA-N 1 1 267.285 1.231 20 5 CDBDMO O=[N+]([O-])c1c(F)cccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858811854 687573535 /nfs/dbraw/zinc/57/35/35/687573535.db2.gz GQVOWHLXZVTXSU-SECBINFHSA-N 1 1 269.276 1.212 20 5 CDBDMO C[C@@H](C[NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841049699 687585508 /nfs/dbraw/zinc/58/55/08/687585508.db2.gz VHHFWRBYXHHRGB-QMMMGPOBSA-N 1 1 257.721 1.933 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159453143 687659567 /nfs/dbraw/zinc/65/95/67/687659567.db2.gz RISTWPCAPUFTJM-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159453143 687659577 /nfs/dbraw/zinc/65/95/77/687659577.db2.gz RISTWPCAPUFTJM-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[N@@H+]1C ZINC000831555266 687759086 /nfs/dbraw/zinc/75/90/86/687759086.db2.gz LJNHHRQLWNFGMX-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C[N@H+]1C ZINC000831555266 687759098 /nfs/dbraw/zinc/75/90/98/687759098.db2.gz LJNHHRQLWNFGMX-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000930299092 687802061 /nfs/dbraw/zinc/80/20/61/687802061.db2.gz BCCHSKAEWUPDGL-JHJVBQTASA-N 1 1 256.346 1.669 20 5 CDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C[NH+](C)C ZINC000866262560 687823828 /nfs/dbraw/zinc/82/38/28/687823828.db2.gz BUYNROVAJDFDOS-GXFFZTMASA-N 1 1 299.346 1.177 20 5 CDBDMO C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000823129797 687851068 /nfs/dbraw/zinc/85/10/68/687851068.db2.gz SIHVRZBYIMOSHT-UHFFFAOYSA-N 1 1 285.388 1.813 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000139761295 687996334 /nfs/dbraw/zinc/99/63/34/687996334.db2.gz DQGKYUDOGYEGCA-GFCCVEGCSA-N 1 1 294.380 1.975 20 5 CDBDMO COc1cc(F)c([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000791053050 688005494 /nfs/dbraw/zinc/00/54/94/688005494.db2.gz ABORDWJNMLEMFM-MRVPVSSYSA-N 1 1 272.276 1.770 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1cccc([N+](=O)[O-])c1C ZINC000933867952 688011126 /nfs/dbraw/zinc/01/11/26/688011126.db2.gz VQSJNTWNTYTFDT-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO COc1ccc(C[C@@H](C)n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170306434 1162329539 /nfs/dbraw/zinc/32/95/39/1162329539.db2.gz VADHROSLVXAGNR-SECBINFHSA-N 1 1 291.311 1.457 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000136299279 1175828695 /nfs/dbraw/zinc/82/86/95/1175828695.db2.gz CCSFWAYLFCXBHR-JTQLQIEISA-N 1 1 279.296 1.497 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2CC([NH3+])C2)c1F ZINC001173182634 912280550 /nfs/dbraw/zinc/28/05/50/912280550.db2.gz IWIZOBAFZNFHST-IDKOKCKLSA-N 1 1 297.330 1.753 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1COC[C@@H]1C[N@H+](C)CCO1 ZINC001223537231 901636679 /nfs/dbraw/zinc/63/66/79/901636679.db2.gz DXGKGNYJXVGPMW-LBPRGKRZSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1COC[C@@H]1C[N@@H+](C)CCO1 ZINC001223537231 901636685 /nfs/dbraw/zinc/63/66/85/901636685.db2.gz DXGKGNYJXVGPMW-LBPRGKRZSA-N 1 1 280.324 1.750 20 5 CDBDMO [NH2+]=C(Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)SCC[NH3+] ZINC001167915375 902212557 /nfs/dbraw/zinc/21/25/57/902212557.db2.gz GXDHJRRPNMKGIS-UHFFFAOYSA-N 1 1 284.297 1.332 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168963857 927587644 /nfs/dbraw/zinc/58/76/44/927587644.db2.gz QIHPEVSJKQIMOZ-VXGBXAGGSA-N 1 1 284.356 1.897 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168963852 927587905 /nfs/dbraw/zinc/58/79/05/927587905.db2.gz QIHPEVSJKQIMOZ-NWDGAFQWSA-N 1 1 284.356 1.897 20 5 CDBDMO CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168966181 927589671 /nfs/dbraw/zinc/58/96/71/927589671.db2.gz GXUFKIIWYPIUSX-JHJVBQTASA-N 1 1 255.362 1.363 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2noc(C(F)(F)F)n2)C1 ZINC001168968883 927592332 /nfs/dbraw/zinc/59/23/32/927592332.db2.gz AQLMCDPNOGSORO-RNFRBKRXSA-N 1 1 294.233 1.623 20 5 CDBDMO COC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974614 927596645 /nfs/dbraw/zinc/59/66/45/927596645.db2.gz RIHMJJCZDWQVKG-MXWKQRLJSA-N 1 1 290.385 1.316 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@H]1O ZINC001169010580 927618227 /nfs/dbraw/zinc/61/82/27/927618227.db2.gz DUTALOKRFXLJOE-XQHKEYJVSA-N 1 1 256.346 1.525 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1C ZINC001169034550 927640729 /nfs/dbraw/zinc/64/07/29/927640729.db2.gz HRWAIPKSSFNWCW-UMSGYPCISA-N 1 1 284.356 1.705 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169034256 927641110 /nfs/dbraw/zinc/64/11/10/927641110.db2.gz GKQVKUDPUOSMLT-GXSJLCMTSA-N 1 1 250.302 1.181 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169034256 927641120 /nfs/dbraw/zinc/64/11/20/927641120.db2.gz GKQVKUDPUOSMLT-GXSJLCMTSA-N 1 1 250.302 1.181 20 5 CDBDMO CN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039151 927651049 /nfs/dbraw/zinc/65/10/49/927651049.db2.gz NSZTYQGBNQEKHV-NWDGAFQWSA-N 1 1 255.362 1.458 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055392 927671673 /nfs/dbraw/zinc/67/16/73/927671673.db2.gz PWOOVRCVUXPBDB-MRVWCRGKSA-N 1 1 295.383 1.422 20 5 CDBDMO CCN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053584 927673438 /nfs/dbraw/zinc/67/34/38/927673438.db2.gz JBVXPIHHMMHRKA-STQMWFEESA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053584 927673442 /nfs/dbraw/zinc/67/34/42/927673442.db2.gz JBVXPIHHMMHRKA-STQMWFEESA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@H+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053584 927673448 /nfs/dbraw/zinc/67/34/48/927673448.db2.gz JBVXPIHHMMHRKA-STQMWFEESA-N 1 1 269.389 1.848 20 5 CDBDMO COCCCC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057900 927675128 /nfs/dbraw/zinc/67/51/28/927675128.db2.gz YUSTVEHWSDJWFN-GJZGRUSLSA-N 1 1 299.415 1.476 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)C2CCC2)cc1 ZINC000784392509 937300406 /nfs/dbraw/zinc/30/04/06/937300406.db2.gz HULOBQKWAZKKAS-AWEZNQCLSA-N 1 1 280.324 1.475 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])ccc1Cl ZINC001170900186 930700397 /nfs/dbraw/zinc/70/03/97/930700397.db2.gz PXPRRYQZCIKRQZ-SNVBAGLBSA-N 1 1 258.709 1.684 20 5 CDBDMO COc1nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263002 938471253 /nfs/dbraw/zinc/47/12/53/938471253.db2.gz ZVDLXEWSAIYETP-CMPLNLGQSA-N 1 1 292.339 1.529 20 5 CDBDMO C[N@@H+](C1CN(c2ncc([N+](=O)[O-])cc2F)C1)[C@H]1CCOC1 ZINC001158731754 938658101 /nfs/dbraw/zinc/65/81/01/938658101.db2.gz XKMRLGHSVULUPF-VIFPVBQESA-N 1 1 296.302 1.038 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162336600 939027391 /nfs/dbraw/zinc/02/73/91/939027391.db2.gz FHFMQWNPSGQCGE-LBPRGKRZSA-N 1 1 265.317 1.468 20 5 CDBDMO CCN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163584116 939289773 /nfs/dbraw/zinc/28/97/73/939289773.db2.gz GQWLOCGMHWJCKV-VOTSOKGWSA-N 1 1 250.302 1.978 20 5 CDBDMO C[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224108718 941720347 /nfs/dbraw/zinc/72/03/47/941720347.db2.gz JWNYICPVVVOWFA-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225628065 941890660 /nfs/dbraw/zinc/89/06/60/941890660.db2.gz MKZXQZZTHHZSFC-IAZYJMLFSA-N 1 1 263.297 1.994 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cncc([N+](=O)[O-])c1)C2 ZINC001227988920 942252543 /nfs/dbraw/zinc/25/25/43/942252543.db2.gz ZJDKTFKBOSMYAK-PEGIJTEDSA-N 1 1 263.297 1.994 20 5 CDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001230315238 942606092 /nfs/dbraw/zinc/60/60/92/942606092.db2.gz LXJQIGPNCBEBRI-LBPRGKRZSA-N 1 1 293.279 1.976 20 5 CDBDMO CC(C)(O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001262240210 946543525 /nfs/dbraw/zinc/54/35/25/946543525.db2.gz WWMZEQKHBLQSRA-UHFFFAOYSA-N 1 1 252.314 1.536 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001254551809 947522910 /nfs/dbraw/zinc/52/29/10/947522910.db2.gz GANABDGCEVRGNV-MJVIPROJSA-N 1 1 264.325 1.838 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001254603329 947553392 /nfs/dbraw/zinc/55/33/92/947553392.db2.gz MNMRBLACUMEVHM-TUKIKUTGSA-N 1 1 274.320 1.783 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001252538271 951422733 /nfs/dbraw/zinc/42/27/33/951422733.db2.gz VYBMMIRNEFPLKV-UHFFFAOYSA-N 1 1 279.271 1.336 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC001324437619 953387368 /nfs/dbraw/zinc/38/73/68/953387368.db2.gz DQPYVAYMRLRAIW-UHFFFAOYSA-N 1 1 267.329 1.877 20 5 CDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272772 956075992 /nfs/dbraw/zinc/07/59/92/956075992.db2.gz DTGHULHSUXBTKX-VXGBXAGGSA-N 1 1 278.312 1.232 20 5 CDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001303469816 956087124 /nfs/dbraw/zinc/08/71/24/956087124.db2.gz MDZWPIICDZHMBX-UHFFFAOYSA-N 1 1 277.284 1.112 20 5 CDBDMO O=C(NCc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC001303551665 956099579 /nfs/dbraw/zinc/09/95/79/956099579.db2.gz XWBWLIUNOJDAPV-UHFFFAOYSA-N 1 1 286.291 1.668 20 5 CDBDMO O=c1ccccn1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001320326011 959085437 /nfs/dbraw/zinc/08/54/37/959085437.db2.gz VAEZIHQURCZQMA-UHFFFAOYSA-N 1 1 299.330 1.815 20 5 CDBDMO O=c1ccccn1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001320326011 959085453 /nfs/dbraw/zinc/08/54/53/959085453.db2.gz VAEZIHQURCZQMA-UHFFFAOYSA-N 1 1 299.330 1.815 20 5 CDBDMO Nc1cc(NCC[NH+]2Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC001339559491 962422694 /nfs/dbraw/zinc/42/26/94/962422694.db2.gz LHHHJLCEXVFGFP-UHFFFAOYSA-N 1 1 299.334 2.000 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]21 ZINC001339629615 962455161 /nfs/dbraw/zinc/45/51/61/962455161.db2.gz PFSQVYGDERNHHH-CMPLNLGQSA-N 1 1 291.355 1.493 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001515580859 969903291 /nfs/dbraw/zinc/90/32/91/969903291.db2.gz HROQSNIWWUTIBG-VIFPVBQESA-N 1 1 265.317 1.102 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830776 976360354 /nfs/dbraw/zinc/36/03/54/976360354.db2.gz SSLBLMJYNBYLNC-CYBMUJFWSA-N 1 1 291.351 1.738 20 5 CDBDMO O=C(Oc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC001574428872 1170979925 /nfs/dbraw/zinc/97/99/25/1170979925.db2.gz DTWVWUBKDWXWSM-SNVBAGLBSA-N 1 1 254.217 1.391 20 5 CDBDMO CC(=O)NCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601103018 342464849 /nfs/dbraw/zinc/46/48/49/342464849.db2.gz KMILWUCAXBSTOR-UHFFFAOYSA-N 1 1 288.307 1.503 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H](O)C[C@@H]3CO)c2c1 ZINC000601136092 342476484 /nfs/dbraw/zinc/47/64/84/342476484.db2.gz ODDXEXXNVMYQPK-MNOVXSKESA-N 1 1 289.291 1.075 20 5 CDBDMO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)[N@@H+]1C ZINC000590146296 342523034 /nfs/dbraw/zinc/52/30/34/342523034.db2.gz RCLIIPPUPBXBQD-AOOOYVTPSA-N 1 1 290.327 1.166 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580318 342577461 /nfs/dbraw/zinc/57/74/61/342577461.db2.gz AIGSJMPXMAWLDO-CMPLNLGQSA-N 1 1 291.355 1.493 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860439 342079464 /nfs/dbraw/zinc/07/94/64/342079464.db2.gz LOQZKAAUKHKAQM-ZDUSSCGKSA-N 1 1 290.323 1.284 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062000 342614928 /nfs/dbraw/zinc/61/49/28/342614928.db2.gz QNCGPBJMXMVOGM-LBPRGKRZSA-N 1 1 264.329 1.913 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000591145698 342618497 /nfs/dbraw/zinc/61/84/97/342618497.db2.gz FLYZNZDBWZOZSR-JTQLQIEISA-N 1 1 298.318 1.286 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000591145698 342618498 /nfs/dbraw/zinc/61/84/98/342618498.db2.gz FLYZNZDBWZOZSR-JTQLQIEISA-N 1 1 298.318 1.286 20 5 CDBDMO COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000591473299 342634313 /nfs/dbraw/zinc/63/43/13/342634313.db2.gz DCUYYDTZPOTULN-TXEJJXNPSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593108970 342769309 /nfs/dbraw/zinc/76/93/09/342769309.db2.gz FGKZMNXWCWXNNV-SNVBAGLBSA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000593730807 342830263 /nfs/dbraw/zinc/83/02/63/342830263.db2.gz HHQJASITFUEGBU-NWDGAFQWSA-N 1 1 281.360 1.241 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419792 342903138 /nfs/dbraw/zinc/90/31/38/342903138.db2.gz RLQRULLASIAIHI-QWRGUYRKSA-N 1 1 293.327 1.065 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000158549987 342290389 /nfs/dbraw/zinc/29/03/89/342290389.db2.gz SHZBSKLZWANCRD-BDAKNGLRSA-N 1 1 251.290 1.279 20 5 CDBDMO COC[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595336621 343029450 /nfs/dbraw/zinc/02/94/50/343029450.db2.gz ZQDOQQSLXNFJKK-SECBINFHSA-N 1 1 255.274 1.360 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595336621 343029451 /nfs/dbraw/zinc/02/94/51/343029451.db2.gz ZQDOQQSLXNFJKK-SECBINFHSA-N 1 1 255.274 1.360 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595399354 343048631 /nfs/dbraw/zinc/04/86/31/343048631.db2.gz ZOHGPCRRIVFPMH-PSASIEDQSA-N 1 1 269.301 1.627 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000078403983 342336716 /nfs/dbraw/zinc/33/67/16/342336716.db2.gz POVKZTUFOUAOKU-LBPRGKRZSA-N 1 1 292.339 1.148 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595769811 343146628 /nfs/dbraw/zinc/14/66/28/343146628.db2.gz MCVFTBKMBPXDKF-SMDDNHRTSA-N 1 1 280.324 1.819 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595736400 343135791 /nfs/dbraw/zinc/13/57/91/343135791.db2.gz FNRUPNYIAPKLNL-CQSZACIVSA-N 1 1 296.323 1.321 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596097546 343235353 /nfs/dbraw/zinc/23/53/53/343235353.db2.gz ZAMRRFOUTFBZDU-JTQLQIEISA-N 1 1 280.328 1.839 20 5 CDBDMO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000596247907 343273798 /nfs/dbraw/zinc/27/37/98/343273798.db2.gz TUFQHDWWMKODPW-DTORHVGOSA-N 1 1 266.301 1.224 20 5 CDBDMO CC[NH+](CC)Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000600971163 342377868 /nfs/dbraw/zinc/37/78/68/342377868.db2.gz VGIXFSMPCLXQIL-UHFFFAOYSA-N 1 1 276.300 1.412 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000596335848 343297881 /nfs/dbraw/zinc/29/78/81/343297881.db2.gz JMSQUXJDMGVXNV-VIFPVBQESA-N 1 1 265.317 1.670 20 5 CDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000139670037 342432750 /nfs/dbraw/zinc/43/27/50/342432750.db2.gz XVUUQJRHYANLMW-NSHDSACASA-N 1 1 290.323 1.953 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000051423364 344284180 /nfs/dbraw/zinc/28/41/80/344284180.db2.gz RCFCYZDWLSKIIU-CYBMUJFWSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000602775613 344578115 /nfs/dbraw/zinc/57/81/15/344578115.db2.gz KIBCSMAJADFHHF-JQWIXIFHSA-N 1 1 282.344 1.335 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000602882077 344633631 /nfs/dbraw/zinc/63/36/31/344633631.db2.gz IHDIHTUTYIMJNR-YPMHNXCESA-N 1 1 296.371 1.583 20 5 CDBDMO COc1cc([N+](=O)[O-])cn(CC[C@H]2CCCC[N@H+]2C)c1=O ZINC000603363169 344784236 /nfs/dbraw/zinc/78/42/36/344784236.db2.gz SLXZBUPRVPMPEB-LLVKDONJSA-N 1 1 295.339 1.640 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000293052494 362528569 /nfs/dbraw/zinc/52/85/69/362528569.db2.gz HZGIWGTUKIZKDO-AWEZNQCLSA-N 1 1 264.325 1.984 20 5 CDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000046602022 345648987 /nfs/dbraw/zinc/64/89/87/345648987.db2.gz LPWDYEAAZKQRDF-UHFFFAOYSA-N 1 1 293.279 1.356 20 5 CDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000046602022 345648988 /nfs/dbraw/zinc/64/89/88/345648988.db2.gz LPWDYEAAZKQRDF-UHFFFAOYSA-N 1 1 293.279 1.356 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000612792256 347281102 /nfs/dbraw/zinc/28/11/02/347281102.db2.gz GBKKBMQOUQCICR-ZJUUUORDSA-N 1 1 265.317 1.304 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000066959120 349008262 /nfs/dbraw/zinc/00/82/62/349008262.db2.gz FBJUHOVXYSIDQX-UHFFFAOYSA-N 1 1 257.315 1.338 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079770823 350967082 /nfs/dbraw/zinc/96/70/82/350967082.db2.gz QMPGEKRZHUKGFW-CQSZACIVSA-N 1 1 264.325 1.840 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCOCC1 ZINC000161491742 363079515 /nfs/dbraw/zinc/07/95/15/363079515.db2.gz NVTVMKJLTCCWBZ-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292041143 198142421 /nfs/dbraw/zinc/14/24/21/198142421.db2.gz AMCLOALMSDNRNA-LLVKDONJSA-N 1 1 298.339 1.685 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)nc1C ZINC000157708645 188333372 /nfs/dbraw/zinc/33/33/72/188333372.db2.gz CDCXQQCJYYDGEO-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516923 192184287 /nfs/dbraw/zinc/18/42/87/192184287.db2.gz XXDSELGFRYFYLH-UHFFFAOYSA-N 1 1 284.291 1.807 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000286465672 356460188 /nfs/dbraw/zinc/46/01/88/356460188.db2.gz VJCFNUPVWMVGQS-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000286465672 356460190 /nfs/dbraw/zinc/46/01/90/356460190.db2.gz VJCFNUPVWMVGQS-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000193856494 363531036 /nfs/dbraw/zinc/53/10/36/363531036.db2.gz VSDJNKSAUAOXNC-SSDOTTSWSA-N 1 1 256.331 1.946 20 5 CDBDMO C[C@@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182241153 357425036 /nfs/dbraw/zinc/42/50/36/357425036.db2.gz PYBAGLMMSIAEEC-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO Cc1c(C[N@@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286618284 357589946 /nfs/dbraw/zinc/58/99/46/357589946.db2.gz XMZHDOQYLCYEFZ-UHFFFAOYSA-N 1 1 251.286 1.210 20 5 CDBDMO Cc1cc(NC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000220204400 358044467 /nfs/dbraw/zinc/04/44/67/358044467.db2.gz XRPYIWGQNFHVON-SNVBAGLBSA-N 1 1 250.302 1.804 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190905610 358099212 /nfs/dbraw/zinc/09/92/12/358099212.db2.gz IEEOCHHDEBDUGS-NEPJUHHUSA-N 1 1 280.324 1.534 20 5 CDBDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000361374550 358171287 /nfs/dbraw/zinc/17/12/87/358171287.db2.gz XRMLXHJZUDCHQD-ZWNOBZJWSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000361374550 358171289 /nfs/dbraw/zinc/17/12/89/358171289.db2.gz XRMLXHJZUDCHQD-ZWNOBZJWSA-N 1 1 293.323 1.643 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000592134071 358588897 /nfs/dbraw/zinc/58/88/97/358588897.db2.gz JQBFKBHGLAUIAY-SNVBAGLBSA-N 1 1 268.317 1.328 20 5 CDBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000592134071 358588900 /nfs/dbraw/zinc/58/89/00/358588900.db2.gz JQBFKBHGLAUIAY-SNVBAGLBSA-N 1 1 268.317 1.328 20 5 CDBDMO COC(=O)C1([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000159203159 358817063 /nfs/dbraw/zinc/81/70/63/358817063.db2.gz HKQQNHYIPSJEAD-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO COC(=O)C1([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CCCC1 ZINC000159203159 358817064 /nfs/dbraw/zinc/81/70/64/358817064.db2.gz HKQQNHYIPSJEAD-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906760 359004647 /nfs/dbraw/zinc/00/46/47/359004647.db2.gz IXCRLDGXDQYQNI-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112926669 359366586 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ASJFEGDNFCVVPT-TVQRCGJNSA-N 1 1 266.297 1.503 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](CC(C)(C)O)C1CC1 ZINC000331510790 374966447 /nfs/dbraw/zinc/96/64/47/374966447.db2.gz PLZPCBLKXZKPLV-UHFFFAOYSA-N 1 1 268.317 1.064 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CC(C)(C)O)C1CC1 ZINC000331510790 374966452 /nfs/dbraw/zinc/96/64/52/374966452.db2.gz PLZPCBLKXZKPLV-UHFFFAOYSA-N 1 1 268.317 1.064 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246088 374914731 /nfs/dbraw/zinc/91/47/31/374914731.db2.gz MCHRFLQFUKGXMN-QWHCGFSZSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000280120391 374982103 /nfs/dbraw/zinc/98/21/03/374982103.db2.gz BOYJWCPQADMOON-LLVKDONJSA-N 1 1 269.326 1.354 20 5 CDBDMO CC1=CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280820738 375026658 /nfs/dbraw/zinc/02/66/58/375026658.db2.gz NHPXGRHBZJLHIL-CQSZACIVSA-N 1 1 292.335 1.987 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 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267.333 1.533 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352781512 375538474 /nfs/dbraw/zinc/53/84/74/375538474.db2.gz SVUPXUPCJINXRV-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352781512 375538480 /nfs/dbraw/zinc/53/84/80/375538480.db2.gz SVUPXUPCJINXRV-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000353235798 375589644 /nfs/dbraw/zinc/58/96/44/375589644.db2.gz SAHFLBLJUASLAS-NXEZZACHSA-N 1 1 295.343 1.263 20 5 CDBDMO CC1(C)[C@H]([NH3+])C[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000603435232 375565743 /nfs/dbraw/zinc/56/57/43/375565743.db2.gz WEEWHRHSCZILEM-CHWSQXEVSA-N 1 1 279.340 1.689 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000354008314 375667201 /nfs/dbraw/zinc/66/72/01/375667201.db2.gz SEOKFMQWRDXQBJ-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000354621750 375733651 /nfs/dbraw/zinc/73/36/51/375733651.db2.gz YTJHRKMULTZRHW-SKDRFNHKSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H](C1CCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034811 375877480 /nfs/dbraw/zinc/87/74/80/375877480.db2.gz JHICATZRYJFNIW-MFKMUULPSA-N 1 1 282.344 1.273 20 5 CDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264436542 190109443 /nfs/dbraw/zinc/10/94/43/190109443.db2.gz BGJXDPDYJGNJMQ-NSHDSACASA-N 1 1 293.323 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000171774749 377016435 /nfs/dbraw/zinc/01/64/35/377016435.db2.gz WSEKFIZMXYWOMP-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000173494468 378481390 /nfs/dbraw/zinc/48/13/90/378481390.db2.gz WOIDLNLAVXMILT-NSHDSACASA-N 1 1 296.323 1.439 20 5 CDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332464 250024194 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BAHNBYSDJWDPET-SNVBAGLBSA-N 1 1 252.270 1.686 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000697875865 909420339 /nfs/dbraw/zinc/42/03/39/909420339.db2.gz ZJJCGZWETDHTAA-UHFFFAOYSA-N 1 1 283.715 1.684 20 5 CDBDMO CN1CCN(C(=[NH2+])Nc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001168736376 921876995 /nfs/dbraw/zinc/87/69/95/921876995.db2.gz GCSSXQSUVCNYNR-UHFFFAOYSA-N 1 1 299.281 1.467 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008062 927612221 /nfs/dbraw/zinc/61/22/21/927612221.db2.gz RILSWJRQCICKFM-XQQFMLRXSA-N 1 1 256.346 1.669 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037052 927646910 /nfs/dbraw/zinc/64/69/10/927646910.db2.gz IDQHMOIOSRAXHB-UTUOFQBUSA-N 1 1 289.326 1.457 20 5 CDBDMO Cn1ncc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169043818 927657053 /nfs/dbraw/zinc/65/70/53/927657053.db2.gz HVZAVBKJWSGWON-ZYHUDNBSSA-N 1 1 264.329 1.224 20 5 CDBDMO O=C1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044821 927657177 /nfs/dbraw/zinc/65/71/77/927657177.db2.gz IYQWWZJJRLTGOV-SCRDCRAPSA-N 1 1 282.340 1.603 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cccs2)C1 ZINC001169023189 927662689 /nfs/dbraw/zinc/66/26/89/927662689.db2.gz DJGZWSIQYDIPDE-NEPJUHHUSA-N 1 1 284.381 1.988 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@H]2c2cccnc2)C1 ZINC001169046698 927666152 /nfs/dbraw/zinc/66/61/52/927666152.db2.gz LYLFDHNUAGFNJL-YUELXQCFSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@H]2c2cccnc2)C1 ZINC001169046698 927666154 /nfs/dbraw/zinc/66/61/54/927666154.db2.gz LYLFDHNUAGFNJL-YUELXQCFSA-N 1 1 291.351 1.900 20 5 CDBDMO CC[N@@H+](CCn1ccnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049143 927666241 /nfs/dbraw/zinc/66/62/41/927666241.db2.gz VZXDBLBSXXZPKE-OLZOCXBDSA-N 1 1 266.345 1.650 20 5 CDBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169051286 927669018 /nfs/dbraw/zinc/66/90/18/927669018.db2.gz CRWKRDRHJJTBMR-TUAOUCFPSA-N 1 1 269.345 1.032 20 5 CDBDMO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC2(CCCC2)N1 ZINC001169056303 927672357 /nfs/dbraw/zinc/67/23/57/927672357.db2.gz RLTVNZIJJOBYGV-NEPJUHHUSA-N 1 1 281.356 1.176 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCOCC2)cc1 ZINC000776579130 927755113 /nfs/dbraw/zinc/75/51/13/927755113.db2.gz JZMFPLWHXSTKNL-CYBMUJFWSA-N 1 1 266.297 1.351 20 5 CDBDMO N=C(NCCCC[NH3+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001157094574 929188659 /nfs/dbraw/zinc/18/86/59/929188659.db2.gz UCGXUFKLGJURGC-UHFFFAOYSA-N 1 1 286.723 1.318 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1C ZINC001152817718 937390338 /nfs/dbraw/zinc/39/03/38/937390338.db2.gz ZANPXYUTTURSDE-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1C ZINC001152817718 937390342 /nfs/dbraw/zinc/39/03/42/937390342.db2.gz ZANPXYUTTURSDE-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817952706 930643748 /nfs/dbraw/zinc/64/37/48/930643748.db2.gz KWPFCGLSMBAOSA-IUCAKERBSA-N 1 1 252.318 1.565 20 5 CDBDMO COc1cccc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170900641 930703037 /nfs/dbraw/zinc/70/30/37/930703037.db2.gz XIJSCDIQPZGAGU-SNVBAGLBSA-N 1 1 254.290 1.039 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105846 930759255 /nfs/dbraw/zinc/75/92/55/930759255.db2.gz QFBTYKFAZAYKCL-ZLDLUXBVSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105846 930759262 /nfs/dbraw/zinc/75/92/62/930759262.db2.gz QFBTYKFAZAYKCL-ZLDLUXBVSA-N 1 1 293.367 1.701 20 5 CDBDMO CCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885963964 930779975 /nfs/dbraw/zinc/77/99/75/930779975.db2.gz UBRXDJOLCIGRSG-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO CC1(O)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886040284 930794640 /nfs/dbraw/zinc/79/46/40/930794640.db2.gz VZFALWXGKVDUDH-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1O ZINC000886147466 930814538 /nfs/dbraw/zinc/81/45/38/930814538.db2.gz UEDUXRFKZQXGHX-MWLCHTKSSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1O ZINC000886147466 930814545 /nfs/dbraw/zinc/81/45/45/930814545.db2.gz UEDUXRFKZQXGHX-MWLCHTKSSA-N 1 1 251.286 1.193 20 5 CDBDMO COCCO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886157947 930816885 /nfs/dbraw/zinc/81/68/85/930816885.db2.gz OLPOXSKNXORHNP-GFCCVEGCSA-N 1 1 281.312 1.227 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886157947 930816893 /nfs/dbraw/zinc/81/68/93/930816893.db2.gz OLPOXSKNXORHNP-GFCCVEGCSA-N 1 1 281.312 1.227 20 5 CDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886229927 930833283 /nfs/dbraw/zinc/83/32/83/930833283.db2.gz YDFKSLZMQDYDBN-MWLCHTKSSA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886229927 930833293 /nfs/dbraw/zinc/83/32/93/930833293.db2.gz YDFKSLZMQDYDBN-MWLCHTKSSA-N 1 1 251.286 1.335 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000886239402 930836441 /nfs/dbraw/zinc/83/64/41/930836441.db2.gz WDBUYOXKXXDOBQ-NSHDSACASA-N 1 1 265.313 1.584 20 5 CDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)C1 ZINC001156581231 938388458 /nfs/dbraw/zinc/38/84/58/938388458.db2.gz WTUPLRILJRCNDZ-VIFPVBQESA-N 1 1 294.311 1.283 20 5 CDBDMO CC[N@H+]1CCCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001163773436 939328133 /nfs/dbraw/zinc/32/81/33/939328133.db2.gz BUDRFXFNACAPHF-UHFFFAOYSA-N 1 1 265.317 1.225 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701386 941784571 /nfs/dbraw/zinc/78/45/71/941784571.db2.gz FKPUOVRVUMXBJF-UONOGXRCSA-N 1 1 279.340 1.900 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227108098 942133729 /nfs/dbraw/zinc/13/37/29/942133729.db2.gz JXDRSSFTVXMAFS-JTQLQIEISA-N 1 1 296.283 1.761 20 5 CDBDMO Cc1cccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]c21 ZINC001227272080 942161542 /nfs/dbraw/zinc/16/15/42/942161542.db2.gz QOIBFHJVCRYSQD-LLVKDONJSA-N 1 1 292.359 1.234 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809958 942230306 /nfs/dbraw/zinc/23/03/06/942230306.db2.gz RMMUOPFGMVMKNV-MRVPVSSYSA-O 1 1 251.310 1.137 20 5 CDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230315235 942606586 /nfs/dbraw/zinc/60/65/86/942606586.db2.gz LXJQIGPNCBEBRI-GFCCVEGCSA-N 1 1 293.279 1.976 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001254550441 947522601 /nfs/dbraw/zinc/52/26/01/947522601.db2.gz JUEQFELLNAANRG-RTXFEEFZSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](F)C[C@H]1CO ZINC001254550441 947522615 /nfs/dbraw/zinc/52/26/15/947522615.db2.gz JUEQFELLNAANRG-RTXFEEFZSA-N 1 1 282.315 1.931 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](O)[C@H](F)C1)C2 ZINC001254597295 947547257 /nfs/dbraw/zinc/54/72/57/947547257.db2.gz GXBRVMSCHQUVGF-MGPQQGTHSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](O)[C@H](F)C1)C2 ZINC001254597295 947547260 /nfs/dbraw/zinc/54/72/60/947547260.db2.gz GXBRVMSCHQUVGF-MGPQQGTHSA-N 1 1 280.299 1.467 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1c(C)cncc1[N+](=O)[O-] ZINC001324416062 953378141 /nfs/dbraw/zinc/37/81/41/953378141.db2.gz BPOHORVCKSCMMW-NSHDSACASA-N 1 1 264.329 1.616 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001327800405 955051266 /nfs/dbraw/zinc/05/12/66/955051266.db2.gz LHHWPGSIUBOMGM-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001306917046 956348668 /nfs/dbraw/zinc/34/86/68/956348668.db2.gz BXCFOCSTRZGOIX-LLVKDONJSA-N 1 1 297.359 1.097 20 5 CDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001348318007 965929750 /nfs/dbraw/zinc/92/97/50/965929750.db2.gz QPIDOCVQGLEESW-ZDUSSCGKSA-N 1 1 293.323 1.562 20 5 CDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001348318007 965929759 /nfs/dbraw/zinc/92/97/59/965929759.db2.gz QPIDOCVQGLEESW-ZDUSSCGKSA-N 1 1 293.323 1.562 20 5 CDBDMO CCn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000849329736 969935729 /nfs/dbraw/zinc/93/57/29/969935729.db2.gz UXFGYRFWJLCMNX-CYBMUJFWSA-N 1 1 291.311 1.029 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589209932 342500344 /nfs/dbraw/zinc/50/03/44/342500344.db2.gz YUAUZLAECOMZHH-KTLBGCOUSA-N 1 1 289.335 1.805 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599198905 343979340 /nfs/dbraw/zinc/97/93/40/343979340.db2.gz ALHJJGJEPBNVQX-VIFPVBQESA-N 1 1 299.302 1.221 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590696094 342583659 /nfs/dbraw/zinc/58/36/59/342583659.db2.gz YXYUNAJEUWPJDV-UWVGGRQHSA-N 1 1 250.302 1.519 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000565618644 365686756 /nfs/dbraw/zinc/68/67/56/365686756.db2.gz FCKAIHQMUZXQLN-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000565618644 365686766 /nfs/dbraw/zinc/68/67/66/365686766.db2.gz FCKAIHQMUZXQLN-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2CO)n1 ZINC000594017168 342866246 /nfs/dbraw/zinc/86/62/46/342866246.db2.gz SUADJVZITHTPGP-LLVKDONJSA-N 1 1 268.317 1.028 20 5 CDBDMO COCC[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523131 342227350 /nfs/dbraw/zinc/22/73/50/342227350.db2.gz HYMYTEJFLLCHMQ-RYUDHWBXSA-N 1 1 294.355 1.901 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417709 342902818 /nfs/dbraw/zinc/90/28/18/342902818.db2.gz FENLUEFNKXDNAH-ONGXEEELSA-N 1 1 293.327 1.065 20 5 CDBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384353 342267862 /nfs/dbraw/zinc/26/78/62/342267862.db2.gz MVGLRSHYFWHVFY-LLVKDONJSA-N 1 1 262.313 1.886 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000595344112 343043309 /nfs/dbraw/zinc/04/33/09/343043309.db2.gz LRSVFWVBOFQTAG-ZDUSSCGKSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1[N+](=O)[O-] ZINC000595305688 343031241 /nfs/dbraw/zinc/03/12/41/343031241.db2.gz JAFAYDCZTAWORB-SNVBAGLBSA-N 1 1 296.327 1.369 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1[N+](=O)[O-] ZINC000595305688 343031243 /nfs/dbraw/zinc/03/12/43/343031243.db2.gz JAFAYDCZTAWORB-SNVBAGLBSA-N 1 1 296.327 1.369 20 5 CDBDMO Cc1noc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595408718 343050840 /nfs/dbraw/zinc/05/08/40/343050840.db2.gz SDTSNUZKQUXVRZ-DTWKUNHWSA-N 1 1 268.317 1.416 20 5 CDBDMO CC[N@H+]1CCCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595534697 343091764 /nfs/dbraw/zinc/09/17/64/343091764.db2.gz FALIOLILBRHCOX-JTQLQIEISA-N 1 1 282.344 1.807 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000595568951 343100982 /nfs/dbraw/zinc/10/09/82/343100982.db2.gz YTOBCBLWCYAEMA-QWRGUYRKSA-N 1 1 250.302 1.666 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000595544822 343094707 /nfs/dbraw/zinc/09/47/07/343094707.db2.gz YMVFBNAEXLYKQO-VHSXEESVSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000595544822 343094710 /nfs/dbraw/zinc/09/47/10/343094710.db2.gz YMVFBNAEXLYKQO-VHSXEESVSA-N 1 1 269.301 1.484 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000595767821 343145988 /nfs/dbraw/zinc/14/59/88/343145988.db2.gz DCOAZLQTXDZHPK-CMPLNLGQSA-N 1 1 280.324 1.949 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078583529 342338604 /nfs/dbraw/zinc/33/86/04/342338604.db2.gz FCFADFWBLNKCAL-NSHDSACASA-N 1 1 264.329 1.768 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876232 343178088 /nfs/dbraw/zinc/17/80/88/343178088.db2.gz RCFAWCDEWVPLTR-WFASDCNBSA-N 1 1 294.351 1.924 20 5 CDBDMO CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595781307 343154111 /nfs/dbraw/zinc/15/41/11/343154111.db2.gz FKWYLPBKWMGWBB-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO CN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595781307 343154112 /nfs/dbraw/zinc/15/41/12/343154112.db2.gz FKWYLPBKWMGWBB-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860139 343173957 /nfs/dbraw/zinc/17/39/57/343173957.db2.gz HYJZBJPGYQQBRE-PRHODGIISA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860139 343173958 /nfs/dbraw/zinc/17/39/58/343173958.db2.gz HYJZBJPGYQQBRE-PRHODGIISA-N 1 1 269.301 1.342 20 5 CDBDMO C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000596079049 343227043 /nfs/dbraw/zinc/22/70/43/343227043.db2.gz XIFBBOKBIMUWSC-GHMZBOCLSA-N 1 1 293.371 1.526 20 5 CDBDMO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000596116166 343231826 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CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000602862879 344617892 /nfs/dbraw/zinc/61/78/92/344617892.db2.gz GBSHJEDTGDHKBB-CMPLNLGQSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000602862879 344617893 /nfs/dbraw/zinc/61/78/93/344617893.db2.gz GBSHJEDTGDHKBB-CMPLNLGQSA-N 1 1 282.344 1.599 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602812258 344604369 /nfs/dbraw/zinc/60/43/69/344604369.db2.gz OXRAQXFIBMAMCQ-CYBMUJFWSA-N 1 1 296.371 1.848 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[N@H+]1C ZINC000602846662 344624358 /nfs/dbraw/zinc/62/43/58/344624358.db2.gz QEKHDVKXETVRGI-LBPRGKRZSA-N 1 1 281.360 1.126 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000602882073 344633692 /nfs/dbraw/zinc/63/36/92/344633692.db2.gz IHDIHTUTYIMJNR-AAEUAGOBSA-N 1 1 296.371 1.583 20 5 CDBDMO COc1cc([N+](=O)[O-])cn(CC[C@@H]2CCCC[N@H+]2C)c1=O ZINC000603363170 344784280 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O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccno3)C2)nc1 ZINC000072665108 349128303 /nfs/dbraw/zinc/12/83/03/349128303.db2.gz QCSUHUBCBONIPJ-SNVBAGLBSA-N 1 1 289.295 1.664 20 5 CDBDMO Cc1nn(C)c(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000108079096 186202555 /nfs/dbraw/zinc/20/25/55/186202555.db2.gz FQZUBQWRHNVWLX-JTQLQIEISA-N 1 1 281.360 1.781 20 5 CDBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628258 366057055 /nfs/dbraw/zinc/05/70/55/366057055.db2.gz LUNCFKARVJTYDY-RYUDHWBXSA-N 1 1 282.344 1.274 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(CCC3)C2)n1 ZINC000123240051 187079691 /nfs/dbraw/zinc/07/96/91/187079691.db2.gz YQOVWJZJSJTPCJ-UHFFFAOYSA-N 1 1 250.302 1.667 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292039822 198141934 /nfs/dbraw/zinc/14/19/34/198141934.db2.gz AKVHGQOOAGTOHT-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292400615 198273660 /nfs/dbraw/zinc/27/36/60/198273660.db2.gz LGDDQHDFTLQPRH-GWCFXTLKSA-N 1 1 250.298 1.940 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000155068685 188180635 /nfs/dbraw/zinc/18/06/35/188180635.db2.gz LBYBCTSHXNNMMP-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000155758040 188225960 /nfs/dbraw/zinc/22/59/60/188225960.db2.gz DHLIPMJLGGIYBL-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023221 356741152 /nfs/dbraw/zinc/74/11/52/356741152.db2.gz NUTHAYVFUGCZOZ-ZWNOBZJWSA-N 1 1 250.298 1.940 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000590762384 358511712 /nfs/dbraw/zinc/51/17/12/358511712.db2.gz SAGBZJZXTUODNY-ZWNOBZJWSA-N 1 1 266.297 1.429 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000283410499 357554749 /nfs/dbraw/zinc/55/47/49/357554749.db2.gz VRURJPZHHHQPLG-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)n1 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289.335 1.537 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408203106 358384362 /nfs/dbraw/zinc/38/43/62/358384362.db2.gz KJOGTGLMRJMBIM-LBPRGKRZSA-N 1 1 280.328 1.335 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000060856881 358848334 /nfs/dbraw/zinc/84/83/34/358848334.db2.gz VBLPZGAJQHEGCD-ZDUSSCGKSA-N 1 1 280.324 1.820 20 5 CDBDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104064036 358943922 /nfs/dbraw/zinc/94/39/22/358943922.db2.gz VARCXGHDWRSTTM-CQSZACIVSA-N 1 1 291.351 1.594 20 5 CDBDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104064036 358943925 /nfs/dbraw/zinc/94/39/25/358943925.db2.gz VARCXGHDWRSTTM-CQSZACIVSA-N 1 1 291.351 1.594 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000274593319 358959045 /nfs/dbraw/zinc/95/90/45/358959045.db2.gz RHMCHGIRMCOJTQ-UHFFFAOYSA-N 1 1 267.285 1.354 20 5 CDBDMO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450789675 359003790 /nfs/dbraw/zinc/00/37/90/359003790.db2.gz IUXMWPOWGRZYBP-BETUJISGSA-N 1 1 293.367 1.795 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339825282 359463227 /nfs/dbraw/zinc/46/32/27/359463227.db2.gz ZNVBWSFLAROPHB-ZDUSSCGKSA-N 1 1 282.344 1.538 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000176375300 360254910 /nfs/dbraw/zinc/25/49/10/360254910.db2.gz WEANZEWFKXWZPX-SNVBAGLBSA-N 1 1 295.339 1.417 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884711 360463547 /nfs/dbraw/zinc/46/35/47/360463547.db2.gz LSLWHURGSNHYGH-MWLCHTKSSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000178013238 189085704 /nfs/dbraw/zinc/08/57/04/189085704.db2.gz MTZHGOQGAVEWSM-IINYFYTJSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC000178013238 189085705 /nfs/dbraw/zinc/08/57/05/189085705.db2.gz MTZHGOQGAVEWSM-IINYFYTJSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168371253 361166031 /nfs/dbraw/zinc/16/60/31/361166031.db2.gz BYEGJGINPCESBK-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168371253 361166037 /nfs/dbraw/zinc/16/60/37/361166037.db2.gz BYEGJGINPCESBK-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])c(N)n3)ccc2n1C ZINC000301432923 201006575 /nfs/dbraw/zinc/00/65/75/201006575.db2.gz JIWGWEQVPHSYGS-UHFFFAOYSA-N 1 1 299.294 1.906 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000295196876 239298472 /nfs/dbraw/zinc/29/84/72/239298472.db2.gz JRUVWRJCNPWNLX-NSHDSACASA-N 1 1 287.316 1.430 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202099 364644376 /nfs/dbraw/zinc/64/43/76/364644376.db2.gz PPUXXZBFTOQRKT-LBPRGKRZSA-N 1 1 277.324 1.682 20 5 CDBDMO CC[N@@H+](CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000299309175 364942457 /nfs/dbraw/zinc/94/24/57/364942457.db2.gz DBVBXANQMSYELM-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000270874539 366940552 /nfs/dbraw/zinc/94/05/52/366940552.db2.gz JOQBTJRTHJIQCS-AWEZNQCLSA-N 1 1 289.335 1.792 20 5 CDBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000270874539 366940558 /nfs/dbraw/zinc/94/05/58/366940558.db2.gz JOQBTJRTHJIQCS-AWEZNQCLSA-N 1 1 289.335 1.792 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270874608 366938786 /nfs/dbraw/zinc/93/87/86/366938786.db2.gz JOYFEEULAXEXEZ-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H](O)C1)CC2 ZINC000420932909 244471390 /nfs/dbraw/zinc/47/13/90/244471390.db2.gz IAOSFJBOQRDRJU-WJONMLJTSA-N 1 1 262.309 1.724 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295422800 370211870 /nfs/dbraw/zinc/21/18/70/370211870.db2.gz MAIUSQPJMCZKDU-UHFFFAOYSA-N 1 1 296.371 1.876 20 5 CDBDMO C[C@H]1CC[NH2+]C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422746231 245207562 /nfs/dbraw/zinc/20/75/62/245207562.db2.gz WFKRERGXEHZSMM-SMDDNHRTSA-N 1 1 263.341 1.725 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153833288 374067416 /nfs/dbraw/zinc/06/74/16/374067416.db2.gz FRVSCZNOYOFLOS-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO CCOc1cc(NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000091673744 374099106 /nfs/dbraw/zinc/09/91/06/374099106.db2.gz OVIFVAIYJJRVFT-LBPRGKRZSA-N 1 1 295.339 1.736 20 5 CDBDMO CCOc1cc(NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000091673744 374099115 /nfs/dbraw/zinc/09/91/15/374099115.db2.gz OVIFVAIYJJRVFT-LBPRGKRZSA-N 1 1 295.339 1.736 20 5 CDBDMO Cc1nc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000301666776 374187550 /nfs/dbraw/zinc/18/75/50/374187550.db2.gz XBNCRBCECGDBQD-UHFFFAOYSA-N 1 1 250.302 1.440 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000114486010 374312951 /nfs/dbraw/zinc/31/29/51/374312951.db2.gz OFSXHUPKSCPIIO-GHMZBOCLSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000114486010 374312954 /nfs/dbraw/zinc/31/29/54/374312954.db2.gz OFSXHUPKSCPIIO-GHMZBOCLSA-N 1 1 293.323 1.297 20 5 CDBDMO CCC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318860 374696368 /nfs/dbraw/zinc/69/63/68/374696368.db2.gz QNUSOKKMVAHSME-GJZGRUSLSA-N 1 1 295.383 1.948 20 5 CDBDMO Cc1c([C@H](C)[NH2+]C[C@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310261 374695137 /nfs/dbraw/zinc/69/51/37/374695137.db2.gz YZIPYLNCVBQTDV-RYUDHWBXSA-N 1 1 281.356 1.476 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449516722 374816668 /nfs/dbraw/zinc/81/66/68/374816668.db2.gz HJUFPGQLJKUWIT-MNOVXSKESA-N 1 1 267.354 1.792 20 5 CDBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154847396 374765222 /nfs/dbraw/zinc/76/52/22/374765222.db2.gz CVLWVBIQAYOMDN-HZMBPMFUSA-N 1 1 295.339 1.734 20 5 CDBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154847396 374765225 /nfs/dbraw/zinc/76/52/25/374765225.db2.gz CVLWVBIQAYOMDN-HZMBPMFUSA-N 1 1 295.339 1.734 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410244 374950592 /nfs/dbraw/zinc/95/05/92/374950592.db2.gz PFZPPMIVUQKHLO-VIFPVBQESA-N 1 1 293.327 1.065 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000282219159 375073506 /nfs/dbraw/zinc/07/35/06/375073506.db2.gz YOIHVJKEMFOCCQ-UHFFFAOYSA-N 1 1 282.340 1.734 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000282410422 375084176 /nfs/dbraw/zinc/08/41/76/375084176.db2.gz QDSDPIVCZTWEOC-UFBFGSQYSA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000282410414 375084390 /nfs/dbraw/zinc/08/43/90/375084390.db2.gz QDSDPIVCZTWEOC-PRHODGIISA-N 1 1 281.287 1.348 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)CO ZINC000131853107 375364230 /nfs/dbraw/zinc/36/42/30/375364230.db2.gz UQBYENSVMCTHGF-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)CO ZINC000131853107 375364238 /nfs/dbraw/zinc/36/42/38/375364238.db2.gz UQBYENSVMCTHGF-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193708 375567414 /nfs/dbraw/zinc/56/74/14/375567414.db2.gz DHNMZJKKMRTHJD-WDEREUQCSA-N 1 1 268.317 1.027 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426811228 247067118 /nfs/dbraw/zinc/06/71/18/247067118.db2.gz SGDFQQFWICFFMZ-PHIMTYICSA-N 1 1 264.329 1.950 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357419426 375906763 /nfs/dbraw/zinc/90/67/63/375906763.db2.gz KYPDEOVHDPUWQA-SNVBAGLBSA-N 1 1 282.344 1.773 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000249007446 376116189 /nfs/dbraw/zinc/11/61/89/376116189.db2.gz ZQVQLFNEJNWSDS-MNOVXSKESA-N 1 1 268.313 1.158 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000264602750 190122061 /nfs/dbraw/zinc/12/20/61/190122061.db2.gz NUUFOSNNZTWMSB-JTQLQIEISA-N 1 1 283.303 1.867 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000357405701 377342904 /nfs/dbraw/zinc/34/29/04/377342904.db2.gz BQBTYOGGTUSEQK-NXEZZACHSA-N 1 1 280.328 1.146 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444364595 250129611 /nfs/dbraw/zinc/12/96/11/250129611.db2.gz MDJZLWAIWGORDT-WPRPVWTQSA-N 1 1 295.343 1.093 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3CCO)nc2c1 ZINC000444688329 250168441 /nfs/dbraw/zinc/16/84/41/250168441.db2.gz JDOHNJSURDDEOR-JTQLQIEISA-N 1 1 290.323 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CCO)nc2c1 ZINC000444688329 250168443 /nfs/dbraw/zinc/16/84/43/250168443.db2.gz JDOHNJSURDDEOR-JTQLQIEISA-N 1 1 290.323 1.818 20 5 CDBDMO CCC1(CC)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446717743 250308241 /nfs/dbraw/zinc/30/82/41/250308241.db2.gz UXUGRQURZOCIBO-ZDUSSCGKSA-N 1 1 296.371 1.664 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000174504628 379513780 /nfs/dbraw/zinc/51/37/80/379513780.db2.gz CXPIMVMFYOSQKC-JTQLQIEISA-N 1 1 281.312 1.602 20 5 CDBDMO CC(C)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267102644 190303649 /nfs/dbraw/zinc/30/36/49/190303649.db2.gz UPUUUQVWVAFJPJ-NSHDSACASA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267041486 190298990 /nfs/dbraw/zinc/29/89/90/190298990.db2.gz PCDIXCSAYCJFRM-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267041486 190298991 /nfs/dbraw/zinc/29/89/91/190298991.db2.gz PCDIXCSAYCJFRM-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450538083 251329079 /nfs/dbraw/zinc/32/90/79/251329079.db2.gz YFMIMPKWNZSKRG-NSHDSACASA-N 1 1 279.344 1.401 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491577326 253091854 /nfs/dbraw/zinc/09/18/54/253091854.db2.gz VMGQIDZVJHAZNT-KRZKBDHCSA-N 1 1 289.335 1.771 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951950 390583602 /nfs/dbraw/zinc/58/36/02/390583602.db2.gz GWMRQCZIPFBSEG-VIFPVBQESA-N 1 1 270.358 1.970 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537909 390630565 /nfs/dbraw/zinc/63/05/65/390630565.db2.gz IWTJGPCRFKZKJY-VXGBXAGGSA-N 1 1 282.344 1.538 20 5 CDBDMO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451751125 390644980 /nfs/dbraw/zinc/64/49/80/390644980.db2.gz SQODJLIGWYBZNH-OASPWFOLSA-N 1 1 266.297 1.347 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451751125 390644985 /nfs/dbraw/zinc/64/49/85/390644985.db2.gz SQODJLIGWYBZNH-OASPWFOLSA-N 1 1 266.297 1.347 20 5 CDBDMO C[N@H+](CCn1ccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179449236 390956017 /nfs/dbraw/zinc/95/60/17/390956017.db2.gz GCEFYJAEUBHSBB-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO C[N@@H+](CCn1ccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179449236 390956018 /nfs/dbraw/zinc/95/60/18/390956018.db2.gz GCEFYJAEUBHSBB-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCCO ZINC000337422075 391152236 /nfs/dbraw/zinc/15/22/36/391152236.db2.gz BPIUPPQPQKMLIX-LLVKDONJSA-N 1 1 268.313 1.597 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000264650684 391294994 /nfs/dbraw/zinc/29/49/94/391294994.db2.gz XCIXINSLFVULNW-ZDUSSCGKSA-N 1 1 292.339 1.347 20 5 CDBDMO CSCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000439481708 391645853 /nfs/dbraw/zinc/64/58/53/391645853.db2.gz LSCOKOGKKATEOU-UHFFFAOYSA-N 1 1 258.347 1.513 20 5 CDBDMO CSCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000439481708 391645856 /nfs/dbraw/zinc/64/58/56/391645856.db2.gz LSCOKOGKKATEOU-UHFFFAOYSA-N 1 1 258.347 1.513 20 5 CDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(O)c1 ZINC000341810369 130071989 /nfs/dbraw/zinc/07/19/89/130071989.db2.gz ULKRPZVIUBBFDZ-SECBINFHSA-N 1 1 276.296 1.885 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921788 130131495 /nfs/dbraw/zinc/13/14/95/130131495.db2.gz UZUJNGGFZIHESV-UHIISALHSA-N 1 1 291.351 1.970 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728861 391793441 /nfs/dbraw/zinc/79/34/41/391793441.db2.gz KSZBBIGRRKDHLI-ZWNOBZJWSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000488053063 392212476 /nfs/dbraw/zinc/21/24/76/392212476.db2.gz OEHCYGKERJEMKV-CYBMUJFWSA-N 1 1 281.360 1.063 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348372666 392874322 /nfs/dbraw/zinc/87/43/22/392874322.db2.gz ZESZNJPRJBISDJ-JTQLQIEISA-N 1 1 264.329 1.829 20 5 CDBDMO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000420981760 392924062 /nfs/dbraw/zinc/92/40/62/392924062.db2.gz GPMSTHOUYYACBJ-LBPRGKRZSA-N 1 1 293.323 1.314 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000420981760 392924064 /nfs/dbraw/zinc/92/40/64/392924064.db2.gz GPMSTHOUYYACBJ-LBPRGKRZSA-N 1 1 293.323 1.314 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000301905520 393012535 /nfs/dbraw/zinc/01/25/35/393012535.db2.gz RJLNJMFONXYBCZ-LBPRGKRZSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000281887565 393161656 /nfs/dbraw/zinc/16/16/56/393161656.db2.gz AQFGGSRUUCNBEJ-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000281887565 393161661 /nfs/dbraw/zinc/16/16/61/393161661.db2.gz AQFGGSRUUCNBEJ-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CCn1nccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000352364802 155136015 /nfs/dbraw/zinc/13/60/15/155136015.db2.gz IQPQVVPLZYYZEM-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO CCn1nccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000352364802 155136017 /nfs/dbraw/zinc/13/60/17/155136017.db2.gz IQPQVVPLZYYZEM-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000106790853 147243669 /nfs/dbraw/zinc/24/36/69/147243669.db2.gz XWMJEPRKLROHFV-JTQLQIEISA-N 1 1 293.323 1.935 20 5 CDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@H+]1C ZINC000343509305 152206120 /nfs/dbraw/zinc/20/61/20/152206120.db2.gz HZCMSRRISOFDDD-ONGXEEELSA-N 1 1 250.302 1.884 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352668939 155341587 /nfs/dbraw/zinc/34/15/87/155341587.db2.gz WADMJQSABOGDJE-WCQYABFASA-N 1 1 293.323 1.039 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585033 152233319 /nfs/dbraw/zinc/23/33/19/152233319.db2.gz CULNFEDJYUOFNV-JTQLQIEISA-N 1 1 280.328 1.527 20 5 CDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccon1 ZINC000349239876 154072394 /nfs/dbraw/zinc/07/23/94/154072394.db2.gz LRDLUQFKEAKQIO-VIFPVBQESA-N 1 1 278.268 1.095 20 5 CDBDMO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352213261 155027045 /nfs/dbraw/zinc/02/70/45/155027045.db2.gz UCTLAUVVMFZUNQ-NWDGAFQWSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352228880 155041676 /nfs/dbraw/zinc/04/16/76/155041676.db2.gz BDKWJMNUGOXZIU-NSHDSACASA-N 1 1 295.339 1.260 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000375584843 160394326 /nfs/dbraw/zinc/39/43/26/160394326.db2.gz PJLYMHOQSRGCFS-VHSXEESVSA-N 1 1 298.368 1.087 20 5 CDBDMO Cc1ccn(C[C@H]2CC[N@H+](C)C2)c(=O)c1[N+](=O)[O-] ZINC000361966847 159027018 /nfs/dbraw/zinc/02/70/18/159027018.db2.gz PGVJVPYOOYMQGV-JTQLQIEISA-N 1 1 251.286 1.017 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373280292 160188715 /nfs/dbraw/zinc/18/87/15/160188715.db2.gz WRPKNFGIOWGAEH-OAHLLOKOSA-N 1 1 292.335 1.950 20 5 CDBDMO C[C@@H](C(=O)N(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285353895 196258386 /nfs/dbraw/zinc/25/83/86/196258386.db2.gz PUEWVIVBJUYECY-NSHDSACASA-N 1 1 279.340 1.546 20 5 CDBDMO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285353895 196258387 /nfs/dbraw/zinc/25/83/87/196258387.db2.gz PUEWVIVBJUYECY-NSHDSACASA-N 1 1 279.340 1.546 20 5 CDBDMO CO[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285469415 196295098 /nfs/dbraw/zinc/29/50/98/196295098.db2.gz BCHMMEFREQGSMI-SNVBAGLBSA-N 1 1 296.323 1.928 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285469415 196295100 /nfs/dbraw/zinc/29/51/00/196295100.db2.gz BCHMMEFREQGSMI-SNVBAGLBSA-N 1 1 296.323 1.928 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569988 196330838 /nfs/dbraw/zinc/33/08/38/196330838.db2.gz HOZUTKBKDVREFX-NWDGAFQWSA-N 1 1 298.339 1.301 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000044537833 175200215 /nfs/dbraw/zinc/20/02/15/175200215.db2.gz JSRHCLZKSLTRKU-SECBINFHSA-N 1 1 251.290 1.139 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000044725683 175238131 /nfs/dbraw/zinc/23/81/31/175238131.db2.gz MNNKLDKRKICDGC-VIFPVBQESA-N 1 1 293.298 1.700 20 5 CDBDMO COc1c(C)c[nH+]c(Cn2cnc([N+](=O)[O-])c2)c1C ZINC000072290066 176361741 /nfs/dbraw/zinc/36/17/41/176361741.db2.gz FIZIMPBAVAZWRR-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000078778679 177386881 /nfs/dbraw/zinc/38/68/81/177386881.db2.gz OQWFTHVCPIAZGU-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000514580994 266003691 /nfs/dbraw/zinc/00/36/91/266003691.db2.gz GUNCDEFJLKWOJY-VHSXEESVSA-N 1 1 279.344 1.612 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000450782551 274118348 /nfs/dbraw/zinc/11/83/48/274118348.db2.gz YDYBHLJTKSZIOD-IINYFYTJSA-N 1 1 277.324 1.744 20 5 CDBDMO C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000046341332 277052552 /nfs/dbraw/zinc/05/25/52/277052552.db2.gz NSUBEUQRWAJZFS-UHFFFAOYSA-N 1 1 253.277 1.876 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(F)(F)C[NH3+] ZINC000423336438 278298435 /nfs/dbraw/zinc/29/84/35/278298435.db2.gz GXIZCJSVNXMAJB-VIFPVBQESA-N 1 1 273.283 1.709 20 5 CDBDMO Cc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362761001 280876211 /nfs/dbraw/zinc/87/62/11/280876211.db2.gz ZLCOGVMGDWLLDY-ZDUSSCGKSA-N 1 1 291.351 1.814 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000272399612 281020521 /nfs/dbraw/zinc/02/05/21/281020521.db2.gz DNJKODBLEZSYIB-MNOVXSKESA-N 1 1 292.339 1.707 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000272399623 281021931 /nfs/dbraw/zinc/02/19/31/281021931.db2.gz DNJKODBLEZSYIB-WDEREUQCSA-N 1 1 292.339 1.707 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000521927783 281079003 /nfs/dbraw/zinc/07/90/03/281079003.db2.gz YJBVCUDMMBRFJE-NSHDSACASA-N 1 1 292.339 1.075 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301629384 281260275 /nfs/dbraw/zinc/26/02/75/281260275.db2.gz CAGUAGIWJUUNKK-STQMWFEESA-N 1 1 277.324 1.422 20 5 CDBDMO Cc1[nH+]ccn1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000562301950 293130844 /nfs/dbraw/zinc/13/08/44/293130844.db2.gz WPIADKXQNSDLEQ-UHFFFAOYSA-N 1 1 280.313 1.095 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228881528 1160498455 /nfs/dbraw/zinc/49/84/55/1160498455.db2.gz GJTHBGHGJYUOPY-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CO ZINC000338596353 522974977 /nfs/dbraw/zinc/97/49/77/522974977.db2.gz HKCUWLRNSXIOSX-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO COC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727268 523058078 /nfs/dbraw/zinc/05/80/78/523058078.db2.gz ZJSPLUWVKGINCZ-UHFFFAOYSA-N 1 1 266.297 1.632 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934712 524935277 /nfs/dbraw/zinc/93/52/77/524935277.db2.gz WVUYNIGECCNQGX-JQWIXIFHSA-N 1 1 266.297 1.429 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386464 526999344 /nfs/dbraw/zinc/99/93/44/526999344.db2.gz NWFOIEPKQAJWQK-CYBMUJFWSA-N 1 1 293.323 1.313 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386464 526999350 /nfs/dbraw/zinc/99/93/50/526999350.db2.gz NWFOIEPKQAJWQK-CYBMUJFWSA-N 1 1 293.323 1.313 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339678345 527415545 /nfs/dbraw/zinc/41/55/45/527415545.db2.gz LFTYPJXDXWVDKZ-TZMCWYRMSA-N 1 1 294.355 1.274 20 5 CDBDMO C[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000725779992 574435705 /nfs/dbraw/zinc/43/57/05/574435705.db2.gz VQTOGOLFKULBIW-VIFPVBQESA-N 1 1 277.280 1.802 20 5 CDBDMO C[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000725779992 574435706 /nfs/dbraw/zinc/43/57/06/574435706.db2.gz VQTOGOLFKULBIW-VIFPVBQESA-N 1 1 277.280 1.802 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000771890128 575632572 /nfs/dbraw/zinc/63/25/72/575632572.db2.gz ADORQIOGGUKJON-UHFFFAOYSA-N 1 1 290.279 1.539 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765059274 575981141 /nfs/dbraw/zinc/98/11/41/575981141.db2.gz BEIFPUHYLPWAQV-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765059274 575981144 /nfs/dbraw/zinc/98/11/44/575981144.db2.gz BEIFPUHYLPWAQV-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO CC[N@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000754080270 576878299 /nfs/dbraw/zinc/87/82/99/576878299.db2.gz SHDSDVJMTLGTOB-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799282 576963447 /nfs/dbraw/zinc/96/34/47/576963447.db2.gz WDLMXTUVJYGMLU-OLZOCXBDSA-N 1 1 294.355 1.724 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000753092645 577145070 /nfs/dbraw/zinc/14/50/70/577145070.db2.gz FQAMTVKJPRTROA-SNVBAGLBSA-N 1 1 295.314 1.724 20 5 CDBDMO CCn1cnc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000933261381 617380060 /nfs/dbraw/zinc/38/00/60/617380060.db2.gz RAOFSUXZCLAHKX-UHFFFAOYSA-N 1 1 290.327 1.066 20 5 CDBDMO CCn1cnc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000933261381 617380061 /nfs/dbraw/zinc/38/00/61/617380061.db2.gz RAOFSUXZCLAHKX-UHFFFAOYSA-N 1 1 290.327 1.066 20 5 CDBDMO O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[NH+](C3CC3)CC2)c1 ZINC000892075922 617464618 /nfs/dbraw/zinc/46/46/18/617464618.db2.gz QCPNXXBXENVZAL-UHFFFAOYSA-N 1 1 292.295 1.787 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891781904 617586293 /nfs/dbraw/zinc/58/62/93/617586293.db2.gz LVWCEUOXZGBTLF-VIFPVBQESA-N 1 1 265.317 1.225 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000934021247 617861210 /nfs/dbraw/zinc/86/12/10/617861210.db2.gz MFVHGCSPACSIFU-LLVKDONJSA-N 1 1 293.323 1.298 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000893941931 618205709 /nfs/dbraw/zinc/20/57/09/618205709.db2.gz XPBGCGXBULUPAU-BDAKNGLRSA-N 1 1 293.352 1.444 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000894787189 619060259 /nfs/dbraw/zinc/06/02/59/619060259.db2.gz FFPHHKSFCHNGHE-GXSJLCMTSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000894787189 619060261 /nfs/dbraw/zinc/06/02/61/619060261.db2.gz FFPHHKSFCHNGHE-GXSJLCMTSA-N 1 1 296.323 1.512 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559327 619379263 /nfs/dbraw/zinc/37/92/63/619379263.db2.gz XSNVNULUIMZKIU-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559327 619379266 /nfs/dbraw/zinc/37/92/66/619379266.db2.gz XSNVNULUIMZKIU-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928562078 619388159 /nfs/dbraw/zinc/38/81/59/619388159.db2.gz DIVCEMYJBNJGMG-SNVBAGLBSA-N 1 1 281.287 1.476 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928562078 619388163 /nfs/dbraw/zinc/38/81/63/619388163.db2.gz DIVCEMYJBNJGMG-SNVBAGLBSA-N 1 1 281.287 1.476 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000928568742 619409097 /nfs/dbraw/zinc/40/90/97/619409097.db2.gz WFYMIVKRDWBBDL-NSHDSACASA-N 1 1 292.339 1.217 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000895476142 619686842 /nfs/dbraw/zinc/68/68/42/619686842.db2.gz QRVWJFAPRCPTNX-UHFFFAOYSA-N 1 1 296.323 1.656 20 5 CDBDMO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000895801498 619851199 /nfs/dbraw/zinc/85/11/99/619851199.db2.gz JIAJLEDLGZEOLS-GFCCVEGCSA-N 1 1 294.355 1.700 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000923890708 621663537 /nfs/dbraw/zinc/66/35/37/621663537.db2.gz SQOKSXIQBHGEKT-NSHDSACASA-N 1 1 296.327 1.207 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000899860603 622486808 /nfs/dbraw/zinc/48/68/08/622486808.db2.gz SGNKKNLMQILOGT-AWEZNQCLSA-N 1 1 263.341 1.690 20 5 CDBDMO COc1cccc([C@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000905028409 626391079 /nfs/dbraw/zinc/39/10/79/626391079.db2.gz STMNRUXGMLVJGW-HNNXBMFYSA-N 1 1 293.367 1.698 20 5 CDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000905160329 626642590 /nfs/dbraw/zinc/64/25/90/626642590.db2.gz RUTMQOXJAUDSTQ-ZDUSSCGKSA-N 1 1 280.324 1.529 20 5 CDBDMO C[N@H+]1CC[C@H](Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000912458997 630009445 /nfs/dbraw/zinc/00/94/45/630009445.db2.gz NIOSMMMWBPSJRH-JTQLQIEISA-N 1 1 288.311 1.200 20 5 CDBDMO CN(CCC[N@H+](C)CC[N+](=O)[O-])Cc1ccco1 ZINC000930476078 696005979 /nfs/dbraw/zinc/00/59/79/696005979.db2.gz OAJLMYKLYOPCJX-UHFFFAOYSA-N 1 1 255.318 1.310 20 5 CDBDMO CN(CCC[N@@H+](C)CC[N+](=O)[O-])Cc1ccco1 ZINC000930476078 696005983 /nfs/dbraw/zinc/00/59/83/696005983.db2.gz OAJLMYKLYOPCJX-UHFFFAOYSA-N 1 1 255.318 1.310 20 5 CDBDMO C[N@H+](CCc1cccs1)Cn1nccc1[N+](=O)[O-] ZINC000173407158 695244128 /nfs/dbraw/zinc/24/41/28/695244128.db2.gz ONAZRALFEQOLOJ-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO C[N@@H+](CCc1cccs1)Cn1nccc1[N+](=O)[O-] ZINC000173407158 695244140 /nfs/dbraw/zinc/24/41/40/695244140.db2.gz ONAZRALFEQOLOJ-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000172894738 695397117 /nfs/dbraw/zinc/39/71/17/695397117.db2.gz IGTNOISJQYIBTF-UHFFFAOYSA-N 1 1 273.296 1.905 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000172894738 695397120 /nfs/dbraw/zinc/39/71/20/695397120.db2.gz IGTNOISJQYIBTF-UHFFFAOYSA-N 1 1 273.296 1.905 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000923316363 695416200 /nfs/dbraw/zinc/41/62/00/695416200.db2.gz TXEOPIYSIROQNQ-VHSXEESVSA-N 1 1 279.296 1.497 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886216172 695418357 /nfs/dbraw/zinc/41/83/57/695418357.db2.gz YOBIZMFKPFXBOL-CMPLNLGQSA-N 1 1 262.313 1.126 20 5 CDBDMO C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CCO ZINC000886279170 695470721 /nfs/dbraw/zinc/47/07/21/695470721.db2.gz RCKULVWDRVJILJ-AAEUAGOBSA-N 1 1 279.340 1.973 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000827573969 695477384 /nfs/dbraw/zinc/47/73/84/695477384.db2.gz QORRHSQAOKVLFH-NWDGAFQWSA-N 1 1 285.388 1.763 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394728 695754581 /nfs/dbraw/zinc/75/45/81/695754581.db2.gz VWAKZUTTXRDQKJ-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO O=[N+]([O-])CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000929197162 695808761 /nfs/dbraw/zinc/80/87/61/695808761.db2.gz RAXJCVGTUOJVBN-UHFFFAOYSA-N 1 1 263.341 1.471 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000792874599 695834824 /nfs/dbraw/zinc/83/48/24/695834824.db2.gz WXZDFCHPKOYGFU-ZDUSSCGKSA-N 1 1 295.295 1.706 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000792874599 695834827 /nfs/dbraw/zinc/83/48/27/695834827.db2.gz WXZDFCHPKOYGFU-ZDUSSCGKSA-N 1 1 295.295 1.706 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)C1 ZINC000876588640 695838366 /nfs/dbraw/zinc/83/83/66/695838366.db2.gz AYMTZRBXPHVNOX-NSHDSACASA-N 1 1 250.298 1.778 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCCO)CC2)cc1F ZINC000128886456 695857451 /nfs/dbraw/zinc/85/74/51/695857451.db2.gz PGHMFBMFAFEEFQ-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c(F)c1 ZINC000782619578 695878826 /nfs/dbraw/zinc/87/88/26/695878826.db2.gz SAAUSYRWTPEICB-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(F)c1 ZINC000782619578 695878827 /nfs/dbraw/zinc/87/88/27/695878827.db2.gz SAAUSYRWTPEICB-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000882490688 695891477 /nfs/dbraw/zinc/89/14/77/695891477.db2.gz UDEFQXPWOMVJSY-JTQLQIEISA-N 1 1 292.339 1.461 20 5 CDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000882484212 695899099 /nfs/dbraw/zinc/89/90/99/695899099.db2.gz VZOILYMKXCXNHI-VIFPVBQESA-N 1 1 269.326 1.480 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000882484212 695899100 /nfs/dbraw/zinc/89/91/00/695899100.db2.gz VZOILYMKXCXNHI-VIFPVBQESA-N 1 1 269.326 1.480 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000837542575 695939885 /nfs/dbraw/zinc/93/98/85/695939885.db2.gz RWGADWUMRMGVLL-UHFFFAOYSA-N 1 1 257.334 1.031 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578564 695968180 /nfs/dbraw/zinc/96/81/80/695968180.db2.gz GKDHEIRPPOTSTM-ZDUSSCGKSA-N 1 1 295.339 1.216 20 5 CDBDMO CCCC[N@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578564 695968181 /nfs/dbraw/zinc/96/81/81/695968181.db2.gz GKDHEIRPPOTSTM-ZDUSSCGKSA-N 1 1 295.339 1.216 20 5 CDBDMO CN(CCC[N@@H+](C)Cc1ccco1)CC[N+](=O)[O-] ZINC000930476078 696005973 /nfs/dbraw/zinc/00/59/73/696005973.db2.gz OAJLMYKLYOPCJX-UHFFFAOYSA-N 1 1 255.318 1.310 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000886033075 696007798 /nfs/dbraw/zinc/00/77/98/696007798.db2.gz RCPCTYFSMFKOTD-SNVBAGLBSA-N 1 1 251.286 1.458 20 5 CDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncn(C)n1 ZINC000866312330 696139782 /nfs/dbraw/zinc/13/97/82/696139782.db2.gz SRSDJTSPWCLETO-SECBINFHSA-N 1 1 293.302 1.583 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931432207 696195039 /nfs/dbraw/zinc/19/50/39/696195039.db2.gz KIYMEHWJWGSTGV-KGLIPLIRSA-N 1 1 275.352 1.978 20 5 CDBDMO C[N@@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931432207 696195042 /nfs/dbraw/zinc/19/50/42/696195042.db2.gz KIYMEHWJWGSTGV-KGLIPLIRSA-N 1 1 275.352 1.978 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931432207 696195046 /nfs/dbraw/zinc/19/50/46/696195046.db2.gz KIYMEHWJWGSTGV-KGLIPLIRSA-N 1 1 275.352 1.978 20 5 CDBDMO C[C@H]1CCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943331 1164885804 /nfs/dbraw/zinc/88/58/04/1164885804.db2.gz RSFQQBJTRPZZRN-IINYFYTJSA-N 1 1 277.324 1.780 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000872773877 1165477870 /nfs/dbraw/zinc/47/78/70/1165477870.db2.gz YKRHVJHACABTCF-GFCCVEGCSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000872773877 1165477874 /nfs/dbraw/zinc/47/78/74/1165477874.db2.gz YKRHVJHACABTCF-GFCCVEGCSA-N 1 1 294.355 1.700 20 5 CDBDMO CC(C)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001753402526 1184531937 /nfs/dbraw/zinc/53/19/37/1184531937.db2.gz PWWDFLYJIGWRRF-UHFFFAOYSA-N 1 1 291.351 1.799 20 5 CDBDMO CN(CC[N@@H+](C)CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753853409 1185361233 /nfs/dbraw/zinc/36/12/33/1185361233.db2.gz XFMBWBAABAUHLH-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CN(CC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753853409 1185361238 /nfs/dbraw/zinc/36/12/38/1185361238.db2.gz XFMBWBAABAUHLH-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CN(CC[N@@H+](C)CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753853409 1185361246 /nfs/dbraw/zinc/36/12/46/1185361246.db2.gz XFMBWBAABAUHLH-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000712264230 723709193 /nfs/dbraw/zinc/70/91/93/723709193.db2.gz YCSKJDJJTWLGJF-LJWDBELGSA-N 1 1 280.299 1.937 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H](C)[NH3+])n2)c1 ZINC000843222438 723728598 /nfs/dbraw/zinc/72/85/98/723728598.db2.gz ICNYXZQMORWASY-ZETCQYMHSA-N 1 1 278.268 1.597 20 5 CDBDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930482093 723720098 /nfs/dbraw/zinc/72/00/98/723720098.db2.gz JLQVWOKMFMMTCH-NSHDSACASA-N 1 1 273.333 1.206 20 5 CDBDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930482093 723720099 /nfs/dbraw/zinc/72/00/99/723720099.db2.gz JLQVWOKMFMMTCH-NSHDSACASA-N 1 1 273.333 1.206 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C)CC1 ZINC000244468922 723748125 /nfs/dbraw/zinc/74/81/25/723748125.db2.gz ZFVDSNDWPPWIRE-UHFFFAOYSA-N 1 1 294.311 1.383 20 5 CDBDMO O=[N+]([O-])CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000791052368 723753321 /nfs/dbraw/zinc/75/33/21/723753321.db2.gz MLIFXTVRBFJLKC-UHFFFAOYSA-N 1 1 269.389 1.851 20 5 CDBDMO CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264383 723753735 /nfs/dbraw/zinc/75/37/35/723753735.db2.gz CFVADBLSJWNAAI-ZIAGYGMSSA-N 1 1 289.335 1.304 20 5 CDBDMO CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264383 723753737 /nfs/dbraw/zinc/75/37/37/723753737.db2.gz CFVADBLSJWNAAI-ZIAGYGMSSA-N 1 1 289.335 1.304 20 5 CDBDMO CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054264383 723753739 /nfs/dbraw/zinc/75/37/39/723753739.db2.gz CFVADBLSJWNAAI-ZIAGYGMSSA-N 1 1 289.335 1.304 20 5 CDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081336 723763491 /nfs/dbraw/zinc/76/34/91/723763491.db2.gz MIORNBXCHLSNDK-LLVKDONJSA-N 1 1 279.296 1.517 20 5 CDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081336 723763492 /nfs/dbraw/zinc/76/34/92/723763492.db2.gz MIORNBXCHLSNDK-LLVKDONJSA-N 1 1 279.296 1.517 20 5 CDBDMO C[N@H+]1CCCC12CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2 ZINC000827747639 723800274 /nfs/dbraw/zinc/80/02/74/723800274.db2.gz PMOPWYUYTHWSTK-UHFFFAOYSA-N 1 1 297.399 1.909 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931651069 724073932 /nfs/dbraw/zinc/07/39/32/724073932.db2.gz DSCWMPJIBSBMST-LLVKDONJSA-N 1 1 281.287 1.348 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000794672149 724333739 /nfs/dbraw/zinc/33/37/39/724333739.db2.gz KCNRETRHQOSBSA-LBPRGKRZSA-N 1 1 268.317 1.294 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000794672149 724333741 /nfs/dbraw/zinc/33/37/41/724333741.db2.gz KCNRETRHQOSBSA-LBPRGKRZSA-N 1 1 268.317 1.294 20 5 CDBDMO C[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000867945131 724456346 /nfs/dbraw/zinc/45/63/46/724456346.db2.gz RHROJTXXOBPBJT-RWSFTLGLSA-N 1 1 291.351 1.883 20 5 CDBDMO CC(C)=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000676209 724485170 /nfs/dbraw/zinc/48/51/70/724485170.db2.gz ZNYZVXOHAXZLBO-ZIAGYGMSSA-N 1 1 293.367 1.366 20 5 CDBDMO CC(C)=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000676209 724485171 /nfs/dbraw/zinc/48/51/71/724485171.db2.gz ZNYZVXOHAXZLBO-ZIAGYGMSSA-N 1 1 293.367 1.366 20 5 CDBDMO CC(C)=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000676209 724485172 /nfs/dbraw/zinc/48/51/72/724485172.db2.gz ZNYZVXOHAXZLBO-ZIAGYGMSSA-N 1 1 293.367 1.366 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932973963 725457420 /nfs/dbraw/zinc/45/74/20/725457420.db2.gz YJCGKJRKVZPQEF-NSHDSACASA-N 1 1 268.317 1.211 20 5 CDBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000158639279 723752872 /nfs/dbraw/zinc/75/28/72/723752872.db2.gz AKUHHYZSNSDUCI-SKDRFNHKSA-N 1 1 291.311 1.108 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000839570078 723918521 /nfs/dbraw/zinc/91/85/21/723918521.db2.gz VVSVRNPEOUNZTD-CHWSQXEVSA-N 1 1 281.356 1.129 20 5 CDBDMO CO[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1C ZINC000886160032 725068824 /nfs/dbraw/zinc/06/88/24/725068824.db2.gz IJABQZZANBOSQW-PWSUYJOCSA-N 1 1 265.313 1.847 20 5 CDBDMO CO[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1C ZINC000886160032 725068826 /nfs/dbraw/zinc/06/88/26/725068826.db2.gz IJABQZZANBOSQW-PWSUYJOCSA-N 1 1 265.313 1.847 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799874 725070972 /nfs/dbraw/zinc/07/09/72/725070972.db2.gz OUHHLDLLRJSXON-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799874 725070975 /nfs/dbraw/zinc/07/09/75/725070975.db2.gz OUHHLDLLRJSXON-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840120767 725242982 /nfs/dbraw/zinc/24/29/82/725242982.db2.gz OFEBYNABHPCFJG-SCRDCRAPSA-N 1 1 294.355 1.683 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446029 725246101 /nfs/dbraw/zinc/24/61/01/725246101.db2.gz BKBPPJHDOQVROL-GWCFXTLKSA-N 1 1 268.313 1.331 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882484902 725324749 /nfs/dbraw/zinc/32/47/49/725324749.db2.gz NFPNVAAAXJLIBF-JTQLQIEISA-N 1 1 281.287 1.558 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097976 725330734 /nfs/dbraw/zinc/33/07/34/725330734.db2.gz HNDWTHCZYZMFNS-RYUDHWBXSA-N 1 1 278.356 1.904 20 5 CDBDMO Cc1nn(C[NH+]2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000789529359 725376035 /nfs/dbraw/zinc/37/60/35/725376035.db2.gz CXAUWJPOAPLVCV-UHFFFAOYSA-N 1 1 294.355 1.950 20 5 CDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178518 725384862 /nfs/dbraw/zinc/38/48/62/725384862.db2.gz UPPGYEPTQZJGFG-WDEREUQCSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178518 725384863 /nfs/dbraw/zinc/38/48/63/725384863.db2.gz UPPGYEPTQZJGFG-WDEREUQCSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959742 725406490 /nfs/dbraw/zinc/40/64/90/725406490.db2.gz IBRQXXBMRTWSMK-QPUJVOFHSA-N 1 1 264.329 1.565 20 5 CDBDMO CCC[N@@H+]1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113711 725408856 /nfs/dbraw/zinc/40/88/56/725408856.db2.gz KGLMSIWXGBWPJE-UKRRQHHQSA-N 1 1 293.367 1.702 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113711 725408857 /nfs/dbraw/zinc/40/88/57/725408857.db2.gz KGLMSIWXGBWPJE-UKRRQHHQSA-N 1 1 293.367 1.702 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000865905007 725417304 /nfs/dbraw/zinc/41/73/04/725417304.db2.gz YXBCRSXFSONWTK-NEPJUHHUSA-N 1 1 261.325 1.983 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000246934706 725958096 /nfs/dbraw/zinc/95/80/96/725958096.db2.gz KZUALTDXNJUBAJ-RYUDHWBXSA-N 1 1 279.344 1.165 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000110696401 726003620 /nfs/dbraw/zinc/00/36/20/726003620.db2.gz NTYSEJKCVGRDQJ-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000110696401 726003622 /nfs/dbraw/zinc/00/36/22/726003622.db2.gz NTYSEJKCVGRDQJ-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001173223031 912310525 /nfs/dbraw/zinc/31/05/25/912310525.db2.gz WPOFYKWXNUSPDR-MISXGVKJSA-N 1 1 264.325 1.838 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)C1 ZINC001173226826 912321211 /nfs/dbraw/zinc/32/12/11/912321211.db2.gz LUUYRFIUOPRREA-YPMHNXCESA-N 1 1 264.325 1.840 20 5 CDBDMO COC[C@@H]1COCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231608 912324712 /nfs/dbraw/zinc/32/47/12/912324712.db2.gz NDBFBQNREJQYMJ-IUODEOHRSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231608 912324739 /nfs/dbraw/zinc/32/47/39/912324739.db2.gz NDBFBQNREJQYMJ-IUODEOHRSA-N 1 1 294.351 1.873 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298562 912955607 /nfs/dbraw/zinc/95/56/07/912955607.db2.gz ZIAUBABBGJJHMC-VWYCJHECSA-N 1 1 296.375 1.072 20 5 CDBDMO Cc1nc(N2CCc3[nH+]ccn3CC2)ccc1[N+](=O)[O-] ZINC001167178418 894812206 /nfs/dbraw/zinc/81/22/06/894812206.db2.gz ZFMFCVKJHGUWQO-UHFFFAOYSA-N 1 1 273.296 1.557 20 5 CDBDMO COc1nc(SC)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001167270040 895008397 /nfs/dbraw/zinc/00/83/97/895008397.db2.gz KVEAPUMGFOQFGN-ZETCQYMHSA-N 1 1 299.356 1.231 20 5 CDBDMO Cc1c(F)cnc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001167270257 895009153 /nfs/dbraw/zinc/00/91/53/895009153.db2.gz QJGKKJJIIVTGMR-QMMMGPOBSA-N 1 1 254.265 1.553 20 5 CDBDMO CNc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)C1 ZINC001167272785 895016721 /nfs/dbraw/zinc/01/67/21/895016721.db2.gz DCPVNURCBCQRLH-QMMMGPOBSA-N 1 1 251.290 1.148 20 5 CDBDMO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001126936953 909939993 /nfs/dbraw/zinc/93/99/93/909939993.db2.gz YMZLBOXIXNRTLX-DGCLKSJQSA-N 1 1 295.314 1.005 20 5 CDBDMO O=C(NCC[NH2+]C/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942764 909997039 /nfs/dbraw/zinc/99/70/39/909997039.db2.gz GQBPZXBNULOYEJ-HMJDLUCASA-N 1 1 289.335 1.071 20 5 CDBDMO N[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899201 912036637 /nfs/dbraw/zinc/03/66/37/912036637.db2.gz MDFGHOARLAVYQG-UONOGXRCSA-N 1 1 275.352 1.875 20 5 CDBDMO N[C@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899201 912036649 /nfs/dbraw/zinc/03/66/49/912036649.db2.gz MDFGHOARLAVYQG-UONOGXRCSA-N 1 1 275.352 1.875 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001168753819 922536949 /nfs/dbraw/zinc/53/69/49/922536949.db2.gz HABGCMQHOQERAK-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029093 927635649 /nfs/dbraw/zinc/63/56/49/927635649.db2.gz UGTUMJIHCIWKSY-JSGCOSHPSA-N 1 1 269.389 1.848 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ncccc3C2)C1 ZINC001169034530 927640155 /nfs/dbraw/zinc/64/01/55/927640155.db2.gz HKBXNNWRIFSLDO-DGCLKSJQSA-N 1 1 261.325 1.885 20 5 CDBDMO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035363 927643670 /nfs/dbraw/zinc/64/36/70/927643670.db2.gz KPSUNJGDKBAGPC-AVGNSLFASA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ccncc3C2)C1 ZINC001169037988 927646717 /nfs/dbraw/zinc/64/67/17/927646717.db2.gz UUOUXVYFWJIMBA-BXUZGUMPSA-N 1 1 261.325 1.885 20 5 CDBDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037754 927646759 /nfs/dbraw/zinc/64/67/59/927646759.db2.gz UCEHNNNKKZEMKY-NWDGAFQWSA-N 1 1 256.346 1.933 20 5 CDBDMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038566 927650213 /nfs/dbraw/zinc/65/02/13/927650213.db2.gz ZRINBFCLTBESJP-UPJWGTAASA-N 1 1 284.356 1.849 20 5 CDBDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169040432 927652866 /nfs/dbraw/zinc/65/28/66/927652866.db2.gz ZVMJSDDKBNGBBG-ITGHMWBKSA-N 1 1 296.367 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC001169039959 927654655 /nfs/dbraw/zinc/65/46/55/927654655.db2.gz WIYCIXAMTRRQCQ-MCIONIFRSA-N 1 1 268.357 1.934 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@H]2C2CC2)C1 ZINC001169047860 927667045 /nfs/dbraw/zinc/66/70/45/927667045.db2.gz RXPBESVLJRKDPF-WXHSDQCUSA-N 1 1 254.330 1.543 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cccnc3)C2)C1 ZINC001169025949 927667117 /nfs/dbraw/zinc/66/71/17/927667117.db2.gz KFKKIJZEFJABLK-IPYPFGDCSA-N 1 1 291.351 1.980 20 5 CDBDMO CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530885 937390581 /nfs/dbraw/zinc/39/05/81/937390581.db2.gz WTKYRLRWOSENFA-VXGBXAGGSA-N 1 1 283.372 1.470 20 5 CDBDMO Cc1noc(C2(C)CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC001119804361 937755895 /nfs/dbraw/zinc/75/58/95/937755895.db2.gz KTVFUVVVNAGHDW-UHFFFAOYSA-N 1 1 254.290 1.008 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157264546 938472027 /nfs/dbraw/zinc/47/20/27/938472027.db2.gz FGDGLYUIUAPPHR-CMPLNLGQSA-N 1 1 277.328 1.224 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C[C@@H]1C ZINC001158494237 938630074 /nfs/dbraw/zinc/63/00/74/938630074.db2.gz XWKVBLZTVTVZCB-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO O=[N+]([O-])c1ccnc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC001160719060 938818076 /nfs/dbraw/zinc/81/80/76/938818076.db2.gz BTZXMEYAKRPBDL-STQMWFEESA-N 1 1 292.339 1.655 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1nc(C)ncc1[N+](=O)[O-])C2 ZINC001165386017 939555058 /nfs/dbraw/zinc/55/50/58/939555058.db2.gz VRTGNTHHRJBURE-UHFFFAOYSA-N 1 1 274.284 1.218 20 5 CDBDMO COc1ccc(CO[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001223651164 941689766 /nfs/dbraw/zinc/68/97/66/941689766.db2.gz SKLIGGZGIVVHMR-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709432 942054586 /nfs/dbraw/zinc/05/45/86/942054586.db2.gz IIMGITFZXYDVCO-UHFFFAOYSA-N 1 1 251.286 1.851 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227809968 942229859 /nfs/dbraw/zinc/22/98/59/942229859.db2.gz RMMUOPFGMVMKNV-QMMMGPOBSA-O 1 1 251.310 1.137 20 5 CDBDMO COC(=O)c1c(O[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229043767 942411586 /nfs/dbraw/zinc/41/15/86/942411586.db2.gz BBBHPROGIBKKAY-JTQLQIEISA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573701 943620086 /nfs/dbraw/zinc/62/00/86/943620086.db2.gz UQTXFKDZHWLNLO-MRVPVSSYSA-N 1 1 267.241 1.586 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(O)C1 ZINC001254553837 947523946 /nfs/dbraw/zinc/52/39/46/947523946.db2.gz ZQIUUIKSIBOBNI-SMDDNHRTSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001254563544 947526421 /nfs/dbraw/zinc/52/64/21/947526421.db2.gz YGCWLXUEHATVQB-BXUZGUMPSA-N 1 1 291.351 1.866 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C(N)=O ZINC001254563544 947526435 /nfs/dbraw/zinc/52/64/35/947526435.db2.gz YGCWLXUEHATVQB-BXUZGUMPSA-N 1 1 291.351 1.866 20 5 CDBDMO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568272 948289999 /nfs/dbraw/zinc/28/99/99/948289999.db2.gz MSMKVHCPTGLJOA-MROQNXINSA-N 1 1 255.362 1.491 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568272 948290004 /nfs/dbraw/zinc/29/00/04/948290004.db2.gz MSMKVHCPTGLJOA-MROQNXINSA-N 1 1 255.362 1.491 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC001327614868 954961022 /nfs/dbraw/zinc/96/10/22/954961022.db2.gz AHBWYBZRVPLHRX-JTQLQIEISA-N 1 1 262.313 1.369 20 5 CDBDMO C[C@@]12CSC[C@@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001308133598 956473950 /nfs/dbraw/zinc/47/39/50/956473950.db2.gz IRKGBCOVFRMXFG-CMPLNLGQSA-N 1 1 282.369 1.476 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001332920905 957943313 /nfs/dbraw/zinc/94/33/13/957943313.db2.gz CQUPQFSHUXRWRM-LLVKDONJSA-N 1 1 287.360 1.498 20 5 CDBDMO CC[N@@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001322892205 960356862 /nfs/dbraw/zinc/35/68/62/960356862.db2.gz DWDAMPUXIUXPRS-UHFFFAOYSA-N 1 1 289.335 1.921 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542616 960388421 /nfs/dbraw/zinc/38/84/21/960388421.db2.gz IODIDOKADGPWAN-KWQFWETISA-N 1 1 277.328 1.467 20 5 CDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001339340229 962312032 /nfs/dbraw/zinc/31/20/32/962312032.db2.gz ORGHTWIWUYDILG-QWRGUYRKSA-N 1 1 296.375 1.166 20 5 CDBDMO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001339815415 962554860 /nfs/dbraw/zinc/55/48/60/962554860.db2.gz MNANUWHJJVYHFQ-ONGXEEELSA-N 1 1 297.334 1.175 20 5 CDBDMO Cc1cc(NC(=O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC001348318341 965929949 /nfs/dbraw/zinc/92/99/49/965929949.db2.gz STJMECWVRWATKQ-UHFFFAOYSA-N 1 1 263.297 1.938 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001515986014 969925180 /nfs/dbraw/zinc/92/51/80/969925180.db2.gz BJMJNDHPIRJHHU-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001515986014 969925186 /nfs/dbraw/zinc/92/51/86/969925186.db2.gz BJMJNDHPIRJHHU-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001515986014 969925193 /nfs/dbraw/zinc/92/51/93/969925193.db2.gz BJMJNDHPIRJHHU-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO CNC(=O)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601106171 342466723 /nfs/dbraw/zinc/46/67/23/342466723.db2.gz UPQAPANJYJCTNM-UHFFFAOYSA-N 1 1 288.307 1.503 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147232 342618481 /nfs/dbraw/zinc/61/84/81/342618481.db2.gz YMGLWJCJJOWABL-JTQLQIEISA-N 1 1 282.319 1.907 20 5 CDBDMO Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593503922 342808864 /nfs/dbraw/zinc/80/88/64/342808864.db2.gz MNOPKZQFIWAYMO-CYBMUJFWSA-N 1 1 277.324 1.158 20 5 CDBDMO CCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004288 342995582 /nfs/dbraw/zinc/99/55/82/342995582.db2.gz ONRZRTMMBINIOA-JTQLQIEISA-N 1 1 295.339 1.780 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595291164 343024787 /nfs/dbraw/zinc/02/47/87/343024787.db2.gz HLLLIXQRUKRMHK-SECBINFHSA-N 1 1 255.274 1.096 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595291164 343024789 /nfs/dbraw/zinc/02/47/89/343024789.db2.gz HLLLIXQRUKRMHK-SECBINFHSA-N 1 1 255.274 1.096 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415752 343054258 /nfs/dbraw/zinc/05/42/58/343054258.db2.gz SHTZSOZDWKDLNU-SWLSCSKDSA-N 1 1 295.383 1.947 20 5 CDBDMO C[N@H+](CCN1CCCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000075768061 342317066 /nfs/dbraw/zinc/31/70/66/342317066.db2.gz RFGIBTSRXQHZLS-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000075768061 342317067 /nfs/dbraw/zinc/31/70/67/342317067.db2.gz RFGIBTSRXQHZLS-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595429629 343058073 /nfs/dbraw/zinc/05/80/73/343058073.db2.gz SDUXCIPKBRUNGB-WDEREUQCSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595429629 343058075 /nfs/dbraw/zinc/05/80/75/343058075.db2.gz SDUXCIPKBRUNGB-WDEREUQCSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595458616 343069317 /nfs/dbraw/zinc/06/93/17/343069317.db2.gz KRCJATBAQJBMBG-INTQDDNPSA-N 1 1 283.328 1.873 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595458616 343069318 /nfs/dbraw/zinc/06/93/18/343069318.db2.gz KRCJATBAQJBMBG-INTQDDNPSA-N 1 1 283.328 1.873 20 5 CDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470687 343072633 /nfs/dbraw/zinc/07/26/33/343072633.db2.gz OZQVCPPJMCEXSZ-CYBMUJFWSA-N 1 1 298.314 1.971 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470687 343072636 /nfs/dbraw/zinc/07/26/36/343072636.db2.gz OZQVCPPJMCEXSZ-CYBMUJFWSA-N 1 1 298.314 1.971 20 5 CDBDMO Cn1c(C(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457205514 365706543 /nfs/dbraw/zinc/70/65/43/365706543.db2.gz RLVVJXVTSJIEPQ-UHFFFAOYSA-N 1 1 294.355 1.538 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000595775010 343148567 /nfs/dbraw/zinc/14/85/67/343148567.db2.gz YTUHBIMWJUHYBV-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595775010 343148568 /nfs/dbraw/zinc/14/85/68/343148568.db2.gz YTUHBIMWJUHYBV-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c1[N+](=O)[O-] ZINC000595690137 343132737 /nfs/dbraw/zinc/13/27/37/343132737.db2.gz VNLVNNPJLMAKJK-GXSJLCMTSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860141 343173688 /nfs/dbraw/zinc/17/36/88/343173688.db2.gz HYJZBJPGYQQBRE-UFBFGSQYSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860141 343173689 /nfs/dbraw/zinc/17/36/89/343173689.db2.gz HYJZBJPGYQQBRE-UFBFGSQYSA-N 1 1 269.301 1.342 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])n1C ZINC000596126681 343237362 /nfs/dbraw/zinc/23/73/62/343237362.db2.gz PFLJIKNTZZEXJP-UHFFFAOYSA-N 1 1 292.299 1.107 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000596157372 343254849 /nfs/dbraw/zinc/25/48/49/343254849.db2.gz YRJZISOZHRMALQ-RKDXNWHRSA-N 1 1 278.312 1.733 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000088718594 342387073 /nfs/dbraw/zinc/38/70/73/342387073.db2.gz VOFOJRFGNFXJOQ-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598648523 343857031 /nfs/dbraw/zinc/85/70/31/343857031.db2.gz TYZIEUVPASTERA-WPRPVWTQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598648523 343857032 /nfs/dbraw/zinc/85/70/32/343857032.db2.gz TYZIEUVPASTERA-WPRPVWTQSA-N 1 1 269.301 1.342 20 5 CDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780777 344596379 /nfs/dbraw/zinc/59/63/79/344596379.db2.gz RTIOFZZNQLDDEM-QWHCGFSZSA-N 1 1 296.371 1.725 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1cnccn1 ZINC000602796405 344587269 /nfs/dbraw/zinc/58/72/69/344587269.db2.gz GEVWTSMDTLLNHJ-UHFFFAOYSA-N 1 1 290.327 1.064 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC2(CCC2)C1 ZINC000602788841 344601237 /nfs/dbraw/zinc/60/12/37/344601237.db2.gz RWNVODGTYDUTMM-UHFFFAOYSA-N 1 1 264.329 1.976 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)C1 ZINC000043305289 344792539 /nfs/dbraw/zinc/79/25/39/344792539.db2.gz QLDNFIBPVSAESG-MFKMUULPSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)C1 ZINC000043305289 344792542 /nfs/dbraw/zinc/79/25/42/344792542.db2.gz QLDNFIBPVSAESG-MFKMUULPSA-N 1 1 293.323 1.379 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCCC1)OCCO2 ZINC000604532182 344900586 /nfs/dbraw/zinc/90/05/86/344900586.db2.gz GIFJXOUQSKDWIL-UHFFFAOYSA-N 1 1 264.281 1.962 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726047 362511353 /nfs/dbraw/zinc/51/13/53/362511353.db2.gz GMQWNAVPPVRSMH-LLVKDONJSA-N 1 1 265.313 1.488 20 5 CDBDMO CC(C)OCC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610431093 346279186 /nfs/dbraw/zinc/27/91/86/346279186.db2.gz SGXXTYWWATXNDI-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCOC1 ZINC000610453357 346286694 /nfs/dbraw/zinc/28/66/94/346286694.db2.gz YLWSKIWFGGCTDJ-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000066140098 347478834 /nfs/dbraw/zinc/47/88/34/347478834.db2.gz LQGUWLUVMYPBBT-QMMMGPOBSA-N 1 1 283.332 1.086 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067614212 349029972 /nfs/dbraw/zinc/02/99/72/349029972.db2.gz QOQQLZFAHIFFHA-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c1 ZINC000090783313 180039546 /nfs/dbraw/zinc/03/95/46/180039546.db2.gz SHHHERSSSTYTJO-UHFFFAOYSA-N 1 1 295.339 1.738 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000105821581 186075028 /nfs/dbraw/zinc/07/50/28/186075028.db2.gz CEAFPOMDMKRMQQ-CHWSQXEVSA-N 1 1 293.367 1.482 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000157814496 188340387 /nfs/dbraw/zinc/34/03/87/188340387.db2.gz RGNLUBSZAYZYBT-SNVBAGLBSA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000157814496 188340389 /nfs/dbraw/zinc/34/03/89/188340389.db2.gz RGNLUBSZAYZYBT-SNVBAGLBSA-N 1 1 268.317 1.291 20 5 CDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931922 363382456 /nfs/dbraw/zinc/38/24/56/363382456.db2.gz IKTOZWABFVBOJE-LBPRGKRZSA-N 1 1 277.324 1.505 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000175452871 356575671 /nfs/dbraw/zinc/57/56/71/356575671.db2.gz SIOYZJKFXZJFTE-UHFFFAOYSA-N 1 1 297.359 1.342 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261930884 357342391 /nfs/dbraw/zinc/34/23/91/357342391.db2.gz LQXWVCVBLVTNFW-BREBYQMCSA-N 1 1 293.323 1.149 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000365819090 357496935 /nfs/dbraw/zinc/49/69/35/357496935.db2.gz IJDHVBVWPSRBFR-CQSZACIVSA-N 1 1 262.309 1.942 20 5 CDBDMO Cn1cc[nH+]c1N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610410915 357739166 /nfs/dbraw/zinc/73/91/66/357739166.db2.gz ULGNEXNUODENBH-UHFFFAOYSA-N 1 1 293.352 1.716 20 5 CDBDMO CO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076346114 357981401 /nfs/dbraw/zinc/98/14/01/357981401.db2.gz XUXPOBPSIXFGAM-GFCCVEGCSA-N 1 1 293.323 1.305 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076346114 357981403 /nfs/dbraw/zinc/98/14/03/357981403.db2.gz XUXPOBPSIXFGAM-GFCCVEGCSA-N 1 1 293.323 1.305 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000189428808 358009934 /nfs/dbraw/zinc/00/99/34/358009934.db2.gz BNJBBHJKWKAAOE-UHFFFAOYSA-N 1 1 297.355 1.984 20 5 CDBDMO C[C@H]([NH3+])C[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567473717 358681213 /nfs/dbraw/zinc/68/12/13/358681213.db2.gz QWSNNDMJPUPDCX-YUMQZZPRSA-N 1 1 291.311 1.327 20 5 CDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451156601 359039188 /nfs/dbraw/zinc/03/91/88/359039188.db2.gz SIMXTWGYAPRKOJ-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451156601 359039191 /nfs/dbraw/zinc/03/91/91/359039191.db2.gz SIMXTWGYAPRKOJ-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000048336679 359202416 /nfs/dbraw/zinc/20/24/16/359202416.db2.gz AHYYKVRUHWVTGR-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000571744079 359608662 /nfs/dbraw/zinc/60/86/62/359608662.db2.gz XXLZQFRJFIBIQE-ZYHUDNBSSA-N 1 1 296.323 1.879 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000045914911 360041581 /nfs/dbraw/zinc/04/15/81/360041581.db2.gz ZEIWXNGFADGKDY-UHFFFAOYSA-N 1 1 266.297 1.980 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451921608 360165054 /nfs/dbraw/zinc/16/50/54/360165054.db2.gz CJOYGLZWFFZBFO-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451921608 360165061 /nfs/dbraw/zinc/16/50/61/360165061.db2.gz CJOYGLZWFFZBFO-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000369544680 360287966 /nfs/dbraw/zinc/28/79/66/360287966.db2.gz YSRQPXGCIBPYJK-CHWSQXEVSA-N 1 1 281.356 1.129 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000369544680 360287967 /nfs/dbraw/zinc/28/79/67/360287967.db2.gz YSRQPXGCIBPYJK-CHWSQXEVSA-N 1 1 281.356 1.129 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000369544680 360287970 /nfs/dbraw/zinc/28/79/70/360287970.db2.gz YSRQPXGCIBPYJK-CHWSQXEVSA-N 1 1 281.356 1.129 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351494101 360612565 /nfs/dbraw/zinc/61/25/65/360612565.db2.gz NHUJMMGZRZHHQS-YNEHKIRRSA-N 1 1 291.351 1.643 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001262 /nfs/dbraw/zinc/00/12/62/361001262.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001265 /nfs/dbraw/zinc/00/12/65/361001265.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001268 /nfs/dbraw/zinc/00/12/68/361001268.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001271 /nfs/dbraw/zinc/00/12/71/361001271.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439670 361001275 /nfs/dbraw/zinc/00/12/75/361001275.db2.gz UDLRZBQAFBKKLN-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO Cc1c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000408461879 361145663 /nfs/dbraw/zinc/14/56/63/361145663.db2.gz BMAXSWZPKOWXAX-RISCZKNCSA-N 1 1 289.335 1.679 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277884110 361231296 /nfs/dbraw/zinc/23/12/96/361231296.db2.gz MVPVICXECVPEOF-UHFFFAOYSA-N 1 1 296.327 1.156 20 5 CDBDMO COc1cc(C[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000184270234 189381549 /nfs/dbraw/zinc/38/15/49/189381549.db2.gz HQBYCAYPTQKYPK-QMMMGPOBSA-N 1 1 272.276 1.555 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000184270234 189381550 /nfs/dbraw/zinc/38/15/50/189381550.db2.gz HQBYCAYPTQKYPK-QMMMGPOBSA-N 1 1 272.276 1.555 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000580339856 363902004 /nfs/dbraw/zinc/90/20/04/363902004.db2.gz JHEJEOXKIWTYCD-WDEREUQCSA-N 1 1 264.329 1.909 20 5 CDBDMO C[C@@H](C1CC1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000304289472 239356911 /nfs/dbraw/zinc/35/69/11/239356911.db2.gz BXAFWWOYLUYBQE-HZMBPMFUSA-N 1 1 294.355 1.415 20 5 CDBDMO CN(CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604538 364001186 /nfs/dbraw/zinc/00/11/86/364001186.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 1 1 293.371 1.348 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795635 364009347 /nfs/dbraw/zinc/00/93/47/364009347.db2.gz OCGROWQYHJWIAX-RNCFNFMXSA-N 1 1 250.298 1.716 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597981 366908547 /nfs/dbraw/zinc/90/85/47/366908547.db2.gz VNFZSEOHKXXIPA-NEPJUHHUSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597981 366908556 /nfs/dbraw/zinc/90/85/56/366908556.db2.gz VNFZSEOHKXXIPA-NEPJUHHUSA-N 1 1 295.339 1.256 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270967036 366947828 /nfs/dbraw/zinc/94/78/28/366947828.db2.gz YXNPJTGHUJAZIS-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000090360444 367033345 /nfs/dbraw/zinc/03/33/45/367033345.db2.gz FTDREVBJOJPKIN-LLVKDONJSA-N 1 1 281.268 1.460 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000090360444 367033349 /nfs/dbraw/zinc/03/33/49/367033349.db2.gz FTDREVBJOJPKIN-LLVKDONJSA-N 1 1 281.268 1.460 20 5 CDBDMO CC[N@H+](CCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348329653 367123048 /nfs/dbraw/zinc/12/30/48/367123048.db2.gz ZPTCTUFQOOZSSN-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO CC[N@@H+](CCCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348329653 367123055 /nfs/dbraw/zinc/12/30/55/367123055.db2.gz ZPTCTUFQOOZSSN-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000272399607 367718843 /nfs/dbraw/zinc/71/88/43/367718843.db2.gz DNJKODBLEZSYIB-GHMZBOCLSA-N 1 1 292.339 1.707 20 5 CDBDMO COC(=O)c1cnc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000276574578 193385764 /nfs/dbraw/zinc/38/57/64/193385764.db2.gz NPPLGYIYGYRHGR-UHFFFAOYSA-N 1 1 294.311 1.283 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000295267805 369817105 /nfs/dbraw/zinc/81/71/05/369817105.db2.gz RVHOLBWXHLNMPS-CQSZACIVSA-N 1 1 295.314 1.677 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](C2CC2)C1 ZINC000295561546 370487403 /nfs/dbraw/zinc/48/74/03/370487403.db2.gz MYYICLGORZHGGK-JTQLQIEISA-N 1 1 293.323 1.744 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)O ZINC000177726644 372928139 /nfs/dbraw/zinc/92/81/39/372928139.db2.gz ABWVPRDLZCHSSA-SNVBAGLBSA-N 1 1 295.339 1.625 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441200 373601599 /nfs/dbraw/zinc/60/15/99/373601599.db2.gz HJNPDAOJYPOYNX-VIFPVBQESA-N 1 1 279.296 1.402 20 5 CDBDMO Cc1nc(N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000370539508 374395675 /nfs/dbraw/zinc/39/56/75/374395675.db2.gz SOCFBWIFYLHOTR-LBPRGKRZSA-N 1 1 276.340 1.973 20 5 CDBDMO CC[C@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460993 374383422 /nfs/dbraw/zinc/38/34/22/374383422.db2.gz JDHVZQPWKXRQNZ-QWRGUYRKSA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@H](N)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460993 374383428 /nfs/dbraw/zinc/38/34/28/374383428.db2.gz JDHVZQPWKXRQNZ-QWRGUYRKSA-N 1 1 294.355 1.639 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000377481494 374603587 /nfs/dbraw/zinc/60/35/87/374603587.db2.gz LJABIUVAEWUZAN-SNVBAGLBSA-N 1 1 295.364 1.967 20 5 CDBDMO CC(C)(C)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000447845291 374716822 /nfs/dbraw/zinc/71/68/22/374716822.db2.gz TXCZTYJZOXNAPJ-NSHDSACASA-N 1 1 282.344 1.538 20 5 CDBDMO CC(C)(C)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000447845291 374716830 /nfs/dbraw/zinc/71/68/30/374716830.db2.gz TXCZTYJZOXNAPJ-NSHDSACASA-N 1 1 282.344 1.538 20 5 CDBDMO COc1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449520288 374816616 /nfs/dbraw/zinc/81/66/16/374816616.db2.gz RTNICRUDLAKMFI-GXTWGEPZSA-N 1 1 291.351 1.739 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331277062 374921979 /nfs/dbraw/zinc/92/19/79/374921979.db2.gz JHAOIYDLIAZVNU-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331277062 374921986 /nfs/dbraw/zinc/92/19/86/374921986.db2.gz JHAOIYDLIAZVNU-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc(C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1F ZINC000332430544 375030408 /nfs/dbraw/zinc/03/04/08/375030408.db2.gz IVAXWWSHKYZDOD-UHFFFAOYSA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1F ZINC000332430544 375030418 /nfs/dbraw/zinc/03/04/18/375030418.db2.gz IVAXWWSHKYZDOD-UHFFFAOYSA-N 1 1 284.287 1.698 20 5 CDBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282487443 375088053 /nfs/dbraw/zinc/08/80/53/375088053.db2.gz VUDZKCOKCWUIDY-NSHDSACASA-N 1 1 297.742 1.959 20 5 CDBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282487443 375088059 /nfs/dbraw/zinc/08/80/59/375088059.db2.gz VUDZKCOKCWUIDY-NSHDSACASA-N 1 1 297.742 1.959 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471800053 375056319 /nfs/dbraw/zinc/05/63/19/375056319.db2.gz SUIMUROKEQAKFW-JQWIXIFHSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268643 375068898 /nfs/dbraw/zinc/06/88/98/375068898.db2.gz UMEDVIIDEVOMFM-OAHLLOKOSA-N 1 1 289.335 1.763 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000162501164 375369015 /nfs/dbraw/zinc/36/90/15/375369015.db2.gz CRBRUHSQBZDEIG-SNPRPXQTSA-N 1 1 294.351 1.721 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](CO)C1 ZINC000304273745 375423635 /nfs/dbraw/zinc/42/36/35/375423635.db2.gz ITDJRANJGDLHDX-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000304273745 375423640 /nfs/dbraw/zinc/42/36/40/375423640.db2.gz ITDJRANJGDLHDX-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353223041 375589732 /nfs/dbraw/zinc/58/97/32/375589732.db2.gz VTFCMDKOGDNKSV-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1CO ZINC000248993384 375668886 /nfs/dbraw/zinc/66/88/86/375668886.db2.gz XMLGACWPRAEQIG-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1CO ZINC000248993384 375668890 /nfs/dbraw/zinc/66/88/90/375668890.db2.gz XMLGACWPRAEQIG-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000058924323 375840946 /nfs/dbraw/zinc/84/09/46/375840946.db2.gz LJSLGOKHKKYDIK-SECBINFHSA-N 1 1 283.353 1.728 20 5 CDBDMO CC[C@@]1(O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444674846 250163425 /nfs/dbraw/zinc/16/34/25/250163425.db2.gz LSMZCOSRPWXXAI-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444674846 250163429 /nfs/dbraw/zinc/16/34/29/250163429.db2.gz LSMZCOSRPWXXAI-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO CC[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266423275 190256310 /nfs/dbraw/zinc/25/63/10/190256310.db2.gz JGVONIMNNCPCAG-GFCCVEGCSA-N 1 1 270.333 1.130 20 5 CDBDMO CC(C)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266888798 190287601 /nfs/dbraw/zinc/28/76/01/190287601.db2.gz DAXIQMQEYVNRPX-LBPRGKRZSA-N 1 1 252.318 1.912 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266946481 190292228 /nfs/dbraw/zinc/29/22/28/190292228.db2.gz YHHHIRNQQORUPW-UHFFFAOYSA-N 1 1 268.317 1.385 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268181165 190384114 /nfs/dbraw/zinc/38/41/14/190384114.db2.gz NQCNSUJZZBRNFK-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491577324 253091939 /nfs/dbraw/zinc/09/19/39/253091939.db2.gz VMGQIDZVJHAZNT-ABZNLYFFSA-N 1 1 289.335 1.771 20 5 CDBDMO CCOc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000492417017 253214607 /nfs/dbraw/zinc/21/46/07/253214607.db2.gz MAHYEXYSJSGTLK-UHFFFAOYSA-N 1 1 279.296 1.101 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000160388818 285124857 /nfs/dbraw/zinc/12/48/57/285124857.db2.gz HRRCIQRPAKOOSE-ZDUSSCGKSA-N 1 1 292.339 1.291 20 5 CDBDMO C[NH+](C)CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000281733236 195357052 /nfs/dbraw/zinc/35/70/52/195357052.db2.gz ODOTWRZPKXEUNM-UHFFFAOYSA-N 1 1 293.323 1.515 20 5 CDBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000433166820 390497262 /nfs/dbraw/zinc/49/72/62/390497262.db2.gz LNJMULRIVXUHNP-CYBMUJFWSA-N 1 1 282.340 1.813 20 5 CDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000433166820 390497265 /nfs/dbraw/zinc/49/72/65/390497265.db2.gz LNJMULRIVXUHNP-CYBMUJFWSA-N 1 1 282.340 1.813 20 5 CDBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048611070 390450102 /nfs/dbraw/zinc/45/01/02/390450102.db2.gz KCPDULNRJCSTGH-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048611070 390450106 /nfs/dbraw/zinc/45/01/06/390450106.db2.gz KCPDULNRJCSTGH-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290031455 390942743 /nfs/dbraw/zinc/94/27/43/390942743.db2.gz QGKGJUCIRAKKDY-AWEZNQCLSA-N 1 1 293.367 1.482 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412074923 391112022 /nfs/dbraw/zinc/11/20/22/391112022.db2.gz RLLNZSZAKURIOW-CYBMUJFWSA-N 1 1 296.327 1.066 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000413273068 391189750 /nfs/dbraw/zinc/18/97/50/391189750.db2.gz UXLXCWJHACOCOX-DTORHVGOSA-N 1 1 266.276 1.127 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000366567707 391190293 /nfs/dbraw/zinc/19/02/93/391190293.db2.gz DLPAGJCAGSXYOB-NWDGAFQWSA-N 1 1 297.742 1.767 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000413335275 391202411 /nfs/dbraw/zinc/20/24/11/391202411.db2.gz SXWIDDTVIYPAIH-SNVBAGLBSA-N 1 1 298.318 1.388 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803931 392727432 /nfs/dbraw/zinc/72/74/32/392727432.db2.gz ZGSRCYVWIQSKKE-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980656 392924191 /nfs/dbraw/zinc/92/41/91/392924191.db2.gz FEOSDBVVOZJTDF-PWSUYJOCSA-N 1 1 277.324 1.866 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980656 392924194 /nfs/dbraw/zinc/92/41/94/392924194.db2.gz FEOSDBVVOZJTDF-PWSUYJOCSA-N 1 1 277.324 1.866 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000421699684 392942749 /nfs/dbraw/zinc/94/27/49/392942749.db2.gz BURPHUWPUGAKPM-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO CCn1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000530623400 393053625 /nfs/dbraw/zinc/05/36/25/393053625.db2.gz QPXOONWVKWZPRT-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO CCn1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000530623400 393053629 /nfs/dbraw/zinc/05/36/29/393053629.db2.gz QPXOONWVKWZPRT-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532145705 393069603 /nfs/dbraw/zinc/06/96/03/393069603.db2.gz VBBVQZURTIBZGH-JTQLQIEISA-N 1 1 278.312 1.156 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000278677990 393143780 /nfs/dbraw/zinc/14/37/80/393143780.db2.gz GQYGNMZHQKRMMY-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO Cc1cccc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302514444 393199976 /nfs/dbraw/zinc/19/99/76/393199976.db2.gz UUGGOPOBIXYZHW-STQMWFEESA-N 1 1 293.367 1.795 20 5 CDBDMO Cc1c(CNC(=O)[C@@H]2CSC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856566 140219889 /nfs/dbraw/zinc/21/98/89/140219889.db2.gz OTNMPBRYQLAMPO-JTQLQIEISA-N 1 1 281.337 1.182 20 5 CDBDMO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408068339 297086179 /nfs/dbraw/zinc/08/61/79/297086179.db2.gz TWSBIOMFILGDTR-ZJUUUORDSA-N 1 1 250.302 1.519 20 5 CDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240469 148031024 /nfs/dbraw/zinc/03/10/24/148031024.db2.gz XQDSIUAUDVHZIQ-NEPJUHHUSA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCCC[C@H]1C ZINC000343069697 152019567 /nfs/dbraw/zinc/01/95/67/152019567.db2.gz ZYDQRUKXCRJRLX-GHMZBOCLSA-N 1 1 294.355 1.916 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@H+]1C ZINC000343509301 152205853 /nfs/dbraw/zinc/20/58/53/152205853.db2.gz HZCMSRRISOFDDD-KOLCDFICSA-N 1 1 250.302 1.884 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000344008270 152386706 /nfs/dbraw/zinc/38/67/06/152386706.db2.gz AMERUHZZVRDUER-GLQYFDAESA-N 1 1 292.335 1.676 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000345980502 153015948 /nfs/dbraw/zinc/01/59/48/153015948.db2.gz LCEJUWGKYOCUMJ-VHSXEESVSA-N 1 1 280.328 1.478 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000346071754 153042572 /nfs/dbraw/zinc/04/25/72/153042572.db2.gz NRYCFCOBZGXCLQ-RNCFNFMXSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000346071754 153042577 /nfs/dbraw/zinc/04/25/77/153042577.db2.gz NRYCFCOBZGXCLQ-RNCFNFMXSA-N 1 1 293.323 1.513 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354084308 156260353 /nfs/dbraw/zinc/26/03/53/156260353.db2.gz XNYOVMIJWSDOPC-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362480105 159157855 /nfs/dbraw/zinc/15/78/55/159157855.db2.gz QNPMPGLKWZVXHW-LLVKDONJSA-N 1 1 294.355 1.347 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007618 159288921 /nfs/dbraw/zinc/28/89/21/159288921.db2.gz LLCDZANLYLKSAE-UWVGGRQHSA-N 1 1 279.296 1.544 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+]3CCC[C@H]3C2)nc1 ZINC000363911017 159353109 /nfs/dbraw/zinc/35/31/09/159353109.db2.gz SWCXERMPBDJJFK-JTQLQIEISA-N 1 1 263.301 1.059 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cncn1 ZINC000285157637 196209030 /nfs/dbraw/zinc/20/90/30/196209030.db2.gz AIDBEALOYBNWKV-UHFFFAOYSA-N 1 1 275.312 1.361 20 5 CDBDMO CCOc1cc(C[N@H+](C)[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000285550001 196322881 /nfs/dbraw/zinc/32/28/81/196322881.db2.gz MGSMRLOCQDPLDC-CHWSQXEVSA-N 1 1 296.323 1.185 20 5 CDBDMO CCOc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000285550001 196322883 /nfs/dbraw/zinc/32/28/83/196322883.db2.gz MGSMRLOCQDPLDC-CHWSQXEVSA-N 1 1 296.323 1.185 20 5 CDBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285552475 196324626 /nfs/dbraw/zinc/32/46/26/196324626.db2.gz GPEWCMJRRGGKEH-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285552475 196324628 /nfs/dbraw/zinc/32/46/28/196324628.db2.gz GPEWCMJRRGGKEH-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CC1 ZINC000285610956 196343276 /nfs/dbraw/zinc/34/32/76/196343276.db2.gz VXAKMITVWJJRSZ-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563104 175206974 /nfs/dbraw/zinc/20/69/74/175206974.db2.gz SQGGSQKOWOTGES-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000044564367 175207523 /nfs/dbraw/zinc/20/75/23/175207523.db2.gz NEVNURSJEUFTBI-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000514580993 266004327 /nfs/dbraw/zinc/00/43/27/266004327.db2.gz GUNCDEFJLKWOJY-UWVGGRQHSA-N 1 1 279.344 1.612 20 5 CDBDMO CC(C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707744 270298026 /nfs/dbraw/zinc/29/80/26/270298026.db2.gz XISHOJYKQZFPJI-ZDUSSCGKSA-N 1 1 282.340 1.813 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374994 274337433 /nfs/dbraw/zinc/33/74/33/274337433.db2.gz ZXHCSXXRUOMPIV-SKDRFNHKSA-N 1 1 263.297 1.731 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)[N@@H+]1C ZINC000292932196 274364344 /nfs/dbraw/zinc/36/43/44/274364344.db2.gz ZLLGBGQPCIGUAS-DTORHVGOSA-N 1 1 282.319 1.845 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO1 ZINC000090522582 276134973 /nfs/dbraw/zinc/13/49/73/276134973.db2.gz IOPRIKBJDCOISP-ZDUSSCGKSA-N 1 1 295.339 1.257 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000091557149 279286848 /nfs/dbraw/zinc/28/68/48/279286848.db2.gz FNIGVJUSPZTHHG-NSHDSACASA-N 1 1 281.360 1.873 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000519791130 281036475 /nfs/dbraw/zinc/03/64/75/281036475.db2.gz JIYBBTIJAWABRQ-GFCCVEGCSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000519791130 281036478 /nfs/dbraw/zinc/03/64/78/281036478.db2.gz JIYBBTIJAWABRQ-GFCCVEGCSA-N 1 1 295.314 1.900 20 5 CDBDMO Cc1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000574530689 295015013 /nfs/dbraw/zinc/01/50/13/295015013.db2.gz DFFDJXZKYIJTOA-LBPRGKRZSA-N 1 1 287.323 1.841 20 5 CDBDMO Cc1nnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000574530689 295015015 /nfs/dbraw/zinc/01/50/15/295015015.db2.gz DFFDJXZKYIJTOA-LBPRGKRZSA-N 1 1 287.323 1.841 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000563364907 316271420 /nfs/dbraw/zinc/27/14/20/316271420.db2.gz RKTAFSBUNXTKEE-HNNXBMFYSA-N 1 1 289.335 1.758 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000563364907 316271422 /nfs/dbraw/zinc/27/14/22/316271422.db2.gz RKTAFSBUNXTKEE-HNNXBMFYSA-N 1 1 289.335 1.758 20 5 CDBDMO CN1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967095 1161996426 /nfs/dbraw/zinc/99/64/26/1161996426.db2.gz NGWYKRXTBSVAPA-AGIUHOORSA-N 1 1 255.362 1.506 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161475590 520236798 /nfs/dbraw/zinc/23/67/98/520236798.db2.gz VPNGNMWWRURGCJ-UHFFFAOYSA-N 1 1 280.328 1.318 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000751939735 577076123 /nfs/dbraw/zinc/07/61/23/577076123.db2.gz KFPNJKXCJSJTDS-LLVKDONJSA-N 1 1 291.311 1.326 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000751939735 577076125 /nfs/dbraw/zinc/07/61/25/577076125.db2.gz KFPNJKXCJSJTDS-LLVKDONJSA-N 1 1 291.311 1.326 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]2CO)cc1 ZINC000934015956 617853356 /nfs/dbraw/zinc/85/33/56/617853356.db2.gz QIQMVZVGJZRNJM-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000894654576 619006054 /nfs/dbraw/zinc/00/60/54/619006054.db2.gz DNBYTIXSBKZRPQ-LBPRGKRZSA-N 1 1 293.371 1.862 20 5 CDBDMO CC[NH+](CC)[C@@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899870280 622496030 /nfs/dbraw/zinc/49/60/30/622496030.db2.gz LKBXLTQQXRIMFK-LBPRGKRZSA-N 1 1 271.386 1.997 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc([N+](=O)[O-])c(F)c1 ZINC000904436482 626293676 /nfs/dbraw/zinc/29/36/76/626293676.db2.gz BPBJJYUVRYSINL-UHFFFAOYSA-N 1 1 270.264 1.294 20 5 CDBDMO C[NH+](C)CC(N)=NOCCc1ccc([N+](=O)[O-])cc1 ZINC000904437394 626293681 /nfs/dbraw/zinc/29/36/81/626293681.db2.gz KFWKGFWKKWZYFS-UHFFFAOYSA-N 1 1 266.301 1.197 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000247115036 1181025885 /nfs/dbraw/zinc/02/58/85/1181025885.db2.gz ZOOXHNJXRCEAPQ-QWRGUYRKSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000247115036 1181025894 /nfs/dbraw/zinc/02/58/94/1181025894.db2.gz ZOOXHNJXRCEAPQ-QWRGUYRKSA-N 1 1 266.301 1.250 20 5 CDBDMO CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753082021 1185049206 /nfs/dbraw/zinc/04/92/06/1185049206.db2.gz YWJIUEMLVLLYHH-CHWSQXEVSA-N 1 1 299.415 1.916 20 5 CDBDMO CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753082021 1185049211 /nfs/dbraw/zinc/04/92/11/1185049211.db2.gz YWJIUEMLVLLYHH-CHWSQXEVSA-N 1 1 299.415 1.916 20 5 CDBDMO CC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753082021 1185049216 /nfs/dbraw/zinc/04/92/16/1185049216.db2.gz YWJIUEMLVLLYHH-CHWSQXEVSA-N 1 1 299.415 1.916 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000357630734 719399558 /nfs/dbraw/zinc/39/95/58/719399558.db2.gz QJKCWZZGUDTJOV-VXGBXAGGSA-N 1 1 292.339 1.126 20 5 CDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923371520 726010755 /nfs/dbraw/zinc/01/07/55/726010755.db2.gz XWDQJHRXIPGGBQ-ZIAGYGMSSA-N 1 1 293.367 1.606 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000884826096 726017956 /nfs/dbraw/zinc/01/79/56/726017956.db2.gz HBYGRGVBOKJTAO-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000246928924 726052138 /nfs/dbraw/zinc/05/21/38/726052138.db2.gz HBHNNMFBTHPEDP-NWDGAFQWSA-N 1 1 279.344 1.165 20 5 CDBDMO CC(C)(Cn1cc(C[NH+]2CCCCC2)nn1)[N+](=O)[O-] ZINC000864642841 726066186 /nfs/dbraw/zinc/06/61/86/726066186.db2.gz XNFAKKAZYPKRHB-UHFFFAOYSA-N 1 1 267.333 1.319 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC000858298494 726286004 /nfs/dbraw/zinc/28/60/04/726286004.db2.gz SNUQQDRHRVQWBI-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1CNCC[N@@H+]1CC[C@@H](O)C1 ZINC000858298494 726286006 /nfs/dbraw/zinc/28/60/06/726286006.db2.gz SNUQQDRHRVQWBI-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878314986 726288563 /nfs/dbraw/zinc/28/85/63/726288563.db2.gz CBNPSUILWPVQMD-VIFPVBQESA-N 1 1 292.261 1.984 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000776771386 726839341 /nfs/dbraw/zinc/83/93/41/726839341.db2.gz GXMKYMRVCJGFJQ-LBPRGKRZSA-N 1 1 280.328 1.640 20 5 CDBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000830306415 726871260 /nfs/dbraw/zinc/87/12/60/726871260.db2.gz CXMMBCUNSIJBQN-UHFFFAOYSA-N 1 1 285.731 1.944 20 5 CDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000830306415 726871261 /nfs/dbraw/zinc/87/12/61/726871261.db2.gz CXMMBCUNSIJBQN-UHFFFAOYSA-N 1 1 285.731 1.944 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721473 726876941 /nfs/dbraw/zinc/87/69/41/726876941.db2.gz MPDJMXOUNJBVRQ-HBJVGIJOSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721473 726876942 /nfs/dbraw/zinc/87/69/42/726876942.db2.gz MPDJMXOUNJBVRQ-HBJVGIJOSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721473 726876943 /nfs/dbraw/zinc/87/69/43/726876943.db2.gz MPDJMXOUNJBVRQ-HBJVGIJOSA-N 1 1 295.383 1.421 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530834 726942240 /nfs/dbraw/zinc/94/22/40/726942240.db2.gz KFWCKWPZIMIBNP-BETUJISGSA-N 1 1 276.340 1.998 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000839728622 727357318 /nfs/dbraw/zinc/35/73/18/727357318.db2.gz QKTGCFCKDUVEQL-ZRJCITRHSA-N 1 1 291.351 1.459 20 5 CDBDMO CCC[N@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839978198 727383466 /nfs/dbraw/zinc/38/34/66/727383466.db2.gz HGZDGIYKHHRKCM-AWEZNQCLSA-N 1 1 293.323 1.831 20 5 CDBDMO CCC[N@@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839978198 727383470 /nfs/dbraw/zinc/38/34/70/727383470.db2.gz HGZDGIYKHHRKCM-AWEZNQCLSA-N 1 1 293.323 1.831 20 5 CDBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000158639138 727819110 /nfs/dbraw/zinc/81/91/10/727819110.db2.gz AKUHHYZSNSDUCI-CABZTGNLSA-N 1 1 291.311 1.108 20 5 CDBDMO COC[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832395375 727823674 /nfs/dbraw/zinc/82/36/74/727823674.db2.gz PLOUIMJFTXSTPO-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832395375 727823676 /nfs/dbraw/zinc/82/36/76/727823676.db2.gz PLOUIMJFTXSTPO-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000719064339 728068947 /nfs/dbraw/zinc/06/89/47/728068947.db2.gz DJZDKXLWXVMHFF-GFCCVEGCSA-N 1 1 278.308 1.790 20 5 CDBDMO CC[NH+](CC)C[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637799 728336719 /nfs/dbraw/zinc/33/67/19/728336719.db2.gz FBDQIUUTUGPCBF-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCOCC2)cc1 ZINC000776579132 728339467 /nfs/dbraw/zinc/33/94/67/728339467.db2.gz JZMFPLWHXSTKNL-ZDUSSCGKSA-N 1 1 266.297 1.351 20 5 CDBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054082 728365226 /nfs/dbraw/zinc/36/52/26/728365226.db2.gz XAXUOQYCKRBFSF-NEPJUHHUSA-N 1 1 271.361 1.280 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001173222165 912304334 /nfs/dbraw/zinc/30/43/34/912304334.db2.gz PRQYVKLUTJCPEM-OSAQELSMSA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1CO ZINC001173221758 912304556 /nfs/dbraw/zinc/30/45/56/912304556.db2.gz LUHRQYXRGLOQCI-RISCZKNCSA-N 1 1 264.325 1.983 20 5 CDBDMO O=[N+]([O-])c1ccnc(N2CCc3[nH+]ccn3CC2)c1 ZINC001167178370 894811700 /nfs/dbraw/zinc/81/17/00/894811700.db2.gz WKHJVAYWHXJHMW-UHFFFAOYSA-N 1 1 259.269 1.249 20 5 CDBDMO C[C@H](C[NH+]1CCOCC1)OCc1ccc([N+](=O)[O-])nc1 ZINC001224109292 909165982 /nfs/dbraw/zinc/16/59/82/909165982.db2.gz QQGPFKMHBXQGHY-LLVKDONJSA-N 1 1 281.312 1.227 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](O)C1)CC2 ZINC001172910389 912103431 /nfs/dbraw/zinc/10/34/31/912103431.db2.gz YQMXSOOGRIQQSA-UKRRQHHQSA-N 1 1 276.336 1.909 20 5 CDBDMO [NH3+]Cc1nc(=O)[nH]n1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001168760748 923177915 /nfs/dbraw/zinc/17/79/15/923177915.db2.gz FQZAULCMQFAWCM-UHFFFAOYSA-N 1 1 285.263 1.493 20 5 CDBDMO NCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956637 927577090 /nfs/dbraw/zinc/57/70/90/927577090.db2.gz CBZLWWZQJURPFT-HUUCEWRRSA-N 1 1 277.368 1.893 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)C1 ZINC001169027859 927632907 /nfs/dbraw/zinc/63/29/07/927632907.db2.gz RGALLTCLYFNSDZ-KBPBESRZSA-N 1 1 267.373 1.459 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036516 927644944 /nfs/dbraw/zinc/64/49/44/927644944.db2.gz GHPIIHXTQFQFOX-UTUOFQBUSA-N 1 1 256.346 1.667 20 5 CDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169017528 927656072 /nfs/dbraw/zinc/65/60/72/927656072.db2.gz AIKQHDHJJDXFOD-RNJOBUHISA-N 1 1 255.362 1.456 20 5 CDBDMO O=C1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC2(CCCC2)N1 ZINC001169056306 927673354 /nfs/dbraw/zinc/67/33/54/927673354.db2.gz RLTVNZIJJOBYGV-VXGBXAGGSA-N 1 1 281.356 1.176 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000882486345 930013715 /nfs/dbraw/zinc/01/37/15/930013715.db2.gz QLDAOHKUHZFHBM-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001115921334 937424666 /nfs/dbraw/zinc/42/46/66/937424666.db2.gz YZDKGUZVWWKFLG-NSHDSACASA-N 1 1 292.339 1.244 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000886033073 930792541 /nfs/dbraw/zinc/79/25/41/930792541.db2.gz RCPCTYFSMFKOTD-JTQLQIEISA-N 1 1 251.286 1.458 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000929805582 933271497 /nfs/dbraw/zinc/27/14/97/933271497.db2.gz FXADRVADXVFKKN-OAHLLOKOSA-N 1 1 278.352 1.987 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000930530133 933396255 /nfs/dbraw/zinc/39/62/55/933396255.db2.gz NFPYADYSPJSIQE-HNNXBMFYSA-N 1 1 278.352 1.580 20 5 CDBDMO Cc1cnc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001157260249 938469976 /nfs/dbraw/zinc/46/99/76/938469976.db2.gz IQCPCKYANYOSFI-AAEUAGOBSA-N 1 1 276.340 1.829 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157261596 938470926 /nfs/dbraw/zinc/47/09/26/938470926.db2.gz SCABSFFFQNKKRW-QWRGUYRKSA-N 1 1 262.313 1.520 20 5 CDBDMO COc1nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263005 938471334 /nfs/dbraw/zinc/47/13/34/938471334.db2.gz ZVDLXEWSAIYETP-ZYHUDNBSSA-N 1 1 292.339 1.529 20 5 CDBDMO O=C(NCCC[NH2+]CCCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767263 938542712 /nfs/dbraw/zinc/54/27/12/938542712.db2.gz KBZUSXULZKWVIZ-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO CNC(=O)[C@H](C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158988647 938685487 /nfs/dbraw/zinc/68/54/87/938685487.db2.gz VIHKQZOPCTVQLT-CYNONHLPSA-N 1 1 293.327 1.069 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001162336479 939027120 /nfs/dbraw/zinc/02/71/20/939027120.db2.gz BQCLSTYHPOHPAE-LBPRGKRZSA-N 1 1 265.317 1.468 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165199812 939522906 /nfs/dbraw/zinc/52/29/06/939522906.db2.gz NNGMFNMHGZPROD-SNVBAGLBSA-N 1 1 279.344 1.491 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229397499 942464882 /nfs/dbraw/zinc/46/48/82/942464882.db2.gz JHVMCTGCYYTUFL-JTQLQIEISA-N 1 1 252.270 1.773 20 5 CDBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001229901988 942550909 /nfs/dbraw/zinc/55/09/09/942550909.db2.gz DCINBTFTVKCXAU-SNVBAGLBSA-N 1 1 294.307 1.773 20 5 CDBDMO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@@H](O)CO ZINC001232220467 943173446 /nfs/dbraw/zinc/17/34/46/943173446.db2.gz PIJGGXJMXOXFPE-OAHLLOKOSA-N 1 1 297.358 1.568 20 5 CDBDMO N[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568755 948290080 /nfs/dbraw/zinc/29/00/80/948290080.db2.gz AYWFSTOODOXAEO-QLFBSQMISA-N 1 1 293.342 1.823 20 5 CDBDMO [NH3+][C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568755 948290085 /nfs/dbraw/zinc/29/00/85/948290085.db2.gz AYWFSTOODOXAEO-QLFBSQMISA-N 1 1 293.342 1.823 20 5 CDBDMO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743536 954053706 /nfs/dbraw/zinc/05/37/06/954053706.db2.gz NQBDDDFMXHBMOP-VHSXEESVSA-N 1 1 266.345 1.683 20 5 CDBDMO Cc1nc(N2CCC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001326491495 954406788 /nfs/dbraw/zinc/40/67/88/954406788.db2.gz GPPXVLCXDCIZJC-NSHDSACASA-N 1 1 277.328 1.368 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC001307775514 956437213 /nfs/dbraw/zinc/43/72/13/956437213.db2.gz KQWCGYWLFVYIFJ-GWCFXTLKSA-N 1 1 250.298 1.858 20 5 CDBDMO Cc1cccc(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001318909323 958297947 /nfs/dbraw/zinc/29/79/47/958297947.db2.gz GLAKABXFJYXPGJ-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCc1cc(N(C)C)cc[nH+]1 ZINC001334304828 959011958 /nfs/dbraw/zinc/01/19/58/959011958.db2.gz MWFRVODDJQIGDK-UHFFFAOYSA-N 1 1 287.323 1.793 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[N+](=O)[O-] ZINC001334683885 959284277 /nfs/dbraw/zinc/28/42/77/959284277.db2.gz DKISRIFFCBDXSZ-ZFWWWQNUSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683885 959284286 /nfs/dbraw/zinc/28/42/86/959284286.db2.gz DKISRIFFCBDXSZ-ZFWWWQNUSA-N 1 1 277.368 1.763 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337755446 961406654 /nfs/dbraw/zinc/40/66/54/961406654.db2.gz LLTZGPUAOJOKSO-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO Cn1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1=O ZINC001340222254 962827844 /nfs/dbraw/zinc/82/78/44/962827844.db2.gz NCVLGSLRBGHCSV-UHFFFAOYSA-N 1 1 299.330 1.852 20 5 CDBDMO Cn1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1=O ZINC001340222254 962827859 /nfs/dbraw/zinc/82/78/59/962827859.db2.gz NCVLGSLRBGHCSV-UHFFFAOYSA-N 1 1 299.330 1.852 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001346068446 964906315 /nfs/dbraw/zinc/90/63/15/964906315.db2.gz CPADDXASGDEEMH-GHMZBOCLSA-N 1 1 264.329 1.615 20 5 CDBDMO CCN(CCO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601098982 342463848 /nfs/dbraw/zinc/46/38/48/342463848.db2.gz MUTVOYAFUOCLDY-UHFFFAOYSA-N 1 1 261.281 1.962 20 5 CDBDMO C[C@H](CCO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601125372 342471586 /nfs/dbraw/zinc/47/15/86/342471586.db2.gz PRQBVPYRGGZCPA-SNVBAGLBSA-N 1 1 275.308 1.995 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000611517635 346808829 /nfs/dbraw/zinc/80/88/29/346808829.db2.gz ZUABYRBKLLZZLZ-CYBMUJFWSA-N 1 1 278.308 1.596 20 5 CDBDMO C[N@@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593421460 342800355 /nfs/dbraw/zinc/80/03/55/342800355.db2.gz QBGVFOLXHUNMIA-UHFFFAOYSA-N 1 1 295.314 1.487 20 5 CDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000079768101 342232842 /nfs/dbraw/zinc/23/28/42/342232842.db2.gz FIEHEJIPTJQLBB-CYBMUJFWSA-N 1 1 250.298 1.798 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383268 342264474 /nfs/dbraw/zinc/26/44/74/342264474.db2.gz KVWUEROXIPQGGR-NSHDSACASA-N 1 1 292.339 1.147 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)CC1CC1 ZINC000595295492 343026687 /nfs/dbraw/zinc/02/66/87/343026687.db2.gz ZGAMZFKIFGVUBU-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO 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C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963130 358252675 /nfs/dbraw/zinc/25/26/75/358252675.db2.gz SPCYIHVMRCPJKD-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963130 358252679 /nfs/dbraw/zinc/25/26/79/358252679.db2.gz SPCYIHVMRCPJKD-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193575762 358304461 /nfs/dbraw/zinc/30/44/61/358304461.db2.gz XRNXNEKTDPDRGP-TVQRCGJNSA-N 1 1 293.323 1.218 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193634412 358311105 /nfs/dbraw/zinc/31/11/05/358311105.db2.gz BSEDCCYIKYKFHG-QPUJVOFHSA-N 1 1 297.742 1.862 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000294844156 199210121 /nfs/dbraw/zinc/21/01/21/199210121.db2.gz AIUSKFWBUFPVNP-LLVKDONJSA-N 1 1 297.330 1.993 20 5 CDBDMO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361652605 358403295 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CC[C@@H]1C[N@@H+](CC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451729140 359073547 /nfs/dbraw/zinc/07/35/47/359073547.db2.gz JJGQRPCULIYISN-GFCCVEGCSA-N 1 1 281.360 1.207 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112925619 359365288 /nfs/dbraw/zinc/36/52/88/359365288.db2.gz LZSGSFOSFIBULY-UHFFFAOYSA-N 1 1 290.323 1.758 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+](CCO)CCO ZINC000050445140 359486828 /nfs/dbraw/zinc/48/68/28/359486828.db2.gz PSINRLHJAHWZRD-UHFFFAOYSA-N 1 1 274.704 1.035 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408364157 359694365 /nfs/dbraw/zinc/69/43/65/359694365.db2.gz HTFFTRCNDBBWPO-MNOVXSKESA-N 1 1 279.344 1.249 20 5 CDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408470128 359820123 /nfs/dbraw/zinc/82/01/23/359820123.db2.gz UEHIESCDVKJWPX-RNCFNFMXSA-N 1 1 291.307 1.077 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408470128 359820126 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COC(C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1)OC ZINC000180637697 189267666 /nfs/dbraw/zinc/26/76/66/189267666.db2.gz XGXQVJHXGACCBJ-UHFFFAOYSA-N 1 1 298.339 1.398 20 5 CDBDMO CCCC[N@@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000182129442 189314638 /nfs/dbraw/zinc/31/46/38/189314638.db2.gz UZTLEPBFHNIUQO-UHFFFAOYSA-N 1 1 270.333 1.276 20 5 CDBDMO CC(C)c1[nH+]ccn1CCn1cc([N+](=O)[O-])ccc1=O ZINC000182854436 189337452 /nfs/dbraw/zinc/33/74/52/189337452.db2.gz HAQQFHSDOFWYMZ-UHFFFAOYSA-N 1 1 276.296 1.777 20 5 CDBDMO O=[N+]([O-])c1cccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000581920864 364053240 /nfs/dbraw/zinc/05/32/40/364053240.db2.gz OAAFAWRUHBCXDK-UHFFFAOYSA-N 1 1 287.323 1.640 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2COC[C@@H]21 ZINC000452110987 364811742 /nfs/dbraw/zinc/81/17/42/364811742.db2.gz SGDOGFAFNOLYAR-WDEREUQCSA-N 1 1 280.328 1.148 20 5 CDBDMO C[NH2+]C[C@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000414839744 367160555 /nfs/dbraw/zinc/16/05/55/367160555.db2.gz MPEJMVFAVFNQHZ-JTQLQIEISA-N 1 1 251.330 1.848 20 5 CDBDMO C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795051 368132812 /nfs/dbraw/zinc/13/28/12/368132812.db2.gz OGKMFMVZYHMRHL-GXSJLCMTSA-N 1 1 292.339 1.588 20 5 CDBDMO CC[N@@H+](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C(C)C ZINC000420584819 244265940 /nfs/dbraw/zinc/26/59/40/244265940.db2.gz MXTVAIOFSMXSQI-UHFFFAOYSA-N 1 1 294.355 1.836 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330916284 203386297 /nfs/dbraw/zinc/38/62/97/203386297.db2.gz ZQBRSRZRHMKGKG-LLVKDONJSA-N 1 1 294.355 1.869 20 5 CDBDMO Cc1nc(NCC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000295512377 370444136 /nfs/dbraw/zinc/44/41/36/370444136.db2.gz LPTMIZTYGRLTFH-UHFFFAOYSA-N 1 1 251.290 1.199 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642609 370538448 /nfs/dbraw/zinc/53/84/48/370538448.db2.gz GRFUTPPEJIWUEM-LLVKDONJSA-N 1 1 298.339 1.685 20 5 CDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000295344675 371228523 /nfs/dbraw/zinc/22/85/23/371228523.db2.gz IGLRCEQBPNJCGJ-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000295344675 371228527 /nfs/dbraw/zinc/22/85/27/371228527.db2.gz IGLRCEQBPNJCGJ-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000299043797 374323824 /nfs/dbraw/zinc/32/38/24/374323824.db2.gz SAAZLUXQBFDMPU-MNOVXSKESA-N 1 1 294.355 1.773 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000274547965 374676805 /nfs/dbraw/zinc/67/68/05/374676805.db2.gz GYNDPDBXRHHBBH-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154771740 374748877 /nfs/dbraw/zinc/74/88/77/374748877.db2.gz QCBJMLALCMLGGL-CABZTGNLSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154771740 374748885 /nfs/dbraw/zinc/74/88/85/374748885.db2.gz QCBJMLALCMLGGL-CABZTGNLSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277517072 374791083 /nfs/dbraw/zinc/79/10/83/374791083.db2.gz QMXWOVYSBJGLNC-ODXCJYRJSA-N 1 1 296.392 1.838 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277517072 374791090 /nfs/dbraw/zinc/79/10/90/374791090.db2.gz QMXWOVYSBJGLNC-ODXCJYRJSA-N 1 1 296.392 1.838 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442439 374853381 /nfs/dbraw/zinc/85/33/81/374853381.db2.gz ASJFEGDNFCVVPT-RNCFNFMXSA-N 1 1 266.297 1.503 20 5 CDBDMO C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442439 374853387 /nfs/dbraw/zinc/85/33/87/374853387.db2.gz ASJFEGDNFCVVPT-RNCFNFMXSA-N 1 1 266.297 1.503 20 5 CDBDMO COc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000279940831 374975889 /nfs/dbraw/zinc/97/58/89/374975889.db2.gz XFAWDPLSUGQZCW-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000279940831 374975895 /nfs/dbraw/zinc/97/58/95/374975895.db2.gz XFAWDPLSUGQZCW-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770724 375536678 /nfs/dbraw/zinc/53/66/78/375536678.db2.gz TZYWLGMZHKWOJX-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497687 375544323 /nfs/dbraw/zinc/54/43/23/375544323.db2.gz URSHFVKPLVZEJE-WCBMZHEXSA-N 1 1 267.333 1.531 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356089330 375817963 /nfs/dbraw/zinc/81/79/63/375817963.db2.gz UQDNPBGCIGFSLC-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356089330 375817969 /nfs/dbraw/zinc/81/79/69/375817969.db2.gz UQDNPBGCIGFSLC-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO CO[C@@H](C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355333253 375790423 /nfs/dbraw/zinc/79/04/23/375790423.db2.gz JGFMPXPVRQOUGG-JTQLQIEISA-N 1 1 270.333 1.574 20 5 CDBDMO CO[C@@H](C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355333253 375790429 /nfs/dbraw/zinc/79/04/29/375790429.db2.gz JGFMPXPVRQOUGG-JTQLQIEISA-N 1 1 270.333 1.574 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836670 375865097 /nfs/dbraw/zinc/86/50/97/375865097.db2.gz BRCZZXMONBPOQI-GHMZBOCLSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836670 375865104 /nfs/dbraw/zinc/86/51/04/375865104.db2.gz BRCZZXMONBPOQI-GHMZBOCLSA-N 1 1 277.324 1.759 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCNC1=O ZINC000347361514 376010921 /nfs/dbraw/zinc/01/09/21/376010921.db2.gz PBABBDCPQSWQPJ-ZHZWZMEUSA-N 1 1 289.335 1.818 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354676 376330913 /nfs/dbraw/zinc/33/09/13/376330913.db2.gz VJCWINZSZZDHMN-MNOVXSKESA-N 1 1 281.360 1.637 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264095532 190091272 /nfs/dbraw/zinc/09/12/72/190091272.db2.gz BJXKTIQFCILSIS-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO COCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434829986 248140873 /nfs/dbraw/zinc/14/08/73/248140873.db2.gz HUGXZAUQOJVQJV-UHFFFAOYSA-N 1 1 265.269 1.814 20 5 CDBDMO COCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434829986 248140875 /nfs/dbraw/zinc/14/08/75/248140875.db2.gz HUGXZAUQOJVQJV-UHFFFAOYSA-N 1 1 265.269 1.814 20 5 CDBDMO O=C(NCC[NH+]1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000264828928 190137501 /nfs/dbraw/zinc/13/75/01/190137501.db2.gz SWMMQOWHIDTUKO-UHFFFAOYSA-N 1 1 295.364 1.373 20 5 CDBDMO COCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266544346 190266159 /nfs/dbraw/zinc/26/61/59/190266159.db2.gz RERQGCATHICHKO-UHFFFAOYSA-N 1 1 284.312 1.560 20 5 CDBDMO CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000174864962 379597085 /nfs/dbraw/zinc/59/70/85/379597085.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO CN1CCC[C@H](C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174864962 379597107 /nfs/dbraw/zinc/59/71/07/379597107.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO CN1CCC[C@H](C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174864962 379597111 /nfs/dbraw/zinc/59/71/11/379597111.db2.gz HKIHRNUYQSMHRF-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO Cc1cc(N(C)[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000267043668 190299290 /nfs/dbraw/zinc/29/92/90/190299290.db2.gz CZRLQNRGYQMANT-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000267855005 190358691 /nfs/dbraw/zinc/35/86/91/190358691.db2.gz DGBACKOELGFAHG-UHFFFAOYSA-N 1 1 281.312 1.156 20 5 CDBDMO CC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000267855005 190358692 /nfs/dbraw/zinc/35/86/92/190358692.db2.gz DGBACKOELGFAHG-UHFFFAOYSA-N 1 1 281.312 1.156 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206100 190386457 /nfs/dbraw/zinc/38/64/57/190386457.db2.gz JSBBNXVKPXSPGV-YGRLFVJLSA-N 1 1 289.335 1.807 20 5 CDBDMO Cc1cnc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450600033 251360859 /nfs/dbraw/zinc/36/08/59/251360859.db2.gz UWMXEWHHSLGKKF-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355529 195208600 /nfs/dbraw/zinc/20/86/00/195208600.db2.gz KXBGEEZHEPGWKP-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550915 390631056 /nfs/dbraw/zinc/63/10/56/390631056.db2.gz XGABTLUODIIEIF-AAEUAGOBSA-N 1 1 282.344 1.538 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379109 390615272 /nfs/dbraw/zinc/61/52/72/390615272.db2.gz YYLRZJFUUHCSCI-YXMPFFBPSA-N 1 1 288.351 1.972 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000285381307 390818372 /nfs/dbraw/zinc/81/83/72/390818372.db2.gz RRUTYNRFDKCPCV-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000158879317 390942624 /nfs/dbraw/zinc/94/26/24/390942624.db2.gz LICWXZZGKUZZOE-UHFFFAOYSA-N 1 1 295.343 1.312 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000411745420 390968140 /nfs/dbraw/zinc/96/81/40/390968140.db2.gz PLEPHOWIHYLDSW-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000411771367 390968266 /nfs/dbraw/zinc/96/82/66/390968266.db2.gz PLEPHOWIHYLDSW-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412033840 391051629 /nfs/dbraw/zinc/05/16/29/391051629.db2.gz JMSWBSZTQIQDBN-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO CCN[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389656 392962563 /nfs/dbraw/zinc/96/25/63/392962563.db2.gz VKQMCUSCLMANOD-AGIUHOORSA-N 1 1 295.387 1.863 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000430197332 393090499 /nfs/dbraw/zinc/09/04/99/393090499.db2.gz UUVJWPCHYYFTCD-GFCCVEGCSA-N 1 1 295.339 1.593 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000430208375 393093020 /nfs/dbraw/zinc/09/30/20/393093020.db2.gz OQSKDEMZYXXFPN-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751255 135111946 /nfs/dbraw/zinc/11/19/46/135111946.db2.gz DFRNXZNCDDDEEK-GFCCVEGCSA-N 1 1 293.367 1.876 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261610164 140363969 /nfs/dbraw/zinc/36/39/69/140363969.db2.gz SGRGDDIXGRCMTQ-KGYLQXTDSA-N 1 1 261.325 1.764 20 5 CDBDMO CN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000312050716 149226171 /nfs/dbraw/zinc/22/61/71/149226171.db2.gz BYBBNTDHKWKHFN-VIFPVBQESA-N 1 1 283.715 1.569 20 5 CDBDMO CCCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543520 155260670 /nfs/dbraw/zinc/26/06/70/155260670.db2.gz GEQQYIYDIXLMMO-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO CCCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543520 155260672 /nfs/dbraw/zinc/26/06/72/155260672.db2.gz GEQQYIYDIXLMMO-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000343069700 152019686 /nfs/dbraw/zinc/01/96/86/152019686.db2.gz ZYDQRUKXCRJRLX-WDEREUQCSA-N 1 1 294.355 1.916 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000350083365 154323119 /nfs/dbraw/zinc/32/31/19/154323119.db2.gz QTAHLPYUECCNPJ-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000350083365 154323121 /nfs/dbraw/zinc/32/31/21/154323121.db2.gz QTAHLPYUECCNPJ-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO Cc1c(CNC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000359546438 158283101 /nfs/dbraw/zinc/28/31/01/158283101.db2.gz MDWXCHOLUAWQID-UHFFFAOYSA-N 1 1 292.339 1.360 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000363893199 159351733 /nfs/dbraw/zinc/35/17/33/159351733.db2.gz XLDZJAWGQMPJIW-ZTGIWPAFSA-N 1 1 278.308 1.036 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)CO ZINC000284882003 196149826 /nfs/dbraw/zinc/14/98/26/196149826.db2.gz TUSLDFASDKOEIE-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563213 175206430 /nfs/dbraw/zinc/20/64/30/175206430.db2.gz SFPKKCXVOJBRQG-SECBINFHSA-N 1 1 251.290 1.281 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072302155 176364895 /nfs/dbraw/zinc/36/48/95/176364895.db2.gz NZSFIFXZURAFQS-JTQLQIEISA-N 1 1 267.333 1.106 20 5 CDBDMO Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000078543576 177352209 /nfs/dbraw/zinc/35/22/09/177352209.db2.gz GABFJRGXYXUOQR-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450796753 274363745 /nfs/dbraw/zinc/36/37/45/274363745.db2.gz WHOKRONYBVFIHB-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989013 274373578 /nfs/dbraw/zinc/37/35/78/274373578.db2.gz NNWYTAFQCUHWJG-MNOVXSKESA-N 1 1 292.339 1.622 20 5 CDBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)OCC ZINC000411652331 276000075 /nfs/dbraw/zinc/00/00/75/276000075.db2.gz UUZFALGQJIEUID-LLVKDONJSA-N 1 1 298.343 1.455 20 5 CDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)OCC ZINC000411652331 276000076 /nfs/dbraw/zinc/00/00/76/276000076.db2.gz UUZFALGQJIEUID-LLVKDONJSA-N 1 1 298.343 1.455 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828517 276157953 /nfs/dbraw/zinc/15/79/53/276157953.db2.gz ZDAZAZRNLSNQQB-SNVBAGLBSA-N 1 1 267.333 1.615 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980652 277047766 /nfs/dbraw/zinc/04/77/66/277047766.db2.gz FEOSDBVVOZJTDF-CMPLNLGQSA-N 1 1 277.324 1.866 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980652 277047767 /nfs/dbraw/zinc/04/77/67/277047767.db2.gz FEOSDBVVOZJTDF-CMPLNLGQSA-N 1 1 277.324 1.866 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000331072757 279384616 /nfs/dbraw/zinc/38/46/16/279384616.db2.gz SUENODBQFUPHRN-MRVPVSSYSA-N 1 1 269.305 1.368 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000521927782 281078859 /nfs/dbraw/zinc/07/88/59/281078859.db2.gz YJBVCUDMMBRFJE-LLVKDONJSA-N 1 1 292.339 1.075 20 5 CDBDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000542573689 289549969 /nfs/dbraw/zinc/54/99/69/289549969.db2.gz IKGJPORLVITHTK-SNVBAGLBSA-N 1 1 292.343 1.957 20 5 CDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000562274206 293124175 /nfs/dbraw/zinc/12/41/75/293124175.db2.gz YRBCCNLSYMVWDP-LLVKDONJSA-N 1 1 295.314 1.563 20 5 CDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000562274206 293124178 /nfs/dbraw/zinc/12/41/78/293124178.db2.gz YRBCCNLSYMVWDP-LLVKDONJSA-N 1 1 295.314 1.563 20 5 CDBDMO Cc1nn(Cc2noc(C[NH3+])n2)c2ccc([N+](=O)[O-])cc12 ZINC000578766068 324020357 /nfs/dbraw/zinc/02/03/57/324020357.db2.gz CWRKDWGCZGTCBG-UHFFFAOYSA-N 1 1 288.267 1.143 20 5 CDBDMO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966805 1161996216 /nfs/dbraw/zinc/99/62/16/1161996216.db2.gz LGGGGFCPJJTWNH-KGLIPLIRSA-N 1 1 292.335 1.765 20 5 CDBDMO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)C1CC1 ZINC000068913365 524504787 /nfs/dbraw/zinc/50/47/87/524504787.db2.gz DQEPLNBXBHDPCR-MRVPVSSYSA-N 1 1 253.306 1.223 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339678343 527415918 /nfs/dbraw/zinc/41/59/18/527415918.db2.gz LFTYPJXDXWVDKZ-OCCSQVGLSA-N 1 1 294.355 1.274 20 5 CDBDMO CCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749949202 576969587 /nfs/dbraw/zinc/96/95/87/576969587.db2.gz LPCMDPWRMCQTKV-UHFFFAOYSA-N 1 1 263.301 1.947 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000752088617 577087672 /nfs/dbraw/zinc/08/76/72/577087672.db2.gz MTEPHBLAHONWAH-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000752088617 577087674 /nfs/dbraw/zinc/08/76/74/577087674.db2.gz MTEPHBLAHONWAH-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](CCO)CC2CC2)c1[N+](=O)[O-] ZINC000891808256 617601293 /nfs/dbraw/zinc/60/12/93/617601293.db2.gz UGAZEZUHXKGYLC-UHFFFAOYSA-N 1 1 296.323 1.513 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933903091 617734565 /nfs/dbraw/zinc/73/45/65/617734565.db2.gz GTKKJAYXWWQFEQ-CQSZACIVSA-N 1 1 292.335 1.975 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000892427024 618185698 /nfs/dbraw/zinc/18/56/98/618185698.db2.gz YMHOJCGFROBGKR-UHFFFAOYSA-N 1 1 291.311 1.663 20 5 CDBDMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928571901 619418244 /nfs/dbraw/zinc/41/82/44/619418244.db2.gz DVCZMIWOCPTEII-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO COc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928571901 619418246 /nfs/dbraw/zinc/41/82/46/619418246.db2.gz DVCZMIWOCPTEII-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000895245346 619486387 /nfs/dbraw/zinc/48/63/87/619486387.db2.gz FTPRLVFXACJEAC-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895245346 619486389 /nfs/dbraw/zinc/48/63/89/619486389.db2.gz FTPRLVFXACJEAC-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000895245346 619486390 /nfs/dbraw/zinc/48/63/90/619486390.db2.gz FTPRLVFXACJEAC-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247136 619492551 /nfs/dbraw/zinc/49/25/51/619492551.db2.gz TUDRQTSDXFYBAW-MFKMUULPSA-N 1 1 296.346 1.780 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000899859306 622486853 /nfs/dbraw/zinc/48/68/53/622486853.db2.gz IWPCIPHMSSSMAL-LLVKDONJSA-N 1 1 269.370 1.751 20 5 CDBDMO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905162430 626673392 /nfs/dbraw/zinc/67/33/92/626673392.db2.gz ZLWUAUDBVCJMFP-TZMCWYRMSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1 ZINC000905162430 626673394 /nfs/dbraw/zinc/67/33/94/626673394.db2.gz ZLWUAUDBVCJMFP-TZMCWYRMSA-N 1 1 263.341 1.516 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000905380791 626777274 /nfs/dbraw/zinc/77/72/74/626777274.db2.gz JTBKSKFQBIJRBD-UHFFFAOYSA-N 1 1 264.203 1.793 20 5 CDBDMO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912805062 630217833 /nfs/dbraw/zinc/21/78/33/630217833.db2.gz IGQJKQWXXRPGAH-QNWHQSFQSA-N 1 1 283.372 1.230 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913303629 630441150 /nfs/dbraw/zinc/44/11/50/630441150.db2.gz YYJOHZFAAYKBQN-NSHDSACASA-N 1 1 296.327 1.209 20 5 CDBDMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239343 631280965 /nfs/dbraw/zinc/28/09/65/631280965.db2.gz BCTHIIRKXGLWSD-GXFFZTMASA-N 1 1 292.339 1.659 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335710 1162339490 /nfs/dbraw/zinc/33/94/90/1162339490.db2.gz QMDZUWJQSYVCOT-NHYWBVRUSA-N 1 1 294.351 1.991 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330337 1162338108 /nfs/dbraw/zinc/33/81/08/1162338108.db2.gz ZKNSPPVXKZEQEO-ZIBATOQPSA-N 1 1 294.351 1.847 20 5 CDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158424461 1162983491 /nfs/dbraw/zinc/98/34/91/1162983491.db2.gz VPAREGHCKIRYFO-MRVPVSSYSA-N 1 1 268.704 1.538 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634356 719222074 /nfs/dbraw/zinc/22/20/74/719222074.db2.gz GOUAKPHYEVVEQX-NXEZZACHSA-N 1 1 289.339 2.000 20 5 CDBDMO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930663023 728823654 /nfs/dbraw/zinc/82/36/54/728823654.db2.gz FIPLHEHWKWHEQX-NWDGAFQWSA-N 1 1 299.371 1.594 20 5 CDBDMO CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930663023 728823655 /nfs/dbraw/zinc/82/36/55/728823655.db2.gz FIPLHEHWKWHEQX-NWDGAFQWSA-N 1 1 299.371 1.594 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673390 728837587 /nfs/dbraw/zinc/83/75/87/728837587.db2.gz KNOFVMSEVZPLOS-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H](O)[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062007 728837982 /nfs/dbraw/zinc/83/79/82/728837982.db2.gz XCXPYGCLHAHJGZ-QMTHXVAHSA-N 1 1 280.324 1.301 20 5 CDBDMO C[C@@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062007 728837983 /nfs/dbraw/zinc/83/79/83/728837983.db2.gz XCXPYGCLHAHJGZ-QMTHXVAHSA-N 1 1 280.324 1.301 20 5 CDBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000819259152 728925887 /nfs/dbraw/zinc/92/58/87/728925887.db2.gz UKTUQERCOJBTSL-SKDRFNHKSA-N 1 1 291.311 1.108 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)C2CCC2)cc1 ZINC000784392510 728930075 /nfs/dbraw/zinc/93/00/75/728930075.db2.gz HULOBQKWAZKKAS-CQSZACIVSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829439446 728945971 /nfs/dbraw/zinc/94/59/71/728945971.db2.gz CAEZQACVLJOGPN-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO [NH3+]CC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886827070 728954963 /nfs/dbraw/zinc/95/49/63/728954963.db2.gz CUKSEVDLAFJALR-UHFFFAOYSA-N 1 1 250.302 1.161 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000176200301 728436846 /nfs/dbraw/zinc/43/68/46/728436846.db2.gz VGGGEDNFABNLDD-PHIMTYICSA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000719064340 728514462 /nfs/dbraw/zinc/51/44/62/728514462.db2.gz DJZDKXLWXVMHFF-LBPRGKRZSA-N 1 1 278.308 1.790 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147687 729070433 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Cc1nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375315 942460872 /nfs/dbraw/zinc/46/08/72/942460872.db2.gz BABCZAOGGNYUNJ-ILWJIGKKSA-N 1 1 294.311 1.403 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231457 942593595 /nfs/dbraw/zinc/59/35/95/942593595.db2.gz KEYDXEPCGHEOQV-VIFPVBQESA-N 1 1 291.311 1.729 20 5 CDBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230595076 942651443 /nfs/dbraw/zinc/65/14/43/942651443.db2.gz IVTNZVAVMASLLF-CQSZACIVSA-N 1 1 288.307 1.944 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261128684 945970917 /nfs/dbraw/zinc/97/09/17/945970917.db2.gz ZGTZDLODRWIUDF-LBPRGKRZSA-N 1 1 293.371 1.794 20 5 CDBDMO CC(C)OC(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262254906 946550867 /nfs/dbraw/zinc/55/08/67/946550867.db2.gz ZAXCCTRRSWQWCS-CYBMUJFWSA-N 1 1 280.324 1.936 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)C1 ZINC001254562816 947524892 /nfs/dbraw/zinc/52/48/92/947524892.db2.gz PFYCDJBPAQQETG-RYUDHWBXSA-N 1 1 264.325 1.840 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001254597396 947545721 /nfs/dbraw/zinc/54/57/21/947545721.db2.gz DBQKDZMZZIUEHD-JKSUJKDBSA-N 1 1 287.363 1.842 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H](F)C[C@@H](CO)C1)C2 ZINC001254596429 947546520 /nfs/dbraw/zinc/54/65/20/947546520.db2.gz DRAYFVSJPKZZCY-WDBKCZKBSA-N 1 1 294.326 1.714 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H](F)C[C@@H](CO)C1)C2 ZINC001254596429 947546525 /nfs/dbraw/zinc/54/65/25/947546525.db2.gz DRAYFVSJPKZZCY-WDBKCZKBSA-N 1 1 294.326 1.714 20 5 CDBDMO C[C@H]1CC[C@@H](CO)[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593550 947546690 /nfs/dbraw/zinc/54/66/90/947546690.db2.gz MVGZIIBHBSJDHF-NZVBXONLSA-N 1 1 276.336 1.907 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605555 947552250 /nfs/dbraw/zinc/55/22/50/947552250.db2.gz 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ZINC001344813055 964441116 /nfs/dbraw/zinc/44/11/16/964441116.db2.gz QHGYAYFQBOBLLE-SECBINFHSA-N 1 1 290.279 1.398 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000601187425 342489423 /nfs/dbraw/zinc/48/94/23/342489423.db2.gz SOPGOLRTKVKHAI-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO Cn1cc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000046037650 342049092 /nfs/dbraw/zinc/04/90/92/342049092.db2.gz NBKBQVKUTITORI-UHFFFAOYSA-N 1 1 290.323 1.839 20 5 CDBDMO C[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000203998316 342053056 /nfs/dbraw/zinc/05/30/56/342053056.db2.gz GEQWLXSCWKIFHS-UHFFFAOYSA-N 1 1 279.340 1.488 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000609189782 342093403 /nfs/dbraw/zinc/09/34/03/342093403.db2.gz ABIOUGVGFIZFLT-UHFFFAOYSA-N 1 1 294.355 1.538 20 5 CDBDMO O=C1CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)N1 ZINC000593021721 342758499 /nfs/dbraw/zinc/75/84/99/342758499.db2.gz XLSBWHDKGNHRQS-LBPRGKRZSA-N 1 1 289.335 1.838 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109995 342769661 /nfs/dbraw/zinc/76/96/61/342769661.db2.gz PTVZEGQQYOQZIK-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000593728027 342829684 /nfs/dbraw/zinc/82/96/84/342829684.db2.gz WGXOKCCCFFOCRT-GXFFZTMASA-N 1 1 277.324 1.484 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000595291135 343024987 /nfs/dbraw/zinc/02/49/87/343024987.db2.gz GPHKUERXLXSBMZ-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000595291135 343024989 /nfs/dbraw/zinc/02/49/89/343024989.db2.gz GPHKUERXLXSBMZ-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342768 343042969 /nfs/dbraw/zinc/04/29/69/343042969.db2.gz RCCZKGUNYPNJCT-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595342768 343042972 /nfs/dbraw/zinc/04/29/72/343042972.db2.gz 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280.324 1.676 20 5 CDBDMO Cc1c(CN2CC[N@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602714920 344554801 /nfs/dbraw/zinc/55/48/01/344554801.db2.gz KIJHKHFYTKSONO-CYBMUJFWSA-N 1 1 279.340 1.012 20 5 CDBDMO COC1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602779580 344595706 /nfs/dbraw/zinc/59/57/06/344595706.db2.gz IWQYIXPDWFZYOP-UHFFFAOYSA-N 1 1 296.371 1.989 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602750149 344579474 /nfs/dbraw/zinc/57/94/74/344579474.db2.gz DHAOCRWGUCBUSH-LBPRGKRZSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602750149 344579476 /nfs/dbraw/zinc/57/94/76/344579476.db2.gz DHAOCRWGUCBUSH-LBPRGKRZSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCCOC1 ZINC000602833863 344615287 /nfs/dbraw/zinc/61/52/87/344615287.db2.gz WRBIALVIYAZQJV-NSHDSACASA-N 1 1 268.317 1.211 20 5 CDBDMO CCn1cc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602786161 344599045 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O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293029485 362526336 /nfs/dbraw/zinc/52/63/36/362526336.db2.gz GDSQWIVEERXHHT-CYBMUJFWSA-N 1 1 280.324 1.820 20 5 CDBDMO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000609517009 345592464 /nfs/dbraw/zinc/59/24/64/345592464.db2.gz CMPNSNFDGHKSNF-SECBINFHSA-N 1 1 270.358 1.314 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000609517009 345592466 /nfs/dbraw/zinc/59/24/66/345592466.db2.gz CMPNSNFDGHKSNF-SECBINFHSA-N 1 1 270.358 1.314 20 5 CDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763086 345626760 /nfs/dbraw/zinc/62/67/60/345626760.db2.gz HQYSMVPRVJNBRR-VIFPVBQESA-N 1 1 252.270 1.115 20 5 CDBDMO COc1cc(C[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1F ZINC000613380826 347708404 /nfs/dbraw/zinc/70/84/04/347708404.db2.gz MVYJCFRKUKQGMO-ZDUSSCGKSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1F ZINC000613380826 347708408 /nfs/dbraw/zinc/70/84/08/347708408.db2.gz MVYJCFRKUKQGMO-ZDUSSCGKSA-N 1 1 298.314 1.945 20 5 CDBDMO CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000063756157 348932181 /nfs/dbraw/zinc/93/21/81/348932181.db2.gz LHQDXNSMTHDECD-LBPRGKRZSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1ncc([N+](=O)[O-])cn1 ZINC000273990276 192393632 /nfs/dbraw/zinc/39/36/32/192393632.db2.gz ROIUHZLSRSIRFV-UHFFFAOYSA-N 1 1 276.300 1.416 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090548785 180001594 /nfs/dbraw/zinc/00/15/94/180001594.db2.gz NHEVOUCHCHHYOL-WCQYABFASA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090548785 180001597 /nfs/dbraw/zinc/00/15/97/180001597.db2.gz NHEVOUCHCHHYOL-WCQYABFASA-N 1 1 295.339 1.256 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](C)CCO1 ZINC000108945594 186236446 /nfs/dbraw/zinc/23/64/46/186236446.db2.gz LYDPNEFBIAZVCW-NSHDSACASA-N 1 1 265.313 1.646 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](C)CCO1 ZINC000108945594 186236448 /nfs/dbraw/zinc/23/64/48/186236448.db2.gz LYDPNEFBIAZVCW-NSHDSACASA-N 1 1 265.313 1.646 20 5 CDBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768401 350967876 /nfs/dbraw/zinc/96/78/76/350967876.db2.gz PAUOAWRLWSOZRT-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768401 350967882 /nfs/dbraw/zinc/96/78/82/350967882.db2.gz PAUOAWRLWSOZRT-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO COC[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091861495 351260300 /nfs/dbraw/zinc/26/03/00/351260300.db2.gz ILVLAWUDFUGJOD-LLVKDONJSA-N 1 1 266.297 1.911 20 5 CDBDMO CCN(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292202623 198200751 /nfs/dbraw/zinc/20/07/51/198200751.db2.gz SKKHJZPIDLKNRI-UHFFFAOYSA-N 1 1 279.340 1.898 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](C)C1 ZINC000153611762 188093413 /nfs/dbraw/zinc/09/34/13/188093413.db2.gz XNJZJCCJMXCZMW-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153611762 188093415 /nfs/dbraw/zinc/09/34/15/188093415.db2.gz XNJZJCCJMXCZMW-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO NC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000154991345 188175478 /nfs/dbraw/zinc/17/54/78/188175478.db2.gz ONPGWHUSIUJENJ-YIALFULDSA-N 1 1 289.335 1.805 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000292444005 198290509 /nfs/dbraw/zinc/29/05/09/198290509.db2.gz OTQSFNMBLDEHQJ-RYUDHWBXSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@H](O)C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289696243 363363484 /nfs/dbraw/zinc/36/34/84/363363484.db2.gz HCIZPLPQPQLUJF-VIFPVBQESA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@H](O)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289696243 363363490 /nfs/dbraw/zinc/36/34/90/363363490.db2.gz HCIZPLPQPQLUJF-VIFPVBQESA-N 1 1 288.731 1.423 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000411926114 363380556 /nfs/dbraw/zinc/38/05/56/363380556.db2.gz UXPBORSUDPVAPN-KBPBESRZSA-N 1 1 280.324 1.219 20 5 CDBDMO O=C1NCC[C@]12CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000578080092 356131847 /nfs/dbraw/zinc/13/18/47/356131847.db2.gz MNOHUFBXNGUGOZ-CQSZACIVSA-N 1 1 275.308 1.449 20 5 CDBDMO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000578080092 356131851 /nfs/dbraw/zinc/13/18/51/356131851.db2.gz MNOHUFBXNGUGOZ-CQSZACIVSA-N 1 1 275.308 1.449 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286252315 356236620 /nfs/dbraw/zinc/23/66/20/356236620.db2.gz QTGPHBVWEZDSMO-BXKDBHETSA-N 1 1 277.324 1.456 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000229904374 356306858 /nfs/dbraw/zinc/30/68/58/356306858.db2.gz MMBKPZLIMAEUCO-JHJVBQTASA-N 1 1 281.356 1.129 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612105 356361988 /nfs/dbraw/zinc/36/19/88/356361988.db2.gz AFRIGMZBTVYYDN-JTQLQIEISA-N 1 1 250.302 1.744 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335821 357178486 /nfs/dbraw/zinc/17/84/86/357178486.db2.gz QGOPNACCBLUEHX-JTQLQIEISA-N 1 1 266.297 1.836 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408067652 357802569 /nfs/dbraw/zinc/80/25/69/357802569.db2.gz DIBKUOCFPOPUFP-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408067652 357802573 /nfs/dbraw/zinc/80/25/73/357802573.db2.gz DIBKUOCFPOPUFP-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO CSC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000187816278 357809980 /nfs/dbraw/zinc/80/99/80/357809980.db2.gz JJMGDPWRZRMZKP-LLVKDONJSA-N 1 1 270.354 1.751 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189831667 358041679 /nfs/dbraw/zinc/04/16/79/358041679.db2.gz OXEGGDFWSZWMMT-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169989 358179691 /nfs/dbraw/zinc/17/96/91/358179691.db2.gz UBCXOFDBXIBBHO-LLVKDONJSA-N 1 1 297.380 1.584 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000193587001 358306411 /nfs/dbraw/zinc/30/64/11/358306411.db2.gz DFKGTMABCGSTCK-PRHODGIISA-N 1 1 297.742 1.862 20 5 CDBDMO Cc1c(OC[C@H](O)C[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844721 358677329 /nfs/dbraw/zinc/67/73/29/358677329.db2.gz WMQWNFPGDKQRRU-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243348 358750407 /nfs/dbraw/zinc/75/04/07/358750407.db2.gz CUSJTZOFGAMUSO-LLVKDONJSA-N 1 1 268.317 1.150 20 5 CDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862916 359087768 /nfs/dbraw/zinc/08/77/68/359087768.db2.gz YJNPBGIIRATGCP-NEPJUHHUSA-N 1 1 294.355 1.718 20 5 CDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862916 359087770 /nfs/dbraw/zinc/08/77/70/359087770.db2.gz YJNPBGIIRATGCP-NEPJUHHUSA-N 1 1 294.355 1.718 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)C1CCC1 ZINC000221159213 359464802 /nfs/dbraw/zinc/46/48/02/359464802.db2.gz ATPJIQFKOGILRE-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000050053760 359565607 /nfs/dbraw/zinc/56/56/07/359565607.db2.gz KARFLMAOLQGXRN-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135586705 359734473 /nfs/dbraw/zinc/73/44/73/359734473.db2.gz GRXMVIUBLBQINI-UHFFFAOYSA-N 1 1 292.335 1.976 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135586705 359734476 /nfs/dbraw/zinc/73/44/76/359734476.db2.gz GRXMVIUBLBQINI-UHFFFAOYSA-N 1 1 292.335 1.976 20 5 CDBDMO Cc1cc(NCC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000073000405 359943246 /nfs/dbraw/zinc/94/32/46/359943246.db2.gz DCJAJPIRDPFBHF-UHFFFAOYSA-N 1 1 250.302 1.804 20 5 CDBDMO C[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000248153277 360418385 /nfs/dbraw/zinc/41/83/85/360418385.db2.gz UWVQPONQTXQHFH-UHFFFAOYSA-N 1 1 292.339 1.171 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000575114056 360805161 /nfs/dbraw/zinc/80/51/61/360805161.db2.gz IKHLOJFMDDFHBL-SLEUVZQESA-N 1 1 294.351 1.639 20 5 CDBDMO COc1cc(C[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184223096 189380328 /nfs/dbraw/zinc/38/03/28/189380328.db2.gz WCDYSGHXWFFIIM-VIFPVBQESA-N 1 1 286.303 1.945 20 5 CDBDMO COc1cc(C[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184223096 189380329 /nfs/dbraw/zinc/38/03/29/189380329.db2.gz WCDYSGHXWFFIIM-VIFPVBQESA-N 1 1 286.303 1.945 20 5 CDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301974171 201283246 /nfs/dbraw/zinc/28/32/46/201283246.db2.gz BKLDSFABAVDOJR-UHFFFAOYSA-N 1 1 280.328 1.318 20 5 CDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000456356295 364252925 /nfs/dbraw/zinc/25/29/25/364252925.db2.gz ROCRCQFMCCXQMQ-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000456356295 364252931 /nfs/dbraw/zinc/25/29/31/364252931.db2.gz ROCRCQFMCCXQMQ-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000456356295 364252936 /nfs/dbraw/zinc/25/29/36/364252936.db2.gz ROCRCQFMCCXQMQ-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000456356295 364252940 /nfs/dbraw/zinc/25/29/40/364252940.db2.gz ROCRCQFMCCXQMQ-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889761 364438698 /nfs/dbraw/zinc/43/86/98/364438698.db2.gz ZBHPIBNGLKSSCH-CHWSQXEVSA-N 1 1 296.371 1.807 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881196 364587961 /nfs/dbraw/zinc/58/79/61/364587961.db2.gz DSCMKHDIYXMHPQ-GFCCVEGCSA-N 1 1 281.360 1.065 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000270822786 366934817 /nfs/dbraw/zinc/93/48/17/366934817.db2.gz BLBVUJNPLWMOHR-WCQYABFASA-N 1 1 280.324 1.806 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)CC2)cc1F ZINC000094774234 367008518 /nfs/dbraw/zinc/00/85/18/367008518.db2.gz SZUWFKXVFVUSKZ-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000275913094 193161842 /nfs/dbraw/zinc/16/18/42/193161842.db2.gz XUECCBZSBDSNKI-AWEZNQCLSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000546811828 367951769 /nfs/dbraw/zinc/95/17/69/367951769.db2.gz LLOYNBFGZXTLMU-CQSZACIVSA-N 1 1 293.323 1.041 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441195666 368412524 /nfs/dbraw/zinc/41/25/24/368412524.db2.gz JDKTVVXSARVPMV-VXGBXAGGSA-N 1 1 294.355 1.577 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578044 244264131 /nfs/dbraw/zinc/26/41/31/244264131.db2.gz CEFVDJKJKBIQMA-SNVBAGLBSA-N 1 1 292.339 1.590 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646938 369496065 /nfs/dbraw/zinc/49/60/65/369496065.db2.gz HZCYPUXGOMUDOB-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000619481625 374181463 /nfs/dbraw/zinc/18/14/63/374181463.db2.gz OXHWFUMBNYPGMI-UHFFFAOYSA-N 1 1 293.371 1.794 20 5 CDBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000113349656 374252520 /nfs/dbraw/zinc/25/25/20/374252520.db2.gz SEKJZFPQNBHVRM-JTQLQIEISA-N 1 1 286.353 1.508 20 5 CDBDMO CC[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H](CC)O1 ZINC000420959266 374309013 /nfs/dbraw/zinc/30/90/13/374309013.db2.gz QEKMWILBACEGKI-RYUDHWBXSA-N 1 1 282.344 1.681 20 5 CDBDMO CC(C)(N)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282971 374375871 /nfs/dbraw/zinc/37/58/71/374375871.db2.gz DQCARVNFSBOIIR-WDEREUQCSA-N 1 1 281.360 1.602 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473655 374383779 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/nfs/dbraw/zinc/05/95/28/277059528.db2.gz FEOSDBVVOZJTDF-JQWIXIFHSA-N 1 1 277.324 1.866 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980655 277059529 /nfs/dbraw/zinc/05/95/29/277059529.db2.gz FEOSDBVVOZJTDF-JQWIXIFHSA-N 1 1 277.324 1.866 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023830 277158415 /nfs/dbraw/zinc/15/84/15/277158415.db2.gz WGUUPYVNKDDWCL-ZYHUDNBSSA-N 1 1 277.328 1.305 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000408087374 279101806 /nfs/dbraw/zinc/10/18/06/279101806.db2.gz NROJEXRGBOZZDT-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000408087374 279101807 /nfs/dbraw/zinc/10/18/07/279101807.db2.gz NROJEXRGBOZZDT-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000074286232 279217416 /nfs/dbraw/zinc/21/74/16/279217416.db2.gz YYPZWZORGUIBIQ-UHFFFAOYSA-N 1 1 265.313 1.551 20 5 CDBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108336870 279305364 /nfs/dbraw/zinc/30/53/64/279305364.db2.gz CXDGSZCGDDODLK-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343480507 280105915 /nfs/dbraw/zinc/10/59/15/280105915.db2.gz DLADSRKBJNDBEU-ZANVPECISA-N 1 1 295.314 1.946 20 5 CDBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000541983496 289530319 /nfs/dbraw/zinc/53/03/19/289530319.db2.gz JVASZHCPEDAYIC-GFCCVEGCSA-N 1 1 290.323 1.460 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139311 316239792 /nfs/dbraw/zinc/23/97/92/316239792.db2.gz AGLBLFHSYZYXAT-SSDOTTSWSA-N 1 1 264.241 1.657 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000563930234 316399042 /nfs/dbraw/zinc/39/90/42/316399042.db2.gz LTTHJKZMSZUUHP-ZJUUUORDSA-N 1 1 293.327 1.017 20 5 CDBDMO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001168316474 1160708368 /nfs/dbraw/zinc/70/83/68/1160708368.db2.gz ZDUPTOUDLOAKBG-UHFFFAOYSA-N 1 1 276.300 1.142 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCOCC2)cc1 ZINC000363377453 527347531 /nfs/dbraw/zinc/34/75/31/527347531.db2.gz BTXXLUACSQUSCZ-UHFFFAOYSA-N 1 1 250.298 1.860 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428600 527490458 /nfs/dbraw/zinc/49/04/58/527490458.db2.gz PUPHXSBUOIMRMM-AWEZNQCLSA-N 1 1 293.371 1.246 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348555 576676675 /nfs/dbraw/zinc/67/66/75/576676675.db2.gz UWFKTNNHGXCZPN-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO CC[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000804795442 617333097 /nfs/dbraw/zinc/33/30/97/617333097.db2.gz RNQGETANAUIJOD-LLVKDONJSA-N 1 1 289.339 1.773 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]1CO ZINC000934021500 617861020 /nfs/dbraw/zinc/86/10/20/617861020.db2.gz OHYWEGNWCNSOOG-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936084 618196085 /nfs/dbraw/zinc/19/60/85/618196085.db2.gz VEFSWYLUQUCHCZ-TVQRCGJNSA-N 1 1 292.295 1.643 20 5 CDBDMO COc1c(C(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928557979 619371982 /nfs/dbraw/zinc/37/19/82/619371982.db2.gz VXHYGNWZMHBVKT-SECBINFHSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1c(C(=O)NC[C@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000928557979 619371986 /nfs/dbraw/zinc/37/19/86/619371986.db2.gz VXHYGNWZMHBVKT-SECBINFHSA-N 1 1 279.296 1.037 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000928566135 619403257 /nfs/dbraw/zinc/40/32/57/619403257.db2.gz PIURPCMAPKMVOM-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000928566135 619403262 /nfs/dbraw/zinc/40/32/62/619403262.db2.gz PIURPCMAPKMVOM-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[NH+](C)C1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000896388854 620082595 /nfs/dbraw/zinc/08/25/95/620082595.db2.gz LPHYQKNTUYGCQX-UHFFFAOYSA-N 1 1 264.241 1.789 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000897680172 621067360 /nfs/dbraw/zinc/06/73/60/621067360.db2.gz QFZMHLCYGIWYGU-LDYMZIIASA-N 1 1 282.296 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000897680172 621067364 /nfs/dbraw/zinc/06/73/64/621067364.db2.gz QFZMHLCYGIWYGU-LDYMZIIASA-N 1 1 282.296 1.122 20 5 CDBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC000929823655 631453769 /nfs/dbraw/zinc/45/37/69/631453769.db2.gz SUXQLBQQEIIVQS-ZDUSSCGKSA-N 1 1 263.341 1.994 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000920599254 632810137 /nfs/dbraw/zinc/81/01/37/632810137.db2.gz OQYTWYZSSFRBCM-GFCCVEGCSA-N 1 1 292.339 1.141 20 5 CDBDMO C[C@@H](NCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500344 1162056369 /nfs/dbraw/zinc/05/63/69/1162056369.db2.gz ASNDRVUTEQJRRU-LLVKDONJSA-N 1 1 278.356 1.923 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1CC[NH3+] ZINC000070149595 1171645821 /nfs/dbraw/zinc/64/58/21/1171645821.db2.gz LSZCDQIPFIQCNX-GFCCVEGCSA-N 1 1 281.360 1.303 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC001593483044 1174084490 /nfs/dbraw/zinc/08/44/90/1174084490.db2.gz SHGGNOQULJYJAT-QPUJVOFHSA-N 1 1 286.295 1.369 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570638 730528297 /nfs/dbraw/zinc/52/82/97/730528297.db2.gz GLDRYKLGCGSUOQ-CYBMUJFWSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572763 730626815 /nfs/dbraw/zinc/62/68/15/730626815.db2.gz VNJZFUHEBHRHOZ-OBPIAQAESA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572763 730626819 /nfs/dbraw/zinc/62/68/19/730626819.db2.gz VNJZFUHEBHRHOZ-OBPIAQAESA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572763 730626826 /nfs/dbraw/zinc/62/68/26/730626826.db2.gz VNJZFUHEBHRHOZ-OBPIAQAESA-N 1 1 283.372 1.134 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000840119343 730731499 /nfs/dbraw/zinc/73/14/99/730731499.db2.gz HGDNQVCFLLCWEM-XQQFMLRXSA-N 1 1 280.328 1.374 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925405604 730878875 /nfs/dbraw/zinc/87/88/75/730878875.db2.gz YFRGUWDNRDZZEH-LBPRGKRZSA-N 1 1 292.339 1.440 20 5 CDBDMO CSCC[C@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843234449 730900393 /nfs/dbraw/zinc/90/03/93/730900393.db2.gz UHAYMBWICZDTIO-QMMMGPOBSA-N 1 1 288.373 1.810 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933239593 731029691 /nfs/dbraw/zinc/02/96/91/731029691.db2.gz GJFRIWPNNKPRPR-SNVBAGLBSA-N 1 1 278.230 1.605 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776276883 731126673 /nfs/dbraw/zinc/12/66/73/731126673.db2.gz KZPSQSBGVMEPHZ-DOMZBBRYSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000854423261 731240138 /nfs/dbraw/zinc/24/01/38/731240138.db2.gz UTFIUYMEQGZRDZ-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000854423261 731240142 /nfs/dbraw/zinc/24/01/42/731240142.db2.gz UTFIUYMEQGZRDZ-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000840087491 731331944 /nfs/dbraw/zinc/33/19/44/731331944.db2.gz SZOSFUIZPVXYIC-CYBMUJFWSA-N 1 1 279.344 1.167 20 5 CDBDMO CC(C)(N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841030884 731393888 /nfs/dbraw/zinc/39/38/88/731393888.db2.gz MRUSNVOTKBNUON-UHFFFAOYSA-N 1 1 292.383 1.891 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000852636503 731739064 /nfs/dbraw/zinc/73/90/64/731739064.db2.gz VXNAUDCHURBSFD-VHRBIJSZSA-N 1 1 262.309 1.970 20 5 CDBDMO O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CCCC[NH2+]3)n2)nc1 ZINC000822862522 732004507 /nfs/dbraw/zinc/00/45/07/732004507.db2.gz JVLWHGAMGSVJLY-NSHDSACASA-N 1 1 289.295 1.778 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825981521 732146009 /nfs/dbraw/zinc/14/60/09/732146009.db2.gz VENUPGWSTDQUQY-GFCCVEGCSA-N 1 1 285.388 1.621 20 5 CDBDMO C[N@H+](CC(=O)OCC(C)(C)[N+](=O)[O-])[C@@H]1CCSC1 ZINC000851127166 732357609 /nfs/dbraw/zinc/35/76/09/732357609.db2.gz KYQJWEXZYUKAIS-SECBINFHSA-N 1 1 276.358 1.022 20 5 CDBDMO C[N@@H+](CC(=O)OCC(C)(C)[N+](=O)[O-])[C@@H]1CCSC1 ZINC000851127166 732357613 /nfs/dbraw/zinc/35/76/13/732357613.db2.gz KYQJWEXZYUKAIS-SECBINFHSA-N 1 1 276.358 1.022 20 5 CDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000793572277 732429777 /nfs/dbraw/zinc/42/97/77/732429777.db2.gz JTTJULUVRHVKFH-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000793572277 732429781 /nfs/dbraw/zinc/42/97/81/732429781.db2.gz JTTJULUVRHVKFH-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000842629908 732596779 /nfs/dbraw/zinc/59/67/79/732596779.db2.gz YZUNDOUHTDWXEC-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000842629908 732596784 /nfs/dbraw/zinc/59/67/84/732596784.db2.gz YZUNDOUHTDWXEC-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO C[C@@H](O)[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140535 732599962 /nfs/dbraw/zinc/59/99/62/732599962.db2.gz CIMOXRDFLVYKCM-QMTHXVAHSA-N 1 1 280.324 1.301 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313727 732931901 /nfs/dbraw/zinc/93/19/01/732931901.db2.gz OFPWFLNMXHILJE-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](F)C[C@H]1CO ZINC001173229964 912324471 /nfs/dbraw/zinc/32/44/71/912324471.db2.gz WNLIKMRBEOZUIN-SUHUHFCYSA-N 1 1 282.315 1.931 20 5 CDBDMO Cc1ccc(COC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223223981 901045604 /nfs/dbraw/zinc/04/56/04/901045604.db2.gz HJGWAWALJXASLS-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1ccc(COC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223223981 901045617 /nfs/dbraw/zinc/04/56/17/901045617.db2.gz HJGWAWALJXASLS-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001177313774 914590339 /nfs/dbraw/zinc/59/03/39/914590339.db2.gz OUFJRGSHYYSHKZ-ZIAGYGMSSA-N 1 1 297.399 1.670 20 5 CDBDMO O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661987 914874927 /nfs/dbraw/zinc/87/49/27/914874927.db2.gz QBOOFEKIZVURQY-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H](O)C1)CC2 ZINC001172910388 912104469 /nfs/dbraw/zinc/10/44/69/912104469.db2.gz YQMXSOOGRIQQSA-DZGCQCFKSA-N 1 1 276.336 1.909 20 5 CDBDMO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839704039 936920659 /nfs/dbraw/zinc/92/06/59/936920659.db2.gz SFAXLZHJUUYROR-CHWSQXEVSA-N 1 1 295.339 1.143 20 5 CDBDMO COCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001230940667 925588711 /nfs/dbraw/zinc/58/87/11/925588711.db2.gz XTTRSBFBNUSGIN-UHFFFAOYSA-N 1 1 295.339 1.179 20 5 CDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168955498 927577465 /nfs/dbraw/zinc/57/74/65/927577465.db2.gz AXYGQSQRSZEYOK-NEPJUHHUSA-N 1 1 284.356 1.897 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008059 927612297 /nfs/dbraw/zinc/61/22/97/927612297.db2.gz RILSWJRQCICKFM-AGIUHOORSA-N 1 1 256.346 1.669 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccccc2)C1 ZINC001169009466 927614354 /nfs/dbraw/zinc/61/43/54/927614354.db2.gz WJZHYKWITMVHLX-GJZGRUSLSA-N 1 1 278.352 1.926 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011939 927616875 /nfs/dbraw/zinc/61/68/75/927616875.db2.gz NUTKESCHIWKQJE-AGIUHOORSA-N 1 1 256.346 1.933 20 5 CDBDMO CC[N@@H+](CCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033216 927640947 /nfs/dbraw/zinc/64/09/47/927640947.db2.gz BKLITNBGMOBDRG-KGLIPLIRSA-N 1 1 269.389 1.850 20 5 CDBDMO Cc1noc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035137 927642714 /nfs/dbraw/zinc/64/27/14/927642714.db2.gz AKVBAGDKFPZFKD-IJLUTSLNSA-N 1 1 280.328 1.613 20 5 CDBDMO Cc1noc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035139 927643469 /nfs/dbraw/zinc/64/34/69/927643469.db2.gz AKVBAGDKFPZFKD-TUAOUCFPSA-N 1 1 280.328 1.613 20 5 CDBDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037753 927648155 /nfs/dbraw/zinc/64/81/55/927648155.db2.gz UCEHNNNKKZEMKY-NEPJUHHUSA-N 1 1 256.346 1.933 20 5 CDBDMO CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039107 927651111 /nfs/dbraw/zinc/65/11/11/927651111.db2.gz NBNCSICQZRUVLF-XQQFMLRXSA-N 1 1 254.330 1.875 20 5 CDBDMO CN1CC2(C1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169044655 927657033 /nfs/dbraw/zinc/65/70/33/927657033.db2.gz INCHBZCYXBWOSD-RYUDHWBXSA-N 1 1 253.346 1.069 20 5 CDBDMO C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019059 927660469 /nfs/dbraw/zinc/66/04/69/927660469.db2.gz GNQJTLZKSCWAPS-MQYQWHSLSA-N 1 1 267.373 1.315 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019059 927660471 /nfs/dbraw/zinc/66/04/71/927660471.db2.gz GNQJTLZKSCWAPS-MQYQWHSLSA-N 1 1 267.373 1.315 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC001169022469 927662443 /nfs/dbraw/zinc/66/24/43/927662443.db2.gz BYBCTUAZRMQWAD-MGPQQGTHSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC001169022469 927662450 /nfs/dbraw/zinc/66/24/50/927662450.db2.gz BYBCTUAZRMQWAD-MGPQQGTHSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC001169022469 927662455 /nfs/dbraw/zinc/66/24/55/927662455.db2.gz BYBCTUAZRMQWAD-MGPQQGTHSA-N 1 1 267.373 1.602 20 5 CDBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051960 927669081 /nfs/dbraw/zinc/66/90/81/927669081.db2.gz DRFBSQOGDMWBCP-MCIONIFRSA-N 1 1 297.399 1.668 20 5 CDBDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056327 927671263 /nfs/dbraw/zinc/67/12/63/927671263.db2.gz RVJXZZXNDGCNCA-BNDIWNMDSA-N 1 1 282.340 1.458 20 5 CDBDMO C[N@@H+](Cc1cncnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054254 927671641 /nfs/dbraw/zinc/67/16/41/927671641.db2.gz LIRDDKAGZHTAAV-ZYHUDNBSSA-N 1 1 250.302 1.354 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156648022 928877220 /nfs/dbraw/zinc/87/72/20/928877220.db2.gz OHRKMIAVXKJTHD-NSHDSACASA-N 1 1 258.281 1.899 20 5 CDBDMO Cc1nc(N2CC[C@@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157022092 929109245 /nfs/dbraw/zinc/10/92/45/929109245.db2.gz UGNAVUZPLPVBOO-LLVKDONJSA-N 1 1 279.344 1.612 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880289355 929647243 /nfs/dbraw/zinc/64/72/43/929647243.db2.gz LKMRVEXQYOMSLL-AAEUAGOBSA-N 1 1 298.314 1.626 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000884824113 930637313 /nfs/dbraw/zinc/63/73/13/930637313.db2.gz RRRPUOBFUYENBC-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000886039842 930794993 /nfs/dbraw/zinc/79/49/93/930794993.db2.gz QKYRXCHUVXTPCX-OLZOCXBDSA-N 1 1 277.324 1.991 20 5 CDBDMO C[C@H]1COCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886085871 930801085 /nfs/dbraw/zinc/80/10/85/930801085.db2.gz DQVOWLZBAUTMSC-SNVBAGLBSA-N 1 1 251.286 1.458 20 5 CDBDMO C[C@H]1COCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886085871 930801091 /nfs/dbraw/zinc/80/10/91/930801091.db2.gz DQVOWLZBAUTMSC-SNVBAGLBSA-N 1 1 251.286 1.458 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147301 930815150 /nfs/dbraw/zinc/81/51/50/930815150.db2.gz ORIXQFNMTYVAKX-LBPRGKRZSA-N 1 1 251.286 1.337 20 5 CDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000844778826 931700665 /nfs/dbraw/zinc/70/06/65/931700665.db2.gz ZNKAUADLHKQZPR-ZIAGYGMSSA-N 1 1 297.399 1.813 20 5 CDBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000844778826 931700667 /nfs/dbraw/zinc/70/06/67/931700667.db2.gz ZNKAUADLHKQZPR-ZIAGYGMSSA-N 1 1 297.399 1.813 20 5 CDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000844778826 931700671 /nfs/dbraw/zinc/70/06/71/931700671.db2.gz ZNKAUADLHKQZPR-ZIAGYGMSSA-N 1 1 297.399 1.813 20 5 CDBDMO CC(C)CCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767161 938542717 /nfs/dbraw/zinc/54/27/17/938542717.db2.gz INQAHCQKDDOHNH-VXGBXAGGSA-N 1 1 271.361 1.184 20 5 CDBDMO COc1ccc(NCCn2cc[nH+]c2C)nc1[N+](=O)[O-] ZINC001163916841 939350996 /nfs/dbraw/zinc/35/09/96/939350996.db2.gz QBUBEXGLOCDVSD-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494568 939478895 /nfs/dbraw/zinc/47/88/95/939478895.db2.gz MPNQSFRMEYCVFA-CHWSQXEVSA-N 1 1 297.399 1.718 20 5 CDBDMO CC(C)[N@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C[C@H]1C ZINC001165199045 939522795 /nfs/dbraw/zinc/52/27/95/939522795.db2.gz RFOXASZMYOMIHA-SECBINFHSA-N 1 1 299.762 1.957 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc([N+](=O)[O-])c(C)cn1 ZINC000311840933 941336623 /nfs/dbraw/zinc/33/66/23/941336623.db2.gz MOQPJRJXMCCVHU-UHFFFAOYSA-N 1 1 261.285 1.915 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc(F)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001225382724 941851050 /nfs/dbraw/zinc/85/10/50/941851050.db2.gz QSUYRFRAKJXNGQ-PCTYZZJISA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc(F)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001225382724 941851052 /nfs/dbraw/zinc/85/10/52/941851052.db2.gz QSUYRFRAKJXNGQ-PCTYZZJISA-N 1 1 294.282 1.917 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222598 942152231 /nfs/dbraw/zinc/15/22/31/942152231.db2.gz SGUDKNZNHWZVOE-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692338 942205694 /nfs/dbraw/zinc/20/56/94/942205694.db2.gz XAPCBLIQAVUKPN-VIFPVBQESA-N 1 1 291.311 1.728 20 5 CDBDMO CC(C)[N@@H+]1CC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692338 942205698 /nfs/dbraw/zinc/20/56/98/942205698.db2.gz XAPCBLIQAVUKPN-VIFPVBQESA-N 1 1 291.311 1.728 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692338 942205703 /nfs/dbraw/zinc/20/57/03/942205703.db2.gz XAPCBLIQAVUKPN-VIFPVBQESA-N 1 1 291.311 1.728 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cncc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001227988595 942252162 /nfs/dbraw/zinc/25/21/62/942252162.db2.gz SVNZGTKJVLGZGY-ZEGGKSINSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cncc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001227988595 942252169 /nfs/dbraw/zinc/25/21/69/942252169.db2.gz SVNZGTKJVLGZGY-ZEGGKSINSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229374741 942460648 /nfs/dbraw/zinc/46/06/48/942460648.db2.gz QUQGUZFALLZPDJ-QMMMGPOBSA-N 1 1 290.279 1.327 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233858013 943674730 /nfs/dbraw/zinc/67/47/30/943674730.db2.gz QVCMRWMRPZBCCD-NSHDSACASA-N 1 1 251.286 1.851 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](CO)C1)C2 ZINC001254597886 947546769 /nfs/dbraw/zinc/54/67/69/947546769.db2.gz IRNCDBHGFAWPHX-XHDPSFHLSA-N 1 1 276.336 1.766 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596404 947547080 /nfs/dbraw/zinc/54/70/80/947547080.db2.gz DJDBEOIFICFVTR-OLZOCXBDSA-N 1 1 275.308 1.012 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601244 947549158 /nfs/dbraw/zinc/54/91/58/947549158.db2.gz WNYYDXZJZLUHIL-HUUCEWRRSA-N 1 1 275.352 1.698 20 5 CDBDMO CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@H+](C)C1 ZINC001254601244 947549166 /nfs/dbraw/zinc/54/91/66/947549166.db2.gz WNYYDXZJZLUHIL-HUUCEWRRSA-N 1 1 275.352 1.698 20 5 CDBDMO CN([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC001254601244 947549172 /nfs/dbraw/zinc/54/91/72/947549172.db2.gz WNYYDXZJZLUHIL-HUUCEWRRSA-N 1 1 275.352 1.698 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600865 947550084 /nfs/dbraw/zinc/55/00/84/947550084.db2.gz WLFRNJMHQXJRLS-RISCZKNCSA-N 1 1 289.335 1.259 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCc3ncncc3C1)C2 ZINC001254600963 947551360 /nfs/dbraw/zinc/55/13/60/947551360.db2.gz SUSLGEBVJWKMKZ-HNNXBMFYSA-N 1 1 296.330 1.910 20 5 CDBDMO COC(=O)CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609806 947556145 /nfs/dbraw/zinc/55/61/45/947556145.db2.gz YLUKNDGXKMGQOQ-CYBMUJFWSA-N 1 1 278.308 1.557 20 5 CDBDMO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n[nH]1 ZINC001324444705 953392309 /nfs/dbraw/zinc/39/23/09/953392309.db2.gz XOTHUUDUPWZGIK-UHFFFAOYSA-N 1 1 275.312 1.592 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CC[C@@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001330933451 956712347 /nfs/dbraw/zinc/71/23/47/956712347.db2.gz DJDWYJXFXQFCAW-HZMBPMFUSA-N 1 1 295.314 1.587 20 5 CDBDMO Cc1cc(F)cc(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001319091851 958369996 /nfs/dbraw/zinc/36/99/96/958369996.db2.gz HVMFGIUCVZDYND-UHFFFAOYSA-N 1 1 293.298 1.644 20 5 CDBDMO CN(C)C(=O)OCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001321889541 960006514 /nfs/dbraw/zinc/00/65/14/960006514.db2.gz CPMIQOCLLWHOEI-UHFFFAOYSA-N 1 1 295.339 1.767 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149482 960111677 /nfs/dbraw/zinc/11/16/77/960111677.db2.gz WIGZPQZETOTPAK-AWEZNQCLSA-N 1 1 289.335 1.921 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000601185411 342489215 /nfs/dbraw/zinc/48/92/15/342489215.db2.gz UBDWSFFLVWQIAX-ZJUUUORDSA-N 1 1 280.303 1.517 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601232533 342537688 /nfs/dbraw/zinc/53/76/88/342537688.db2.gz RULLKUIKGYNDBO-UWVGGRQHSA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599201588 343980205 /nfs/dbraw/zinc/98/02/05/343980205.db2.gz GZMKMATWGAUOMP-JTQLQIEISA-N 1 1 285.731 1.727 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601402373 342560061 /nfs/dbraw/zinc/56/00/61/342560061.db2.gz KYBSWKNNSYPFQP-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601402373 342560062 /nfs/dbraw/zinc/56/00/62/342560062.db2.gz KYBSWKNNSYPFQP-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601409958 342560651 /nfs/dbraw/zinc/56/06/51/342560651.db2.gz AVSKFUHNZOFAIU-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO O=[N+]([O-])c1sccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590722025 342583919 /nfs/dbraw/zinc/58/39/19/342583919.db2.gz FPGQIOLQDSMSDB-AOOOYVTPSA-N 1 1 283.353 1.931 20 5 CDBDMO CCOc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000289872646 361866790 /nfs/dbraw/zinc/86/67/90/361866790.db2.gz QVIUKAOASRMAHV-NSHDSACASA-N 1 1 298.339 1.169 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000573417535 361876963 /nfs/dbraw/zinc/87/69/63/361876963.db2.gz WDQLAIHIAPOMFL-OCCSQVGLSA-N 1 1 289.335 1.300 20 5 CDBDMO Cc1ccnc(NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000265249774 361887888 /nfs/dbraw/zinc/88/78/88/361887888.db2.gz QNPZJBYPRYGXRN-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000593673360 342821096 /nfs/dbraw/zinc/82/10/96/342821096.db2.gz GIWXCZSNVAODSP-CHWSQXEVSA-N 1 1 280.324 1.485 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COCCN2)c(Cl)c1 ZINC000600679133 342242031 /nfs/dbraw/zinc/24/20/31/342242031.db2.gz ZTYQCKSHQMAJLX-JTQLQIEISA-N 1 1 285.731 1.326 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420480 342903205 /nfs/dbraw/zinc/90/32/05/342903205.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420480 342903206 /nfs/dbraw/zinc/90/32/06/342903206.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420480 342903207 /nfs/dbraw/zinc/90/32/07/342903207.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 1 1 293.327 1.065 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000595005418 342989560 /nfs/dbraw/zinc/98/95/60/342989560.db2.gz YFXXVLNSGTWDEL-SNVBAGLBSA-N 1 1 295.339 1.779 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000619531675 349793013 /nfs/dbraw/zinc/79/30/13/349793013.db2.gz PXFPUANCGMGABB-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000077995747 342332954 /nfs/dbraw/zinc/33/29/54/342332954.db2.gz XSOYAZCGLUSKKQ-NSHDSACASA-N 1 1 294.355 1.678 20 5 CDBDMO C[C@@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000596155347 343247277 /nfs/dbraw/zinc/24/72/77/343247277.db2.gz IHFPSBBAEXXSQH-BDAKNGLRSA-N 1 1 277.328 1.031 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000596194086 343254120 /nfs/dbraw/zinc/25/41/20/343254120.db2.gz OGSJRZYEMQYPHD-SECBINFHSA-N 1 1 298.730 1.164 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000596194086 343254122 /nfs/dbraw/zinc/25/41/22/343254122.db2.gz OGSJRZYEMQYPHD-SECBINFHSA-N 1 1 298.730 1.164 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000088721124 342387077 /nfs/dbraw/zinc/38/70/77/342387077.db2.gz LBHMKGYITZAGGX-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc1 ZINC000596557289 343342426 /nfs/dbraw/zinc/34/24/26/343342426.db2.gz GHUOBHCVHHIYLC-CYBMUJFWSA-N 1 1 299.334 1.493 20 5 CDBDMO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597700622 343603435 /nfs/dbraw/zinc/60/34/35/343603435.db2.gz OSVRYWDUZDIEGK-ZANVPECISA-N 1 1 293.323 1.465 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598343828 343771538 /nfs/dbraw/zinc/77/15/38/343771538.db2.gz ZQGONWCYOAOFCB-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175688 343965709 /nfs/dbraw/zinc/96/57/09/343965709.db2.gz HYOSRKXILCPKJV-SNVBAGLBSA-N 1 1 269.276 1.212 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000601560907 344191890 /nfs/dbraw/zinc/19/18/90/344191890.db2.gz YWRHAGLKAYYIQB-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000601560907 344191892 /nfs/dbraw/zinc/19/18/92/344191892.db2.gz YWRHAGLKAYYIQB-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO CN1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000265676561 362571538 /nfs/dbraw/zinc/57/15/38/362571538.db2.gz ZNKILCRMMJWWNF-LBPRGKRZSA-N 1 1 293.323 1.136 20 5 CDBDMO CN1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000265676561 362571547 /nfs/dbraw/zinc/57/15/47/362571547.db2.gz ZNKILCRMMJWWNF-LBPRGKRZSA-N 1 1 293.323 1.136 20 5 CDBDMO Cc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000075061553 345607991 /nfs/dbraw/zinc/60/79/91/345607991.db2.gz MGYKHWOKJHPNLD-MNOVXSKESA-N 1 1 279.344 1.310 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000052488270 346443924 /nfs/dbraw/zinc/44/39/24/346443924.db2.gz HYAZRCNXURCFDC-UHFFFAOYSA-N 1 1 295.387 1.885 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)nc1 ZINC000612784449 347282645 /nfs/dbraw/zinc/28/26/45/347282645.db2.gz MDXVYTNVUWKEMC-SNVBAGLBSA-N 1 1 263.301 1.281 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CC2)cc1 ZINC000064516195 347471686 /nfs/dbraw/zinc/47/16/86/347471686.db2.gz JELMJELSHHTPQV-UHFFFAOYSA-N 1 1 250.298 1.799 20 5 CDBDMO O=[N+]([O-])c1sccc1NCC[N@@H+]1CCCOCC1 ZINC000614982643 348292657 /nfs/dbraw/zinc/29/26/57/348292657.db2.gz SYXIHLQZBLUACW-UHFFFAOYSA-N 1 1 271.342 1.791 20 5 CDBDMO O=[N+]([O-])c1sccc1NCC[N@H+]1CCCOCC1 ZINC000614982643 348292660 /nfs/dbraw/zinc/29/26/60/348292660.db2.gz SYXIHLQZBLUACW-UHFFFAOYSA-N 1 1 271.342 1.791 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000615496058 348560926 /nfs/dbraw/zinc/56/09/26/348560926.db2.gz ATZJOMAQCGVEST-DTWKUNHWSA-N 1 1 282.319 1.845 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000068916369 349083567 /nfs/dbraw/zinc/08/35/67/349083567.db2.gz PORGJRYNCWAUOQ-UHFFFAOYSA-N 1 1 267.333 1.249 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749298 362939582 /nfs/dbraw/zinc/93/95/82/362939582.db2.gz HAHWKJHLVJXVIT-JTQLQIEISA-N 1 1 267.333 1.533 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000305734800 350083212 /nfs/dbraw/zinc/08/32/12/350083212.db2.gz OZGOEQKEXOXHGW-MRVPVSSYSA-N 1 1 265.269 1.549 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1OCc1noc(C[NH3+])n1 ZINC000311260788 350661877 /nfs/dbraw/zinc/66/18/77/350661877.db2.gz FYWCVDLKSMBUDY-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454322161 252342322 /nfs/dbraw/zinc/34/23/22/252342322.db2.gz JXWXHZKXUZVFLL-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCOCC1 ZINC000364649159 363084113 /nfs/dbraw/zinc/08/41/13/363084113.db2.gz SOGKPFOBFPBRCI-GFCCVEGCSA-N 1 1 296.323 1.057 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000411905824 363375964 /nfs/dbraw/zinc/37/59/64/363375964.db2.gz CKOZDBJZZAUGFO-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000411905824 363375965 /nfs/dbraw/zinc/37/59/65/363375965.db2.gz CKOZDBJZZAUGFO-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000558990436 356068639 /nfs/dbraw/zinc/06/86/39/356068639.db2.gz YMKWNLAMRDPTQQ-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000558990436 356068645 /nfs/dbraw/zinc/06/86/45/356068645.db2.gz YMKWNLAMRDPTQQ-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508315 356280597 /nfs/dbraw/zinc/28/05/97/356280597.db2.gz HKWHNUURSBUOFY-OLZOCXBDSA-N 1 1 282.344 1.417 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(N)=O ZINC000286484403 356769761 /nfs/dbraw/zinc/76/97/61/356769761.db2.gz OODPVZKZCGKIOY-UHFFFAOYSA-N 1 1 281.312 1.301 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762387 358512200 /nfs/dbraw/zinc/51/22/00/358512200.db2.gz SGIWFBYLEFAQMO-ZWNOBZJWSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762387 358512205 /nfs/dbraw/zinc/51/22/05/358512205.db2.gz SGIWFBYLEFAQMO-ZWNOBZJWSA-N 1 1 293.323 1.297 20 5 CDBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331289421 357337517 /nfs/dbraw/zinc/33/75/17/357337517.db2.gz NYHBPEZXYBPZKS-NTZNESFSSA-N 1 1 282.344 1.273 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000181918007 357390131 /nfs/dbraw/zinc/39/01/31/357390131.db2.gz OPDNXVCNMVTOEO-GFCCVEGCSA-N 1 1 280.324 1.819 20 5 CDBDMO Cc1c(CNC(=O)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000360528686 357416608 /nfs/dbraw/zinc/41/66/08/357416608.db2.gz MRXPZGDKCPUIHN-UHFFFAOYSA-N 1 1 279.340 1.860 20 5 CDBDMO Cc1[nH+]cn(C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182257452 357426593 /nfs/dbraw/zinc/42/65/93/357426593.db2.gz XPBKIKJKAQWGLV-LBPRGKRZSA-N 1 1 291.307 1.848 20 5 CDBDMO C[NH+](C)CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000185081746 357506902 /nfs/dbraw/zinc/50/69/02/357506902.db2.gz ZLDQPIDHOKPINZ-UHFFFAOYSA-N 1 1 295.343 1.170 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000360918070 357749569 /nfs/dbraw/zinc/74/95/69/357749569.db2.gz FLGSRQAKBQZSJI-LBPRGKRZSA-N 1 1 295.387 1.898 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072712342 357892039 /nfs/dbraw/zinc/89/20/39/357892039.db2.gz FKFGRDKKPIXVPZ-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072712342 357892041 /nfs/dbraw/zinc/89/20/41/357892041.db2.gz FKFGRDKKPIXVPZ-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO Cc1cc(C(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000337588962 358090482 /nfs/dbraw/zinc/09/04/82/358090482.db2.gz GJJSGIQAIRQLBQ-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193575749 358304879 /nfs/dbraw/zinc/30/48/79/358304879.db2.gz XRNXNEKTDPDRGP-NOZJJQNGSA-N 1 1 293.323 1.218 20 5 CDBDMO CS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439986 358878094 /nfs/dbraw/zinc/87/80/94/358878094.db2.gz KXDRNRJLIMUHSS-UHFFFAOYSA-N 1 1 292.744 1.382 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000290495092 366530839 /nfs/dbraw/zinc/53/08/39/366530839.db2.gz AGBPAGWHMHNZFB-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000342365458 359024583 /nfs/dbraw/zinc/02/45/83/359024583.db2.gz WCMGTUWOCSRVHG-NXEZZACHSA-N 1 1 292.339 1.588 20 5 CDBDMO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000110048634 359089162 /nfs/dbraw/zinc/08/91/62/359089162.db2.gz WMPZLBTZHRXDPF-LBPRGKRZSA-N 1 1 275.308 1.578 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000110048634 359089169 /nfs/dbraw/zinc/08/91/69/359089169.db2.gz WMPZLBTZHRXDPF-LBPRGKRZSA-N 1 1 275.308 1.578 20 5 CDBDMO CC1(C)CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302544779 359163812 /nfs/dbraw/zinc/16/38/12/359163812.db2.gz OSFDNEUFVQUBPV-UHFFFAOYSA-N 1 1 279.340 1.488 20 5 CDBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702144 359431341 /nfs/dbraw/zinc/43/13/41/359431341.db2.gz RYEOIBPYKSGOQH-CQSZACIVSA-N 1 1 296.371 1.522 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000296869668 200021235 /nfs/dbraw/zinc/02/12/35/200021235.db2.gz WAMQKCPUWUCMSC-UHFFFAOYSA-N 1 1 263.301 1.367 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177210032 189036695 /nfs/dbraw/zinc/03/66/95/189036695.db2.gz FXMVRJNPCCZYJH-ZDUSSCGKSA-N 1 1 277.280 1.693 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177210032 189036696 /nfs/dbraw/zinc/03/66/96/189036696.db2.gz FXMVRJNPCCZYJH-ZDUSSCGKSA-N 1 1 277.280 1.693 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294129 364628369 /nfs/dbraw/zinc/62/83/69/364628369.db2.gz ZXTAGFUTIVEWGF-GZMMTYOYSA-N 1 1 278.312 1.135 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000290210384 364818922 /nfs/dbraw/zinc/81/89/22/364818922.db2.gz VBBBBALMSNQZGG-RYUDHWBXSA-N 1 1 286.715 1.752 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCOCC2)cs1 ZINC000275671633 193101825 /nfs/dbraw/zinc/10/18/25/193101825.db2.gz ZBOUDXBEHGBUTQ-UHFFFAOYSA-N 1 1 286.353 1.630 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597983 366909481 /nfs/dbraw/zinc/90/94/81/366909481.db2.gz VNFZSEOHKXXIPA-RYUDHWBXSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597983 366909484 /nfs/dbraw/zinc/90/94/84/366909484.db2.gz VNFZSEOHKXXIPA-RYUDHWBXSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944243 366947705 /nfs/dbraw/zinc/94/77/05/366947705.db2.gz RXUNTRXKNSYZPN-HONMWMINSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076116324 366984355 /nfs/dbraw/zinc/98/43/55/366984355.db2.gz LGXRBMMZYXGHFR-YPMHNXCESA-N 1 1 280.324 1.819 20 5 CDBDMO COc1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000444035374 367153390 /nfs/dbraw/zinc/15/33/90/367153390.db2.gz VTZFITZFFZLTBU-UHFFFAOYSA-N 1 1 293.323 1.427 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000330669016 203097818 /nfs/dbraw/zinc/09/78/18/203097818.db2.gz KHKTWPWSYUZZSK-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000330669016 203097822 /nfs/dbraw/zinc/09/78/22/203097822.db2.gz KHKTWPWSYUZZSK-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330703037 203134293 /nfs/dbraw/zinc/13/42/93/203134293.db2.gz PJLNUIHVIAYVDW-JTQLQIEISA-N 1 1 280.328 1.527 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913973 372031922 /nfs/dbraw/zinc/03/19/22/372031922.db2.gz KAGXDJLBKGLQLS-MRVPVSSYSA-N 1 1 269.326 1.338 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451655 372833717 /nfs/dbraw/zinc/83/37/17/372833717.db2.gz XKHSZVZIRMUYSM-OLZOCXBDSA-N 1 1 293.367 1.795 20 5 CDBDMO CC[N@@H+](CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266559288 373979043 /nfs/dbraw/zinc/97/90/43/373979043.db2.gz MOPJIWVAZVYHNE-CYBMUJFWSA-N 1 1 298.339 1.039 20 5 CDBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000370386600 374392140 /nfs/dbraw/zinc/39/21/40/374392140.db2.gz IVCABRLYLDITEP-OLZOCXBDSA-N 1 1 294.351 1.646 20 5 CDBDMO Cc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530187 374387648 /nfs/dbraw/zinc/38/76/48/374387648.db2.gz WONOWGGOUKSVDD-AAEUAGOBSA-N 1 1 279.340 1.542 20 5 CDBDMO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274689771 374680534 /nfs/dbraw/zinc/68/05/34/374680534.db2.gz ZVBHBPNQXQWSFL-UHFFFAOYSA-N 1 1 293.323 1.467 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274689771 374680538 /nfs/dbraw/zinc/68/05/38/374680538.db2.gz ZVBHBPNQXQWSFL-UHFFFAOYSA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670931 374801916 /nfs/dbraw/zinc/80/19/16/374801916.db2.gz PSKFJXFEVNBTCY-NSHDSACASA-N 1 1 295.343 1.298 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449384667 374803732 /nfs/dbraw/zinc/80/37/32/374803732.db2.gz CFYKRLQSKRZCSZ-HNNXBMFYSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449384667 374803740 /nfs/dbraw/zinc/80/37/40/374803740.db2.gz CFYKRLQSKRZCSZ-HNNXBMFYSA-N 1 1 293.367 1.531 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@]1(C)CCCO ZINC000332668139 375042473 /nfs/dbraw/zinc/04/24/73/375042473.db2.gz QAOWJIARNCGJRH-CYBMUJFWSA-N 1 1 282.344 1.455 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268640 375069425 /nfs/dbraw/zinc/06/94/25/375069425.db2.gz NKCPEVLMQRPOHR-HNNXBMFYSA-N 1 1 289.335 1.763 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000284189506 375131327 /nfs/dbraw/zinc/13/13/27/375131327.db2.gz KMORFRBWOAAJLH-LLVKDONJSA-N 1 1 265.313 1.631 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735600 375358122 /nfs/dbraw/zinc/35/81/22/375358122.db2.gz XDOGRZWAADFJEE-LLVKDONJSA-N 1 1 294.355 1.773 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078941 375664755 /nfs/dbraw/zinc/66/47/55/375664755.db2.gz JNHHNYRMLQJQNT-CQSZACIVSA-N 1 1 292.339 1.481 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000354423220 375707761 /nfs/dbraw/zinc/70/77/61/375707761.db2.gz IGLLLUCMSPBQHK-GHMZBOCLSA-N 1 1 294.355 1.868 20 5 CDBDMO COc1cc(OC[C@@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357455261 375911049 /nfs/dbraw/zinc/91/10/49/375911049.db2.gz PWQSTUJDEZIVAK-NSHDSACASA-N 1 1 296.323 1.437 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000356880191 375866446 /nfs/dbraw/zinc/86/64/46/375866446.db2.gz NVSJGWNMYCLSJT-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000356880191 375866453 /nfs/dbraw/zinc/86/64/53/375866453.db2.gz NVSJGWNMYCLSJT-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO COCC[N@@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347376217 376056986 /nfs/dbraw/zinc/05/69/86/376056986.db2.gz ZYNVXWKDAYYVET-RAXLEYEMSA-N 1 1 294.351 1.939 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000171137990 376217189 /nfs/dbraw/zinc/21/71/89/376217189.db2.gz LNWIMJXXERVKDK-UHFFFAOYSA-N 1 1 271.342 1.726 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372666 376297580 /nfs/dbraw/zinc/29/75/80/376297580.db2.gz BPDWVVPHNSXPMY-VXGBXAGGSA-N 1 1 298.339 1.037 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171193668 376398864 /nfs/dbraw/zinc/39/88/64/376398864.db2.gz LCZCQGRBMJHERL-CYBMUJFWSA-N 1 1 292.339 1.488 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000266940275 378874717 /nfs/dbraw/zinc/87/47/17/378874717.db2.gz PRKXKWVJMFOCCQ-GHMZBOCLSA-N 1 1 252.318 1.912 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)C3CCC3)nc2c1 ZINC000444682081 250165672 /nfs/dbraw/zinc/16/56/72/250165672.db2.gz YOKMEXJOHGDPGL-UHFFFAOYSA-N 1 1 290.323 1.818 20 5 CDBDMO CC1(C)CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446060548 250260475 /nfs/dbraw/zinc/26/04/75/250260475.db2.gz MSDOKALAOJISSF-ZDUSSCGKSA-N 1 1 296.371 1.664 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174846838 379592546 /nfs/dbraw/zinc/59/25/46/379592546.db2.gz JFJFPVZDBVLMNB-SECBINFHSA-N 1 1 256.331 1.229 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CO)C1 ZINC000174702801 379556305 /nfs/dbraw/zinc/55/63/05/379556305.db2.gz WPRZKCQWRIKHNV-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CO)C1 ZINC000174702801 379556311 /nfs/dbraw/zinc/55/63/11/379556311.db2.gz WPRZKCQWRIKHNV-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212344 379660853 /nfs/dbraw/zinc/66/08/53/379660853.db2.gz RESYSBZMWJZAFN-GFCCVEGCSA-N 1 1 291.351 1.991 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCC1 ZINC000007786238 260028084 /nfs/dbraw/zinc/02/80/84/260028084.db2.gz RSRXPTPBDSEHAL-UHFFFAOYSA-N 1 1 263.297 1.938 20 5 CDBDMO C[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000134782735 390213689 /nfs/dbraw/zinc/21/36/89/390213689.db2.gz YCTSSFVDQLXFKH-NXEZZACHSA-N 1 1 250.302 1.884 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000281632132 195315858 /nfs/dbraw/zinc/31/58/58/195315858.db2.gz IJMISLUKHYVSLH-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948674 390578967 /nfs/dbraw/zinc/57/89/67/390578967.db2.gz HDVYWCKTIDKODG-SNVBAGLBSA-N 1 1 267.333 1.247 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452047324 390663670 /nfs/dbraw/zinc/66/36/70/390663670.db2.gz ZSYGHAGJKAUNEE-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451156929 390603316 /nfs/dbraw/zinc/60/33/16/390603316.db2.gz UHIFQCWAIAPCOJ-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808299 390867967 /nfs/dbraw/zinc/86/79/67/390867967.db2.gz ZFZCDIWLXMULEX-JQWIXIFHSA-N 1 1 289.335 1.682 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])C1CC1 ZINC000423312563 390825648 /nfs/dbraw/zinc/82/56/48/390825648.db2.gz DLLYWBDPEGEFOZ-MFKMUULPSA-N 1 1 263.341 1.853 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)C1CC1 ZINC000423312563 390825650 /nfs/dbraw/zinc/82/56/50/390825650.db2.gz DLLYWBDPEGEFOZ-MFKMUULPSA-N 1 1 263.341 1.853 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000451943316 390951930 /nfs/dbraw/zinc/95/19/30/390951930.db2.gz IVFYXBZKTXMSHW-TZMCWYRMSA-N 1 1 296.323 1.497 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000452096677 391018996 /nfs/dbraw/zinc/01/89/96/391018996.db2.gz YMDMQZLTCSDYCW-LLVKDONJSA-N 1 1 282.344 1.577 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(O)C1 ZINC000248358957 391195040 /nfs/dbraw/zinc/19/50/40/391195040.db2.gz RKEIQSYTUZTZQL-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(O)C1 ZINC000248358957 391195041 /nfs/dbraw/zinc/19/50/41/391195041.db2.gz RKEIQSYTUZTZQL-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1ccc(OC[C@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780865 391378474 /nfs/dbraw/zinc/37/84/74/391378474.db2.gz MYVXNZQMGAULTL-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875177 130100790 /nfs/dbraw/zinc/10/07/90/130100790.db2.gz JIMSWXFKZKXBHO-CMPLNLGQSA-N 1 1 277.324 1.409 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984807 130209197 /nfs/dbraw/zinc/20/91/97/130209197.db2.gz MBRKAJNZASDSIT-GXFFZTMASA-N 1 1 277.324 1.409 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773185 392214093 /nfs/dbraw/zinc/21/40/93/392214093.db2.gz XMKIIXXUUAKWCO-GHMZBOCLSA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)O ZINC000245926928 131090537 /nfs/dbraw/zinc/09/05/37/131090537.db2.gz XONMFDZPLFEGBU-VHSXEESVSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](C)O ZINC000245926928 131090538 /nfs/dbraw/zinc/09/05/38/131090538.db2.gz XONMFDZPLFEGBU-VHSXEESVSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717185 392722301 /nfs/dbraw/zinc/72/23/01/392722301.db2.gz KUIZWLDHNFPYGW-VXGBXAGGSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425049180 392986359 /nfs/dbraw/zinc/98/63/59/392986359.db2.gz OZQSAVFTJXKQLN-SMDDNHRTSA-N 1 1 289.335 1.761 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000426212285 393040157 /nfs/dbraw/zinc/04/01/57/393040157.db2.gz YGMVWMKQXFANRA-GFCCVEGCSA-N 1 1 280.324 1.820 20 5 CDBDMO CO[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000449570385 393136060 /nfs/dbraw/zinc/13/60/60/393136060.db2.gz HNWSERUAGGFETF-GNXSNYGWSA-N 1 1 278.308 1.300 20 5 CDBDMO CO[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000449570385 393136065 /nfs/dbraw/zinc/13/60/65/393136065.db2.gz HNWSERUAGGFETF-GNXSNYGWSA-N 1 1 278.308 1.300 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)CCCOC ZINC000192625026 140142898 /nfs/dbraw/zinc/14/28/98/140142898.db2.gz YOFLUFAKGXNENQ-UHFFFAOYSA-N 1 1 299.375 1.500 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042632 149305722 /nfs/dbraw/zinc/30/57/22/149305722.db2.gz UZLANUKDHZTOFN-WCBMZHEXSA-N 1 1 283.353 1.869 20 5 CDBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734619 156049097 /nfs/dbraw/zinc/04/90/97/156049097.db2.gz AGUCDJZEABINFU-HNNXBMFYSA-N 1 1 289.335 1.697 20 5 CDBDMO COc1c(C(=O)NC[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000356101890 157354778 /nfs/dbraw/zinc/35/47/78/157354778.db2.gz VHIBPTGZJXNFLI-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372453225 160122422 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CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273227359 414073279 /nfs/dbraw/zinc/07/32/79/414073279.db2.gz WFCKVTDCLIRVGT-LLVKDONJSA-N 1 1 279.344 1.553 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000266466415 274032130 /nfs/dbraw/zinc/03/21/30/274032130.db2.gz ZKPSUQRFMIGKIE-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000266466415 274032131 /nfs/dbraw/zinc/03/21/31/274032131.db2.gz ZKPSUQRFMIGKIE-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702091 274055580 /nfs/dbraw/zinc/05/55/80/274055580.db2.gz OKJQXCSXTCNHTB-QWRGUYRKSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702091 274055581 /nfs/dbraw/zinc/05/55/81/274055581.db2.gz OKJQXCSXTCNHTB-QWRGUYRKSA-N 1 1 295.339 1.889 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067902 274364729 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20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000571032657 294354250 /nfs/dbraw/zinc/35/42/50/294354250.db2.gz ZIMVBIIQYQGHKQ-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@@H+](C)C(C)C)n2)n1C ZINC000350924942 316221222 /nfs/dbraw/zinc/22/12/22/316221222.db2.gz JFLCMMDAVLYUIM-UHFFFAOYSA-N 1 1 294.315 1.527 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@H+](C)C(C)C)n2)n1C ZINC000350924942 316221225 /nfs/dbraw/zinc/22/12/25/316221225.db2.gz JFLCMMDAVLYUIM-UHFFFAOYSA-N 1 1 294.315 1.527 20 5 CDBDMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000563809982 316374775 /nfs/dbraw/zinc/37/47/75/316374775.db2.gz DXZBNPALBKUDFH-UHFFFAOYSA-N 1 1 266.232 1.101 20 5 CDBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C[NH3+])no1 ZINC000575867287 317029026 /nfs/dbraw/zinc/02/90/26/317029026.db2.gz IDSRAJONPFCPDJ-ZETCQYMHSA-N 1 1 295.303 1.042 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357135 522398266 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/nfs/dbraw/zinc/58/62/17/576586217.db2.gz SCTPKYCEGVUGBR-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742195785 576586219 /nfs/dbraw/zinc/58/62/19/576586219.db2.gz SCTPKYCEGVUGBR-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694340 576958364 /nfs/dbraw/zinc/95/83/64/576958364.db2.gz VYDGFMHPHFPFGG-IUODEOHRSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892732141 617671957 /nfs/dbraw/zinc/67/19/57/617671957.db2.gz UWEDBPISXZOXIB-JTQLQIEISA-N 1 1 267.333 1.106 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000893938838 618201466 /nfs/dbraw/zinc/20/14/66/618201466.db2.gz GNEKWRSQGIDKKL-JGVFFNPUSA-N 1 1 254.315 1.192 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832188352 618640081 /nfs/dbraw/zinc/64/00/81/618640081.db2.gz YQBWXVYATQARSI-NSHDSACASA-N 1 1 273.377 1.667 20 5 CDBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555419 619364290 /nfs/dbraw/zinc/36/42/90/619364290.db2.gz JQGMKWNNGHNLNJ-GXFFZTMASA-N 1 1 277.324 1.519 20 5 CDBDMO CC1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cn2)CC1 ZINC000905050050 626386356 /nfs/dbraw/zinc/38/63/56/626386356.db2.gz MGJVMFNYAGBXAE-UHFFFAOYSA-N 1 1 278.356 1.684 20 5 CDBDMO C[C@@H]1C[C@H](NCC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905162429 626673428 /nfs/dbraw/zinc/67/34/28/626673428.db2.gz ZLWUAUDBVCJMFP-OCCSQVGLSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1 ZINC000905162429 626673430 /nfs/dbraw/zinc/67/34/30/626673430.db2.gz ZLWUAUDBVCJMFP-OCCSQVGLSA-N 1 1 263.341 1.516 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329522 1162338333 /nfs/dbraw/zinc/33/83/33/1162338333.db2.gz QJZDAFPKUFNMCF-LLVKDONJSA-N 1 1 294.351 1.849 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298786 1160257142 /nfs/dbraw/zinc/25/71/42/1160257142.db2.gz FDCKSTXBULTNGR-SECBINFHSA-N 1 1 265.317 1.468 20 5 CDBDMO C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1(C)C ZINC000865914664 1164709523 /nfs/dbraw/zinc/70/95/23/1164709523.db2.gz SHVYZMIIPCRQKA-UHFFFAOYSA-N 1 1 289.339 1.773 20 5 CDBDMO Cc1c(CNC(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000922168666 735388500 /nfs/dbraw/zinc/38/85/00/735388500.db2.gz UPNBQULHWDFNIX-GFCCVEGCSA-N 1 1 292.339 1.407 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204938 735461083 /nfs/dbraw/zinc/46/10/83/735461083.db2.gz GOGQGUKKFOJYNP-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204938 735461087 /nfs/dbraw/zinc/46/10/87/735461087.db2.gz GOGQGUKKFOJYNP-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000110732592 735471316 /nfs/dbraw/zinc/47/13/16/735471316.db2.gz TXAHYPXQQVKRNN-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000110732592 735471320 /nfs/dbraw/zinc/47/13/20/735471320.db2.gz TXAHYPXQQVKRNN-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882479237 736243631 /nfs/dbraw/zinc/24/36/31/736243631.db2.gz QRCFNXFFFPHFSB-LBPRGKRZSA-N 1 1 263.297 1.419 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782637100 736339922 /nfs/dbraw/zinc/33/99/22/736339922.db2.gz ZUDGSZRUICEEPA-GYSYKLTISA-N 1 1 262.309 1.970 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CCCCO)CC1 ZINC000804502641 733298951 /nfs/dbraw/zinc/29/89/51/733298951.db2.gz WWSUQIVOLNFRJG-UHFFFAOYSA-N 1 1 297.330 1.628 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000782577343 733328337 /nfs/dbraw/zinc/32/83/37/733328337.db2.gz AVQITMPKROCQMQ-KBPBESRZSA-N 1 1 294.351 1.721 20 5 CDBDMO COC(=O)N[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000886863554 733462246 /nfs/dbraw/zinc/46/22/46/733462246.db2.gz JYNZXGJPFDSNMF-LBPRGKRZSA-N 1 1 293.323 1.834 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000886863554 733462247 /nfs/dbraw/zinc/46/22/47/733462247.db2.gz JYNZXGJPFDSNMF-LBPRGKRZSA-N 1 1 293.323 1.834 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793391240 733972781 /nfs/dbraw/zinc/97/27/81/733972781.db2.gz TXXNDFRSAKJYEU-ZDUSSCGKSA-N 1 1 297.742 1.946 20 5 CDBDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054218 734022374 /nfs/dbraw/zinc/02/23/74/734022374.db2.gz YSLYYYOWNITHDJ-VXGBXAGGSA-N 1 1 271.361 1.280 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3COCCO3)c2c1 ZINC000865455760 734113465 /nfs/dbraw/zinc/11/34/65/734113465.db2.gz BDUDXYHMKPLFRR-NSHDSACASA-N 1 1 289.291 1.392 20 5 CDBDMO CC[C@](C)(O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930248022 734352429 /nfs/dbraw/zinc/35/24/29/734352429.db2.gz HEIKSPJTAKEFAE-AWEZNQCLSA-N 1 1 266.341 1.926 20 5 CDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000826086460 734399771 /nfs/dbraw/zinc/39/97/71/734399771.db2.gz VFCYGDYNOQKOJO-LLVKDONJSA-N 1 1 271.361 1.375 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880289356 734452239 /nfs/dbraw/zinc/45/22/39/734452239.db2.gz LKMRVEXQYOMSLL-DGCLKSJQSA-N 1 1 298.314 1.626 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669515 734598204 /nfs/dbraw/zinc/59/82/04/734598204.db2.gz ZMAUYAPTTDDAES-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000111347629 734611625 /nfs/dbraw/zinc/61/16/25/734611625.db2.gz VMWHZUDTJYIYKG-UHFFFAOYSA-N 1 1 278.268 1.381 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247007472 734644606 /nfs/dbraw/zinc/64/46/06/734644606.db2.gz LAFFVKWNMGTAKJ-WCQYABFASA-N 1 1 279.344 1.165 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000931651070 734675803 /nfs/dbraw/zinc/67/58/03/734675803.db2.gz DSCWMPJIBSBMST-NSHDSACASA-N 1 1 281.287 1.348 20 5 CDBDMO CC(C)(CCC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC000835395507 734792466 /nfs/dbraw/zinc/79/24/66/734792466.db2.gz GMVJDBKLDLOMTD-RYUDHWBXSA-N 1 1 284.356 1.992 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061380255 734814444 /nfs/dbraw/zinc/81/44/44/734814444.db2.gz MIUHMVIBIUZKKK-UHFFFAOYSA-N 1 1 299.302 1.042 20 5 CDBDMO C[N@H+]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272498 734866367 /nfs/dbraw/zinc/86/63/67/734866367.db2.gz UNMCHVRATOLDFI-CQSZACIVSA-N 1 1 279.340 1.266 20 5 CDBDMO CN1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272498 734866371 /nfs/dbraw/zinc/86/63/71/734866371.db2.gz UNMCHVRATOLDFI-CQSZACIVSA-N 1 1 279.340 1.266 20 5 CDBDMO CN1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272498 734866373 /nfs/dbraw/zinc/86/63/73/734866373.db2.gz UNMCHVRATOLDFI-CQSZACIVSA-N 1 1 279.340 1.266 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000882488015 734983520 /nfs/dbraw/zinc/98/35/20/734983520.db2.gz NESQIBQVJIBXKW-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886916300 735020520 /nfs/dbraw/zinc/02/05/20/735020520.db2.gz RRUZYABVBKZWKO-MNOVXSKESA-N 1 1 299.327 1.422 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000929603328 735032297 /nfs/dbraw/zinc/03/22/97/735032297.db2.gz MCMDPQWPYIPMBJ-CQSZACIVSA-N 1 1 282.315 1.848 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311277 735644727 /nfs/dbraw/zinc/64/47/27/735644727.db2.gz RYYBTUXDNMYCSK-LLVKDONJSA-N 1 1 263.297 1.209 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000893907005 736070859 /nfs/dbraw/zinc/07/08/59/736070859.db2.gz GIGUXBPQZPTNKV-GXSJLCMTSA-N 1 1 296.323 1.512 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839637344 736095565 /nfs/dbraw/zinc/09/55/65/736095565.db2.gz XIIUPNBTZIBIJW-LLVKDONJSA-N 1 1 295.314 1.644 20 5 CDBDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930541916 736333047 /nfs/dbraw/zinc/33/30/47/736333047.db2.gz PKUBTKKGSGOZKO-CQSZACIVSA-N 1 1 278.308 1.080 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(O)C1 ZINC001173228952 912320590 /nfs/dbraw/zinc/32/05/90/912320590.db2.gz OIUTXAVIKDYLSV-SNVBAGLBSA-N 1 1 250.298 1.592 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C1CC1 ZINC000690250485 913877814 /nfs/dbraw/zinc/87/78/14/913877814.db2.gz ULGLOIQNACNCKG-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO O=C(NCC[NH2+]C/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942759 909995013 /nfs/dbraw/zinc/99/50/13/909995013.db2.gz GQBPZXBNULOYEJ-ALCJFRFOSA-N 1 1 289.335 1.071 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000840123106 936939197 /nfs/dbraw/zinc/93/91/97/936939197.db2.gz FZSPTXOJGDCJHA-NXEZZACHSA-N 1 1 254.290 1.106 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000840123106 936939198 /nfs/dbraw/zinc/93/91/98/936939198.db2.gz FZSPTXOJGDCJHA-NXEZZACHSA-N 1 1 254.290 1.106 20 5 CDBDMO CN1CCC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168966184 927589420 /nfs/dbraw/zinc/58/94/20/927589420.db2.gz GXUFKIIWYPIUSX-XQQFMLRXSA-N 1 1 255.362 1.363 20 5 CDBDMO COC(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974530 927596707 /nfs/dbraw/zinc/59/67/07/927596707.db2.gz RIHMJJCZDWQVKG-DCAQKATOSA-N 1 1 290.385 1.316 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)CO3)C1 ZINC001169035176 927644932 /nfs/dbraw/zinc/64/49/32/927644932.db2.gz BBXPRNZFASLMBL-ZJUUUORDSA-N 1 1 276.283 1.542 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCn3cncc3C2)C1 ZINC001169037484 927646259 /nfs/dbraw/zinc/64/62/59/927646259.db2.gz RYJJQJCPHQFXMA-QWRGUYRKSA-N 1 1 250.302 1.144 20 5 CDBDMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038564 927650942 /nfs/dbraw/zinc/65/09/42/927650942.db2.gz ZRINBFCLTBESJP-AGIUHOORSA-N 1 1 284.356 1.849 20 5 CDBDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040431 927653368 /nfs/dbraw/zinc/65/33/68/927653368.db2.gz ZVMJSDDKBNGBBG-HPCHECBXSA-N 1 1 296.367 1.705 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040086 927653975 /nfs/dbraw/zinc/65/39/75/927653975.db2.gz XSMNURVRLUWRBK-CYDGBPFRSA-N 1 1 254.330 1.400 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000779868333 934754641 /nfs/dbraw/zinc/75/46/41/934754641.db2.gz XOSSJRMOPUQAEP-LLVKDONJSA-N 1 1 290.327 1.280 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000779868333 934754642 /nfs/dbraw/zinc/75/46/42/934754642.db2.gz XOSSJRMOPUQAEP-LLVKDONJSA-N 1 1 290.327 1.280 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])ccn1 ZINC001156974348 938441652 /nfs/dbraw/zinc/44/16/52/938441652.db2.gz JCCKLSFKLHEYSF-UHFFFAOYSA-N 1 1 259.269 1.888 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N[C@H]2COC(=O)C2)ncc1[N+](=O)[O-] ZINC001158249186 938599958 /nfs/dbraw/zinc/59/99/58/938599958.db2.gz YLTPNGAGPFQTAF-HMDXOVGESA-N 1 1 292.295 1.250 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158561447 938637282 /nfs/dbraw/zinc/63/72/82/938637282.db2.gz FESMXSVJTQRIQL-UHFFFAOYSA-N 1 1 279.344 1.493 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])n1 ZINC001159783375 938752574 /nfs/dbraw/zinc/75/25/74/938752574.db2.gz CILMAKFEIZVJBU-SECBINFHSA-N 1 1 253.306 1.042 20 5 CDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001160472570 938789662 /nfs/dbraw/zinc/78/96/62/938789662.db2.gz IPWNFBNZJHBGCI-RTCCRHLQSA-N 1 1 291.355 1.999 20 5 CDBDMO [NH3+][C@H]1CN(c2cccc([N+](=O)[O-])n2)CCC1(F)F ZINC001164319246 939454665 /nfs/dbraw/zinc/45/46/65/939454665.db2.gz BMYYRFRJZGMLIP-ZETCQYMHSA-N 1 1 258.228 1.163 20 5 CDBDMO CCc1nc2c(c(O[C@@H](C[N+](=O)[O-])C3CC3)n1)C[NH2+]C2 ZINC001218328385 941053999 /nfs/dbraw/zinc/05/39/99/941053999.db2.gz KGABSVSJKNFLOR-NSHDSACASA-N 1 1 278.312 1.076 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](OCc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001222769511 941633402 /nfs/dbraw/zinc/63/34/02/941633402.db2.gz UZAXWZLNOILXDQ-NWANDNLSSA-N 1 1 290.319 1.916 20 5 CDBDMO COc1ccc(CO[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223513808 941683108 /nfs/dbraw/zinc/68/31/08/941683108.db2.gz IRYCMZJIFFNVIY-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])cn1 ZINC001226735500 942059713 /nfs/dbraw/zinc/05/97/13/942059713.db2.gz SIWQMKMZLVDKQK-PEGIJTEDSA-N 1 1 278.312 1.494 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226757129 942064288 /nfs/dbraw/zinc/06/42/88/942064288.db2.gz VVNVEKSIAKSDTO-VIFPVBQESA-N 1 1 255.249 1.602 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692770 942204846 /nfs/dbraw/zinc/20/48/46/942204846.db2.gz CNSJMLJBGLEDSX-SECBINFHSA-N 1 1 291.311 1.729 20 5 CDBDMO Cc1cc2[nH]c(O[C@@H]3CC[N@H+](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672483 942354488 /nfs/dbraw/zinc/35/44/88/942354488.db2.gz VXCLEJYJYNAMSW-SECBINFHSA-N 1 1 276.296 1.862 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ncco1)C2 ZINC001254564878 947528703 /nfs/dbraw/zinc/52/87/03/947528703.db2.gz BHSZZNXTMAHNMW-LLVKDONJSA-N 1 1 259.265 1.840 20 5 CDBDMO CN(C)C(=O)C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601249 947549334 /nfs/dbraw/zinc/54/93/34/947549334.db2.gz WQJTZIMNAAPSBR-ZDUSSCGKSA-N 1 1 277.324 1.082 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601249 947549340 /nfs/dbraw/zinc/54/93/40/947549340.db2.gz WQJTZIMNAAPSBR-ZDUSSCGKSA-N 1 1 277.324 1.082 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCOCC13CC3)C2 ZINC001254606865 947552770 /nfs/dbraw/zinc/55/27/70/947552770.db2.gz ISRIZMJGYGDAMJ-AWEZNQCLSA-N 1 1 274.320 1.927 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCOCC13CC3)C2 ZINC001254606865 947552776 /nfs/dbraw/zinc/55/27/76/947552776.db2.gz ISRIZMJGYGDAMJ-AWEZNQCLSA-N 1 1 274.320 1.927 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)NC1 ZINC001246106477 947957543 /nfs/dbraw/zinc/95/75/43/947957543.db2.gz QCYJPAKSNRCRQV-FDYHWXHSSA-N 1 1 255.362 1.410 20 5 CDBDMO C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC001303573152 956100463 /nfs/dbraw/zinc/10/04/63/956100463.db2.gz DZYXWMLLVQUPGB-UHFFFAOYSA-N 1 1 289.295 1.388 20 5 CDBDMO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC001303573152 956100471 /nfs/dbraw/zinc/10/04/71/956100471.db2.gz DZYXWMLLVQUPGB-UHFFFAOYSA-N 1 1 289.295 1.388 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1c([N+](=O)[O-])cnn1C ZINC001333706196 958529384 /nfs/dbraw/zinc/52/93/84/958529384.db2.gz FFJDHFXRJIXLSQ-UHFFFAOYSA-N 1 1 278.316 1.726 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1-c1nnc(C[NH+](C)C)o1 ZINC001322583267 960265780 /nfs/dbraw/zinc/26/57/80/960265780.db2.gz NVJRIGRBRNNYFF-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1csc([N+](=O)[O-])c1 ZINC001323183933 960515079 /nfs/dbraw/zinc/51/50/79/960515079.db2.gz ZNCAAEOPZGXNIL-UHFFFAOYSA-N 1 1 267.310 1.258 20 5 CDBDMO Nc1cc(N2CCC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001339560640 962422839 /nfs/dbraw/zinc/42/28/39/962422839.db2.gz ZTYXOWYAUVMTMX-JTQLQIEISA-N 1 1 277.328 1.247 20 5 CDBDMO O=C1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1 ZINC000601177138 342487183 /nfs/dbraw/zinc/48/71/83/342487183.db2.gz UUQRGDPBVLUCLH-SECBINFHSA-N 1 1 286.291 1.113 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601186922 342489435 /nfs/dbraw/zinc/48/94/35/342489435.db2.gz GUUAXFKALUIART-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611528967 346813909 /nfs/dbraw/zinc/81/39/09/346813909.db2.gz JEIUBPMLBLANHN-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611528967 346813912 /nfs/dbraw/zinc/81/39/12/346813912.db2.gz JEIUBPMLBLANHN-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000124816101 187155347 /nfs/dbraw/zinc/15/53/47/187155347.db2.gz BETUSRKTNGJGRW-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591039644 342614136 /nfs/dbraw/zinc/61/41/36/342614136.db2.gz ZPLMBZNXICVFAJ-ZWNOBZJWSA-N 1 1 293.323 1.379 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593061493 342761085 /nfs/dbraw/zinc/76/10/85/342761085.db2.gz CEVHLPLXADNQRV-ZYHUDNBSSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000593061493 342761086 /nfs/dbraw/zinc/76/10/86/342761086.db2.gz CEVHLPLXADNQRV-ZYHUDNBSSA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917404 342851219 /nfs/dbraw/zinc/85/12/19/342851219.db2.gz VQEQSJOAICKLNV-PSASIEDQSA-N 1 1 295.343 1.216 20 5 CDBDMO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000594640919 342939266 /nfs/dbraw/zinc/93/92/66/342939266.db2.gz SCESOBUQPMYFLG-UHFFFAOYSA-N 1 1 273.296 1.771 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595472583 343073446 /nfs/dbraw/zinc/07/34/46/343073446.db2.gz NHWSWWUCXHUUKS-WPRPVWTQSA-N 1 1 269.301 1.891 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595472583 343073448 /nfs/dbraw/zinc/07/34/48/343073448.db2.gz NHWSWWUCXHUUKS-WPRPVWTQSA-N 1 1 269.301 1.891 20 5 CDBDMO CC[N@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000595536714 343092302 /nfs/dbraw/zinc/09/23/02/343092302.db2.gz TYYFTBJMPNWPAA-LBPRGKRZSA-N 1 1 281.360 1.207 20 5 CDBDMO Cc1noc(C[NH2+]C2(CO)CCSCC2)c1[N+](=O)[O-] ZINC000595539661 343092863 /nfs/dbraw/zinc/09/28/63/343092863.db2.gz OPNNGBOPCSKCQP-UHFFFAOYSA-N 1 1 287.341 1.239 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000078403977 342336728 /nfs/dbraw/zinc/33/67/28/342336728.db2.gz POVKZTUFOUAOKU-GFCCVEGCSA-N 1 1 292.339 1.148 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697453 343125085 /nfs/dbraw/zinc/12/50/85/343125085.db2.gz LISWWRLKZFGVPN-AAEUAGOBSA-N 1 1 282.344 1.274 20 5 CDBDMO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595813294 343161881 /nfs/dbraw/zinc/16/18/81/343161881.db2.gz ZXVSENJKGPFQDL-QWRGUYRKSA-N 1 1 275.308 1.875 20 5 CDBDMO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595813294 343161883 /nfs/dbraw/zinc/16/18/83/343161883.db2.gz ZXVSENJKGPFQDL-QWRGUYRKSA-N 1 1 275.308 1.875 20 5 CDBDMO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])s1 ZINC000596103303 343227490 /nfs/dbraw/zinc/22/74/90/343227490.db2.gz DLBHUHJQEFUXHV-UHFFFAOYSA-N 1 1 299.396 1.858 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596137324 343240618 /nfs/dbraw/zinc/24/06/18/343240618.db2.gz RMTHBDCMJXQQAJ-UHFFFAOYSA-N 1 1 277.284 1.703 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596432262 343320010 /nfs/dbraw/zinc/32/00/10/343320010.db2.gz RRLWOKIKPGHCSS-NXEZZACHSA-N 1 1 296.327 1.217 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596432262 343320013 /nfs/dbraw/zinc/32/00/13/343320013.db2.gz RRLWOKIKPGHCSS-NXEZZACHSA-N 1 1 296.327 1.217 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000588977521 342446311 /nfs/dbraw/zinc/44/63/11/342446311.db2.gz NVIABZJCTRMROE-SECBINFHSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571305 344090163 /nfs/dbraw/zinc/09/01/63/344090163.db2.gz BNVSDZZMHLJGBK-UHFFFAOYSA-N 1 1 293.323 1.502 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571305 344090166 /nfs/dbraw/zinc/09/01/66/344090166.db2.gz BNVSDZZMHLJGBK-UHFFFAOYSA-N 1 1 293.323 1.502 20 5 CDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621844 344097290 /nfs/dbraw/zinc/09/72/90/344097290.db2.gz HUJQAIJUKVOFBV-SECBINFHSA-N 1 1 274.271 1.911 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602778734 344594737 /nfs/dbraw/zinc/59/47/37/344594737.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 1 1 295.387 1.373 20 5 CDBDMO CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826551 344612115 /nfs/dbraw/zinc/61/21/15/344612115.db2.gz BUNRJSJAOCBWPK-LLVKDONJSA-N 1 1 281.360 1.126 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000602788385 344600252 /nfs/dbraw/zinc/60/02/52/344600252.db2.gz OPPXJVPXTIOZMA-TXEJJXNPSA-N 1 1 264.329 1.832 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000602901698 344654841 /nfs/dbraw/zinc/65/48/41/344654841.db2.gz DDABEXYRINBGLS-GHMZBOCLSA-N 1 1 250.302 1.442 20 5 CDBDMO CCNC(=O)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000293395941 362557305 /nfs/dbraw/zinc/55/73/05/362557305.db2.gz XPMAWQMOYDZKMD-NSHDSACASA-N 1 1 285.369 1.907 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C)CC1 ZINC000007782433 345129230 /nfs/dbraw/zinc/12/92/30/345129230.db2.gz CIGXNPPRDAKYRZ-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO COC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819701 362608710 /nfs/dbraw/zinc/60/87/10/362608710.db2.gz RQNWSZXHRJFKBD-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164197 362602376 /nfs/dbraw/zinc/60/23/76/362602376.db2.gz UCUZDSMRZBSNIA-NSHDSACASA-N 1 1 292.339 1.590 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611254587 346721168 /nfs/dbraw/zinc/72/11/68/346721168.db2.gz VAWINDZYXUTOFF-UHFFFAOYSA-N 1 1 279.340 1.813 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611254587 346721172 /nfs/dbraw/zinc/72/11/72/346721172.db2.gz VAWINDZYXUTOFF-UHFFFAOYSA-N 1 1 279.340 1.813 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000611222062 346696182 /nfs/dbraw/zinc/69/61/82/346696182.db2.gz SPGUALKHMHUFKA-NXEZZACHSA-N 1 1 267.333 1.247 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000612588241 347217987 /nfs/dbraw/zinc/21/79/87/347217987.db2.gz XLDZJAWGQMPJIW-QMVVBGKPSA-N 1 1 278.308 1.036 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000090794954 348156930 /nfs/dbraw/zinc/15/69/30/348156930.db2.gz DNLUGODZACHQSO-BDAKNGLRSA-N 1 1 253.306 1.223 20 5 CDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000063118449 348918873 /nfs/dbraw/zinc/91/88/73/348918873.db2.gz IECVOMJBZQBDLU-UHFFFAOYSA-N 1 1 269.326 1.480 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111265092 186381224 /nfs/dbraw/zinc/38/12/24/186381224.db2.gz KZLFDBWRTXQXGI-LBPRGKRZSA-N 1 1 277.324 1.553 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068806355 351126484 /nfs/dbraw/zinc/12/64/84/351126484.db2.gz PPSLBEMMTBBEBV-LLVKDONJSA-N 1 1 264.329 1.253 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000123215932 187077992 /nfs/dbraw/zinc/07/79/92/187077992.db2.gz WNZMAYUTDMGQGF-SNVBAGLBSA-N 1 1 295.343 1.122 20 5 CDBDMO Cc1nn(C)c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000292024842 198137613 /nfs/dbraw/zinc/13/76/13/198137613.db2.gz XAINESOXYHMPJT-SECBINFHSA-N 1 1 297.359 1.095 20 5 CDBDMO C[N@@H+](CCn1cccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154223167 188130205 /nfs/dbraw/zinc/13/02/05/188130205.db2.gz XTSPOKVRFFPHQR-CQSZACIVSA-N 1 1 290.323 1.457 20 5 CDBDMO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000311193623 357326267 /nfs/dbraw/zinc/32/62/67/357326267.db2.gz FKJLZTKZARGPHH-VIFPVBQESA-N 1 1 255.293 1.774 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cccn1 ZINC000282375174 357340201 /nfs/dbraw/zinc/34/02/01/357340201.db2.gz FMOSGVLWXCLWSD-UHFFFAOYSA-N 1 1 274.324 1.966 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185176774 357517986 /nfs/dbraw/zinc/51/79/86/357517986.db2.gz MGOSUUACBKYYFK-UHFFFAOYSA-N 1 1 257.315 1.224 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287083722 358095549 /nfs/dbraw/zinc/09/55/49/358095549.db2.gz VPPIKWCQSREDGW-CQSZACIVSA-N 1 1 298.314 1.770 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000287083722 358095551 /nfs/dbraw/zinc/09/55/51/358095551.db2.gz VPPIKWCQSREDGW-CQSZACIVSA-N 1 1 298.314 1.770 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000361658705 358408462 /nfs/dbraw/zinc/40/84/62/358408462.db2.gz GHIKOVGPLZZBOO-AAEUAGOBSA-N 1 1 264.325 1.963 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c(F)c1 ZINC000287462912 358657515 /nfs/dbraw/zinc/65/75/15/358657515.db2.gz RINSZLWYZJFAEL-VXGBXAGGSA-N 1 1 284.287 1.052 20 5 CDBDMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104064039 358944123 /nfs/dbraw/zinc/94/41/23/358944123.db2.gz VARCXGHDWRSTTM-AWEZNQCLSA-N 1 1 291.351 1.594 20 5 CDBDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104064039 358944126 /nfs/dbraw/zinc/94/41/26/358944126.db2.gz VARCXGHDWRSTTM-AWEZNQCLSA-N 1 1 291.351 1.594 20 5 CDBDMO O=C1NCC[C@@]12CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000569256354 359148865 /nfs/dbraw/zinc/14/88/65/359148865.db2.gz NBTCUGMNPGXYHN-AWEZNQCLSA-N 1 1 275.308 1.449 20 5 CDBDMO O=C1NCC[C@@]12CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000569256354 359148870 /nfs/dbraw/zinc/14/88/70/359148870.db2.gz NBTCUGMNPGXYHN-AWEZNQCLSA-N 1 1 275.308 1.449 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064459 359283265 /nfs/dbraw/zinc/28/32/65/359283265.db2.gz GNBWMKOPSASZMO-QWRGUYRKSA-N 1 1 279.340 1.825 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351494099 360612184 /nfs/dbraw/zinc/61/21/84/360612184.db2.gz NHUJMMGZRZHHQS-RWMBFGLXSA-N 1 1 291.351 1.643 20 5 CDBDMO Cc1cc(NCCc2c[nH+]cn2C)ncc1[N+](=O)[O-] ZINC000302122085 201350484 /nfs/dbraw/zinc/35/04/84/201350484.db2.gz DSBNPNXTAMIZJH-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCO ZINC000299233927 239345567 /nfs/dbraw/zinc/34/55/67/239345567.db2.gz QYTPWIUQWGNRCO-UHFFFAOYSA-N 1 1 281.312 1.156 20 5 CDBDMO CCOC1CC2(C1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000367588406 363998871 /nfs/dbraw/zinc/99/88/71/363998871.db2.gz WOVRXDXNKBNTIS-UHFFFAOYSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200644 364443878 /nfs/dbraw/zinc/44/38/78/364443878.db2.gz OOAICUYVPGGOOW-GWCFXTLKSA-N 1 1 289.335 1.807 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200650 364443888 /nfs/dbraw/zinc/44/38/88/364443888.db2.gz OOAICUYVPGGOOW-GXFFZTMASA-N 1 1 289.335 1.807 20 5 CDBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])ccc1=O ZINC000124597582 364530818 /nfs/dbraw/zinc/53/08/18/364530818.db2.gz QOVRITCDXXAKIB-UHFFFAOYSA-N 1 1 276.296 1.742 20 5 CDBDMO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000174834588 364582179 /nfs/dbraw/zinc/58/21/79/364582179.db2.gz DOHQSWPYVXAHMQ-UHFFFAOYSA-N 1 1 298.343 1.312 20 5 CDBDMO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000174834588 364582190 /nfs/dbraw/zinc/58/21/90/364582190.db2.gz DOHQSWPYVXAHMQ-UHFFFAOYSA-N 1 1 298.343 1.312 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000174820725 364574246 /nfs/dbraw/zinc/57/42/46/364574246.db2.gz GMUDKODPRORAOY-LLVKDONJSA-N 1 1 280.328 1.292 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065320 239950508 /nfs/dbraw/zinc/95/05/08/239950508.db2.gz KQIOORJPTGXXNM-CYBMUJFWSA-N 1 1 296.327 1.066 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275440527 193039507 /nfs/dbraw/zinc/03/95/07/193039507.db2.gz KFANHTBQCIWHQE-ZIAGYGMSSA-N 1 1 294.351 1.721 20 5 CDBDMO CCC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270460481 366882190 /nfs/dbraw/zinc/88/21/90/366882190.db2.gz AECPATIQLFCUBS-LLVKDONJSA-N 1 1 267.329 1.877 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360437 367033474 /nfs/dbraw/zinc/03/34/74/367033474.db2.gz ZKZCYXIDLUYFPK-SNVBAGLBSA-N 1 1 295.295 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360437 367033478 /nfs/dbraw/zinc/03/34/78/367033478.db2.gz ZKZCYXIDLUYFPK-SNVBAGLBSA-N 1 1 295.295 1.707 20 5 CDBDMO Cc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361147 367132440 /nfs/dbraw/zinc/13/24/40/367132440.db2.gz CBPFJQADDWBGFM-NWDGAFQWSA-N 1 1 291.355 1.614 20 5 CDBDMO CC(C)[N@H+](C)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272602150 367780635 /nfs/dbraw/zinc/78/06/35/367780635.db2.gz RAQFQUAHANBXTN-UHFFFAOYSA-N 1 1 295.339 1.761 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272602150 367780646 /nfs/dbraw/zinc/78/06/46/367780646.db2.gz RAQFQUAHANBXTN-UHFFFAOYSA-N 1 1 295.339 1.761 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348950327 368382201 /nfs/dbraw/zinc/38/22/01/368382201.db2.gz PGJIRKFSOHHXMS-AWEZNQCLSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330673619 203102410 /nfs/dbraw/zinc/10/24/10/203102410.db2.gz PONNIUVADGJIQY-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640214 244305719 /nfs/dbraw/zinc/30/57/19/244305719.db2.gz SQLPXICCHOUNLW-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO Cc1[nH+]ccn1CCCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000276171676 193232368 /nfs/dbraw/zinc/23/23/68/193232368.db2.gz CUOBGKNCPHISTI-UHFFFAOYSA-N 1 1 276.296 1.660 20 5 CDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000065223126 374256771 /nfs/dbraw/zinc/25/67/71/374256771.db2.gz FSLUHSGMXLBSJG-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO C[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000347173506 374409899 /nfs/dbraw/zinc/40/98/99/374409899.db2.gz TULXNTBGXAEJRG-LLVKDONJSA-N 1 1 282.344 1.417 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280198947 374986045 /nfs/dbraw/zinc/98/60/45/374986045.db2.gz HVUCNSHQCYIDMM-AWEZNQCLSA-N 1 1 277.324 1.601 20 5 CDBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331545326 374971758 /nfs/dbraw/zinc/97/17/58/374971758.db2.gz RAOHYXYBIHWHAE-NSHDSACASA-N 1 1 289.335 1.870 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282216220 375072789 /nfs/dbraw/zinc/07/27/89/375072789.db2.gz DPXGUJHBUQXHSK-UFBFGSQYSA-N 1 1 297.742 1.862 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282331831 375079505 /nfs/dbraw/zinc/07/95/05/375079505.db2.gz LRSNXTYLTHJVJZ-CYBMUJFWSA-N 1 1 293.323 1.184 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000049480201 375447250 /nfs/dbraw/zinc/44/72/50/375447250.db2.gz MKTLISYYHVASNJ-LLVKDONJSA-N 1 1 281.360 1.861 20 5 CDBDMO COCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352679031 375529476 /nfs/dbraw/zinc/52/94/76/375529476.db2.gz OTSCWZVNLHOEGG-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO COCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352679031 375529481 /nfs/dbraw/zinc/52/94/81/375529481.db2.gz OTSCWZVNLHOEGG-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000344921189 375658000 /nfs/dbraw/zinc/65/80/00/375658000.db2.gz NWVNUMGPHZQBCS-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000058438129 375757012 /nfs/dbraw/zinc/75/70/12/375757012.db2.gz MZKSBDWTTWSEQK-SNVBAGLBSA-N 1 1 285.731 1.991 20 5 CDBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000058438129 375757019 /nfs/dbraw/zinc/75/70/19/375757019.db2.gz MZKSBDWTTWSEQK-SNVBAGLBSA-N 1 1 285.731 1.991 20 5 CDBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000358062340 375950674 /nfs/dbraw/zinc/95/06/74/375950674.db2.gz HMGLXFHCGLZWSY-UHFFFAOYSA-N 1 1 278.312 1.305 20 5 CDBDMO Cc1nn(C)c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000571862836 377568120 /nfs/dbraw/zinc/56/81/20/377568120.db2.gz SYAKJUSQRBGPIA-AWEZNQCLSA-N 1 1 293.371 1.559 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173177823 378029874 /nfs/dbraw/zinc/02/98/74/378029874.db2.gz ZITKSYGQPWPKLL-LBPRGKRZSA-N 1 1 277.324 1.205 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000357570642 378304966 /nfs/dbraw/zinc/30/49/66/378304966.db2.gz ODLIWGMKWJGJKU-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000357570642 378304969 /nfs/dbraw/zinc/30/49/69/378304969.db2.gz ODLIWGMKWJGJKU-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174846850 379592661 /nfs/dbraw/zinc/59/26/61/379592661.db2.gz JFJFPVZDBVLMNB-VIFPVBQESA-N 1 1 256.331 1.229 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453041489 252259688 /nfs/dbraw/zinc/25/96/88/252259688.db2.gz UQMVFBJNBDWZEL-RNCFNFMXSA-N 1 1 293.298 1.510 20 5 CDBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909448 390465129 /nfs/dbraw/zinc/46/51/29/390465129.db2.gz ZBQWCLFQETZTEB-SNVBAGLBSA-N 1 1 264.285 1.420 20 5 CDBDMO CC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201671 390686606 /nfs/dbraw/zinc/68/66/06/390686606.db2.gz NWIIOZHDZVTJGE-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO CC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201671 390686609 /nfs/dbraw/zinc/68/66/09/390686609.db2.gz NWIIOZHDZVTJGE-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO CC1=C(C)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000361612818 390872211 /nfs/dbraw/zinc/87/22/11/390872211.db2.gz VUKBUENPCASYBW-UHFFFAOYSA-N 1 1 250.302 1.870 20 5 CDBDMO CC1=C(C)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000361612818 390872213 /nfs/dbraw/zinc/87/22/13/390872213.db2.gz VUKBUENPCASYBW-UHFFFAOYSA-N 1 1 250.302 1.870 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412039927 391064861 /nfs/dbraw/zinc/06/48/61/391064861.db2.gz JVYRFEXWQGORGX-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO CC(C)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415097161 391257011 /nfs/dbraw/zinc/25/70/11/391257011.db2.gz RVTXEKFNCZGDPA-CYBMUJFWSA-N 1 1 293.367 1.796 20 5 CDBDMO COC(=O)COc1ccc(C[NH2+]CCF)cc1[N+](=O)[O-] ZINC000437241074 391637800 /nfs/dbraw/zinc/63/78/00/391637800.db2.gz TYNVTAJLSCUQOG-UHFFFAOYSA-N 1 1 286.259 1.206 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000519603192 391739758 /nfs/dbraw/zinc/73/97/58/391739758.db2.gz HQRDUABZYACOII-ZDUSSCGKSA-N 1 1 287.323 1.676 20 5 CDBDMO C[N@@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000341851644 130093908 /nfs/dbraw/zinc/09/39/08/130093908.db2.gz ZDWRQXXWWPPUKA-UHFFFAOYSA-N 1 1 278.312 1.200 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000190864530 130154449 /nfs/dbraw/zinc/15/44/49/130154449.db2.gz QDBNHDBXBCISFK-KOLCDFICSA-N 1 1 298.314 1.803 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000190864530 130154451 /nfs/dbraw/zinc/15/44/51/130154451.db2.gz QDBNHDBXBCISFK-KOLCDFICSA-N 1 1 298.314 1.803 20 5 CDBDMO CC(C)(O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000189911712 391809338 /nfs/dbraw/zinc/80/93/38/391809338.db2.gz DZAUYTVBJDUUHY-UHFFFAOYSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760600 392492198 /nfs/dbraw/zinc/49/21/98/392492198.db2.gz VDCNFQPASODFGG-NEPJUHHUSA-N 1 1 279.340 1.643 20 5 CDBDMO Cc1noc(C[NH+]2CCC3(CCOC3)CC2)c1[N+](=O)[O-] ZINC000595402377 392563588 /nfs/dbraw/zinc/56/35/88/392563588.db2.gz YAPKLDBUOPUKQM-UHFFFAOYSA-N 1 1 281.312 1.894 20 5 CDBDMO Cc1cccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000524720998 392919329 /nfs/dbraw/zinc/91/93/29/392919329.db2.gz WWQUTUMCSZCXJN-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO Cc1nc(NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000268481211 132015237 /nfs/dbraw/zinc/01/52/37/132015237.db2.gz LKBDQPVUXURXTB-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804400 392937609 /nfs/dbraw/zinc/93/76/09/392937609.db2.gz VLTWTZXGTFETBX-LBPRGKRZSA-N 1 1 291.351 1.595 20 5 CDBDMO Cc1c(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423071984 392958221 /nfs/dbraw/zinc/95/82/21/392958221.db2.gz IKHVCCDZMZRKRA-IACUBPJLSA-N 1 1 293.367 1.745 20 5 CDBDMO N[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319651 392960626 /nfs/dbraw/zinc/96/06/26/392960626.db2.gz LUFYKNIKHKWHLH-FRRDWIJNSA-N 1 1 293.371 1.602 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@H+]1C1CC1 ZINC000531005133 393056991 /nfs/dbraw/zinc/05/69/91/393056991.db2.gz DOKUCUZXAODXPM-UWVGGRQHSA-N 1 1 292.339 1.288 20 5 CDBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000429130314 393078175 /nfs/dbraw/zinc/07/81/75/393078175.db2.gz UTDWHQFCZVOQDU-UHFFFAOYSA-N 1 1 265.313 1.335 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278862432 393143220 /nfs/dbraw/zinc/14/32/20/393143220.db2.gz YJNUMJKTXCPFOO-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493844778 393223367 /nfs/dbraw/zinc/22/33/67/393223367.db2.gz CIVZZECILSQDJQ-VOTSOKGWSA-N 1 1 289.335 1.817 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744937 398133521 /nfs/dbraw/zinc/13/35/21/398133521.db2.gz AJKAOAVQKFDZSW-PWSUYJOCSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000119396353 147316856 /nfs/dbraw/zinc/31/68/56/147316856.db2.gz GMKHSAARHHTUOU-QMMMGPOBSA-N 1 1 283.332 1.024 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271764 148032172 /nfs/dbraw/zinc/03/21/72/148032172.db2.gz NTBGNUWVQWZVCE-ZDUSSCGKSA-N 1 1 295.387 1.455 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[N@H+](C)C1 ZINC000176246534 148032366 /nfs/dbraw/zinc/03/23/66/148032366.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000176246534 148032372 /nfs/dbraw/zinc/03/23/72/148032372.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352657652 155327348 /nfs/dbraw/zinc/32/73/48/155327348.db2.gz BIVQGIJSUUITHY-STQMWFEESA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343438824 152177293 /nfs/dbraw/zinc/17/72/93/152177293.db2.gz LUJNEIAQJSNQOJ-GXFFZTMASA-N 1 1 277.324 1.807 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)O ZINC000352220953 155033070 /nfs/dbraw/zinc/03/30/70/155033070.db2.gz KKFGNKFNRJKSPG-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230840 155042944 /nfs/dbraw/zinc/04/29/44/155042944.db2.gz MLBXSSDAYIXIAO-GHMZBOCLSA-N 1 1 295.339 1.625 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353783783 156081478 /nfs/dbraw/zinc/08/14/78/156081478.db2.gz CCXCKMCSFLIDDM-ZDUSSCGKSA-N 1 1 292.339 1.217 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccnc1 ZINC000285433979 196284091 /nfs/dbraw/zinc/28/40/91/196284091.db2.gz WYDZEPAWVSLCIX-UHFFFAOYSA-N 1 1 274.324 1.966 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000044564366 175207701 /nfs/dbraw/zinc/20/77/01/175207701.db2.gz NEVNURSJEUFTBI-LLVKDONJSA-N 1 1 295.314 1.948 20 5 CDBDMO CN1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928012 270236622 /nfs/dbraw/zinc/23/66/22/270236622.db2.gz KLQRCSYQMALOOB-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO CN1CCC([N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928012 270236624 /nfs/dbraw/zinc/23/66/24/270236624.db2.gz KLQRCSYQMALOOB-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401525261 270376417 /nfs/dbraw/zinc/37/64/17/270376417.db2.gz FGFICQSZJDBUHB-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401525261 270376420 /nfs/dbraw/zinc/37/64/20/270376420.db2.gz FGFICQSZJDBUHB-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000133944630 278294393 /nfs/dbraw/zinc/29/43/93/278294393.db2.gz IEJHBJQYUIBDQQ-WCQYABFASA-N 1 1 279.340 1.451 20 5 CDBDMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000194732157 280052196 /nfs/dbraw/zinc/05/21/96/280052196.db2.gz KWXRZRPNSKOEPW-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO COc1cc(C[NH2+][C@@H](C)CN(C)C)c([N+](=O)[O-])cc1O ZINC000577509564 317346479 /nfs/dbraw/zinc/34/64/79/317346479.db2.gz SBTKSXPKRNPKMR-VIFPVBQESA-N 1 1 283.328 1.349 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000579796544 324280791 /nfs/dbraw/zinc/28/07/91/324280791.db2.gz WMRNSWFIZWVJEW-ZJUUUORDSA-N 1 1 265.317 1.222 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762488 325038191 /nfs/dbraw/zinc/03/81/91/325038191.db2.gz JYTJWLRCFMAXCC-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO COc1nc(NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157526654 1162152137 /nfs/dbraw/zinc/15/21/37/1162152137.db2.gz SZKDGHNNDXDRNL-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156410913 519626041 /nfs/dbraw/zinc/62/60/41/519626041.db2.gz ZPFWDHDBVRZSQT-CQSZACIVSA-N 1 1 291.351 1.895 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184220646 522388300 /nfs/dbraw/zinc/38/83/00/522388300.db2.gz RTNPNSPAHIXDME-SECBINFHSA-N 1 1 284.287 1.557 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184220646 522388308 /nfs/dbraw/zinc/38/83/08/522388308.db2.gz RTNPNSPAHIXDME-SECBINFHSA-N 1 1 284.287 1.557 20 5 CDBDMO CNc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000055420292 522583951 /nfs/dbraw/zinc/58/39/51/522583951.db2.gz MJIRETZRNYNENF-UHFFFAOYSA-N 1 1 292.339 1.414 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000061379784 523614020 /nfs/dbraw/zinc/61/40/20/523614020.db2.gz XTNQAXSGPCJBIA-UHFFFAOYSA-N 1 1 267.329 1.893 20 5 CDBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000337021196 525110764 /nfs/dbraw/zinc/11/07/64/525110764.db2.gz RJLYPBIEIQUAAS-JGVFFNPUSA-N 1 1 256.331 1.946 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H](C)O ZINC000156274053 526077668 /nfs/dbraw/zinc/07/76/68/526077668.db2.gz DVAPPBJRWGHDOC-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H](C)O ZINC000156274053 526077676 /nfs/dbraw/zinc/07/76/76/526077676.db2.gz DVAPPBJRWGHDOC-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364798911 527414156 /nfs/dbraw/zinc/41/41/56/527414156.db2.gz LYHXBCPOTQHLET-CQSZACIVSA-N 1 1 294.355 1.682 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949989 528545863 /nfs/dbraw/zinc/54/58/63/528545863.db2.gz AHZPLRZQHWECIH-IUCAKERBSA-N 1 1 295.343 1.093 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000190450185 536768061 /nfs/dbraw/zinc/76/80/61/536768061.db2.gz MXCLTTMCVJPHPG-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000190450185 536768065 /nfs/dbraw/zinc/76/80/65/536768065.db2.gz MXCLTTMCVJPHPG-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771864874 575630288 /nfs/dbraw/zinc/63/02/88/575630288.db2.gz LQICKIMGFJRISI-UHFFFAOYSA-N 1 1 290.279 1.539 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000754080360 576878363 /nfs/dbraw/zinc/87/83/63/576878363.db2.gz UIRQGWITQNQCMH-SECBINFHSA-N 1 1 291.311 1.661 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000891394607 617382320 /nfs/dbraw/zinc/38/23/20/617382320.db2.gz WYNAMZXYCXNNHE-JTQLQIEISA-N 1 1 296.323 1.513 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000891394607 617382321 /nfs/dbraw/zinc/38/23/21/617382321.db2.gz WYNAMZXYCXNNHE-JTQLQIEISA-N 1 1 296.323 1.513 20 5 CDBDMO C[C@@H]1NC(=O)[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000895117878 619308537 /nfs/dbraw/zinc/30/85/37/619308537.db2.gz DBWFHZLWBUCAIP-SRVKXCTJSA-N 1 1 291.351 1.735 20 5 CDBDMO C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000895117878 619308538 /nfs/dbraw/zinc/30/85/38/619308538.db2.gz DBWFHZLWBUCAIP-SRVKXCTJSA-N 1 1 291.351 1.735 20 5 CDBDMO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117876 619308610 /nfs/dbraw/zinc/30/86/10/619308610.db2.gz DBWFHZLWBUCAIP-QJPTWQEYSA-N 1 1 291.351 1.735 20 5 CDBDMO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117876 619308612 /nfs/dbraw/zinc/30/86/12/619308612.db2.gz DBWFHZLWBUCAIP-QJPTWQEYSA-N 1 1 291.351 1.735 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC000895636312 619778527 /nfs/dbraw/zinc/77/85/27/619778527.db2.gz HEUMXUUDFMBHGU-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CNCC[N@@H+]1CC[C@@H](O)C1 ZINC000895636312 619778529 /nfs/dbraw/zinc/77/85/29/619778529.db2.gz HEUMXUUDFMBHGU-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO CCc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000899858819 622486469 /nfs/dbraw/zinc/48/64/69/622486469.db2.gz CGYWDUYAQXDWRM-CQSZACIVSA-N 1 1 265.357 1.718 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000905266973 626715609 /nfs/dbraw/zinc/71/56/09/626715609.db2.gz GKHMWIFGHJKEQZ-UHFFFAOYSA-N 1 1 264.203 1.793 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000910271516 628944905 /nfs/dbraw/zinc/94/49/05/628944905.db2.gz RVGZTDFIJCLNOJ-GFCCVEGCSA-N 1 1 285.388 1.765 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC3CC3)C2)nc1 ZINC000929986054 632225203 /nfs/dbraw/zinc/22/52/03/632225203.db2.gz FEPVUWMAFYLUEI-NSHDSACASA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000304553484 1186633184 /nfs/dbraw/zinc/63/31/84/1186633184.db2.gz PEZZJVJCLMVVDP-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO Nc1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000312471161 1186699911 /nfs/dbraw/zinc/69/99/11/1186699911.db2.gz GTVBQISCARTNEW-WDEREUQCSA-N 1 1 277.328 1.611 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714899 736414763 /nfs/dbraw/zinc/41/47/63/736414763.db2.gz WYMNTOPDWLHENQ-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO CCN(C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1)CC(F)(F)F ZINC000929781872 736648286 /nfs/dbraw/zinc/64/82/86/736648286.db2.gz QWAQRDNFILJLEJ-JTQLQIEISA-N 1 1 283.294 1.469 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929762457 736652633 /nfs/dbraw/zinc/65/26/33/736652633.db2.gz MPCZHXWWWSJHBH-JTQLQIEISA-N 1 1 273.333 1.204 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929762457 736652635 /nfs/dbraw/zinc/65/26/35/736652635.db2.gz MPCZHXWWWSJHBH-JTQLQIEISA-N 1 1 273.333 1.204 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000882484676 736964791 /nfs/dbraw/zinc/96/47/91/736964791.db2.gz JTICPOJATQMJNR-JTQLQIEISA-N 1 1 293.323 1.427 20 5 CDBDMO CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000843990088 737190735 /nfs/dbraw/zinc/19/07/35/737190735.db2.gz QWZRNCJENSLYTI-GFCCVEGCSA-N 1 1 285.388 1.765 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000923315797 737213041 /nfs/dbraw/zinc/21/30/41/737213041.db2.gz MDLWAUDWCPGAFC-GXTWGEPZSA-N 1 1 289.335 1.904 20 5 CDBDMO COc1ccc(OCC[N@H+](C)CC[N+](=O)[O-])cc1 ZINC000929226416 738483206 /nfs/dbraw/zinc/48/32/06/738483206.db2.gz NBBDAUSSGPQANS-UHFFFAOYSA-N 1 1 254.286 1.283 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC000929226416 738483215 /nfs/dbraw/zinc/48/32/15/738483215.db2.gz NBBDAUSSGPQANS-UHFFFAOYSA-N 1 1 254.286 1.283 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000887059252 737370160 /nfs/dbraw/zinc/37/01/60/737370160.db2.gz MRPYEOHMWQOYKJ-UFBFGSQYSA-N 1 1 283.303 1.724 20 5 CDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839567368 738505943 /nfs/dbraw/zinc/50/59/43/738505943.db2.gz KFBOOLNTJRZUFJ-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839567368 738505961 /nfs/dbraw/zinc/50/59/61/738505961.db2.gz KFBOOLNTJRZUFJ-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839567368 738505968 /nfs/dbraw/zinc/50/59/68/738505968.db2.gz KFBOOLNTJRZUFJ-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000882483307 738075945 /nfs/dbraw/zinc/07/59/45/738075945.db2.gz XGUTYUMYTPNYQO-VIFPVBQESA-N 1 1 283.353 1.789 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000882483307 738075951 /nfs/dbraw/zinc/07/59/51/738075951.db2.gz XGUTYUMYTPNYQO-VIFPVBQESA-N 1 1 283.353 1.789 20 5 CDBDMO CCOc1cccc(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000884825073 738330659 /nfs/dbraw/zinc/33/06/59/738330659.db2.gz DAVXSJYPBIGUKT-UHFFFAOYSA-N 1 1 283.328 1.330 20 5 CDBDMO C[C@@H]1NCCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627559 738709353 /nfs/dbraw/zinc/70/93/53/738709353.db2.gz BQYDZJSSYRWVJA-SMDDNHRTSA-N 1 1 263.341 1.867 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842830145 738841048 /nfs/dbraw/zinc/84/10/48/738841048.db2.gz SRKKNJYMKAFORU-IJLUTSLNSA-N 1 1 270.329 1.315 20 5 CDBDMO CC(C)[N@@H+]1CCC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842830145 738841049 /nfs/dbraw/zinc/84/10/49/738841049.db2.gz SRKKNJYMKAFORU-IJLUTSLNSA-N 1 1 270.329 1.315 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842830145 738841051 /nfs/dbraw/zinc/84/10/51/738841051.db2.gz SRKKNJYMKAFORU-IJLUTSLNSA-N 1 1 270.329 1.315 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000776581917 738859839 /nfs/dbraw/zinc/85/98/39/738859839.db2.gz IZAGULXSLXADLU-SWLSCSKDSA-N 1 1 294.351 1.723 20 5 CDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590458 738920108 /nfs/dbraw/zinc/92/01/08/738920108.db2.gz GMPYEERBSMKGLP-TUKIKUTGSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000173526913 736390323 /nfs/dbraw/zinc/39/03/23/736390323.db2.gz GLXKWBIESJFOTI-SECBINFHSA-N 1 1 277.280 1.945 20 5 CDBDMO C[C@@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000173526913 736390330 /nfs/dbraw/zinc/39/03/30/736390330.db2.gz GLXKWBIESJFOTI-SECBINFHSA-N 1 1 277.280 1.945 20 5 CDBDMO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000179242272 736577102 /nfs/dbraw/zinc/57/71/02/736577102.db2.gz TYLATXXGRRAQBN-UHFFFAOYSA-N 1 1 290.323 1.889 20 5 CDBDMO C[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000179242272 736577108 /nfs/dbraw/zinc/57/71/08/736577108.db2.gz TYLATXXGRRAQBN-UHFFFAOYSA-N 1 1 290.323 1.889 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248625 736803456 /nfs/dbraw/zinc/80/34/56/736803456.db2.gz IXUKYMIFTCHEDL-TUKIKUTGSA-N 1 1 294.351 1.864 20 5 CDBDMO O=[N+]([O-])CCN1CC[NH+](Cc2cccs2)CC1 ZINC000929236407 736954651 /nfs/dbraw/zinc/95/46/51/736954651.db2.gz IWNNPYCGEMOWGX-UHFFFAOYSA-N 1 1 255.343 1.142 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000791053557 737183438 /nfs/dbraw/zinc/18/34/38/737183438.db2.gz UFFWBQXQIPBOAQ-AWEZNQCLSA-N 1 1 264.325 1.944 20 5 CDBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000791053557 737183441 /nfs/dbraw/zinc/18/34/41/737183441.db2.gz UFFWBQXQIPBOAQ-AWEZNQCLSA-N 1 1 264.325 1.944 20 5 CDBDMO CC(C)([NH2+]CC[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000930022924 737776652 /nfs/dbraw/zinc/77/66/52/737776652.db2.gz GZYLKWHTSNQDQQ-UHFFFAOYSA-N 1 1 251.286 1.270 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886206363 737821339 /nfs/dbraw/zinc/82/13/39/737821339.db2.gz RBGXCNWYGUXRLS-JTQLQIEISA-N 1 1 253.302 1.583 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000826777479 737961932 /nfs/dbraw/zinc/96/19/32/737961932.db2.gz BHKKZODERQWPNU-QWRGUYRKSA-N 1 1 283.372 1.563 20 5 CDBDMO COc1cc(Cc2noc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191743 738105382 /nfs/dbraw/zinc/10/53/82/738105382.db2.gz LUTSHXMXHFGNEG-ZETCQYMHSA-N 1 1 278.268 1.597 20 5 CDBDMO CN(CC[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000929764384 738126206 /nfs/dbraw/zinc/12/62/06/738126206.db2.gz PNGBXWADUMOMBF-OAHLLOKOSA-N 1 1 277.368 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000776591682 738164730 /nfs/dbraw/zinc/16/47/30/738164730.db2.gz FSBGWSHKBGNCQU-CYBMUJFWSA-N 1 1 294.307 1.077 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000776591682 738164750 /nfs/dbraw/zinc/16/47/50/738164750.db2.gz FSBGWSHKBGNCQU-CYBMUJFWSA-N 1 1 294.307 1.077 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)O1 ZINC000821341751 738354862 /nfs/dbraw/zinc/35/48/62/738354862.db2.gz CWDFCFPHOHOGIL-NSHDSACASA-N 1 1 264.281 1.732 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)O1 ZINC000821341751 738354865 /nfs/dbraw/zinc/35/48/65/738354865.db2.gz CWDFCFPHOHOGIL-NSHDSACASA-N 1 1 264.281 1.732 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815272747 739054595 /nfs/dbraw/zinc/05/45/95/739054595.db2.gz VWKZREXMNVFYDU-SWLSCSKDSA-N 1 1 294.351 1.723 20 5 CDBDMO C[C@@H]([NH3+])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184112 739075977 /nfs/dbraw/zinc/07/59/77/739075977.db2.gz FNFOBSSSNNWTDV-MRVPVSSYSA-N 1 1 277.284 1.652 20 5 CDBDMO CSCC[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843222410 739209297 /nfs/dbraw/zinc/20/92/97/739209297.db2.gz IAOBEEYBTUSHBS-LURJTMIESA-N 1 1 298.328 1.131 20 5 CDBDMO C[NH+](C)[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469753 911966950 /nfs/dbraw/zinc/96/69/50/911966950.db2.gz WOMQGBJNHQACBK-CABCVRRESA-N 1 1 293.367 1.558 20 5 CDBDMO CN(C)CCC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979855 927567598 /nfs/dbraw/zinc/56/75/98/927567598.db2.gz BKSFQHYNARWKMH-NWDGAFQWSA-N 1 1 257.378 1.752 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011552 927617675 /nfs/dbraw/zinc/61/76/75/927617675.db2.gz KWLYGGYVEKXIGK-RHYQMDGZSA-N 1 1 278.299 1.176 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CO)CC2)C1 ZINC001169011313 927617703 /nfs/dbraw/zinc/61/77/03/927617703.db2.gz JRCPHYXPRFTGKI-XQQFMLRXSA-N 1 1 256.346 1.526 20 5 CDBDMO COC(=O)N1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014435 927619934 /nfs/dbraw/zinc/61/99/34/927619934.db2.gz ZPLTVBCLVLSWQA-NWDGAFQWSA-N 1 1 285.344 1.206 20 5 CDBDMO CC(C)(C)[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036757 927647405 /nfs/dbraw/zinc/64/74/05/927647405.db2.gz PWJYWBVVRGCTPR-STQMWFEESA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@H+](CCCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046728 927665432 /nfs/dbraw/zinc/66/54/32/927665432.db2.gz MIQDLCCBGQKLJV-OLZOCXBDSA-N 1 1 257.378 1.705 20 5 CDBDMO CC[N@@H+](CCCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046728 927665438 /nfs/dbraw/zinc/66/54/38/927665438.db2.gz MIQDLCCBGQKLJV-OLZOCXBDSA-N 1 1 257.378 1.705 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170901075 930702955 /nfs/dbraw/zinc/70/29/55/930702955.db2.gz VOARXDPCKPNKGA-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO O=C1CC2(CN1)CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886026983 930789642 /nfs/dbraw/zinc/78/96/42/930789642.db2.gz APQUHTNKTLMZDC-UHFFFAOYSA-N 1 1 290.323 1.092 20 5 CDBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119434359 937719415 /nfs/dbraw/zinc/71/94/15/937719415.db2.gz DFWHACVZRIBBML-AWEZNQCLSA-N 1 1 279.340 1.830 20 5 CDBDMO COc1ncnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156379431 938360701 /nfs/dbraw/zinc/36/07/01/938360701.db2.gz VFGQAEYCVFWYLT-JTQLQIEISA-N 1 1 295.343 1.537 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156624003 938397010 /nfs/dbraw/zinc/39/70/10/938397010.db2.gz HWCYOLRZAPDTGN-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(N)n1 ZINC001157229936 938468271 /nfs/dbraw/zinc/46/82/71/938468271.db2.gz UDSAFEUQKIWJNG-UHFFFAOYSA-N 1 1 290.258 1.743 20 5 CDBDMO Cc1nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157260007 938470270 /nfs/dbraw/zinc/47/02/70/938470270.db2.gz GVWHTVALOWNLJO-WCQYABFASA-N 1 1 276.340 1.829 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2CC[C@@H]2C1 ZINC001158423837 938622230 /nfs/dbraw/zinc/62/22/30/938622230.db2.gz NLKHIAVAJWGHLM-LLVKDONJSA-N 1 1 285.307 1.432 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CC[C@H]3C2)c(Cl)c1 ZINC001158424705 938622627 /nfs/dbraw/zinc/62/26/27/938622627.db2.gz HHGICXCQNYACRV-QMMMGPOBSA-N 1 1 268.704 1.538 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CC[C@H]3C2)c(Cl)c1 ZINC001158424705 938622629 /nfs/dbraw/zinc/62/26/29/938622629.db2.gz HHGICXCQNYACRV-QMMMGPOBSA-N 1 1 268.704 1.538 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159783987 938752510 /nfs/dbraw/zinc/75/25/10/938752510.db2.gz GDPVWTWHEZPENN-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC001160154064 938772090 /nfs/dbraw/zinc/77/20/90/938772090.db2.gz VSSAXLCZASDVLS-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CCC1(F)F ZINC001164322844 939455928 /nfs/dbraw/zinc/45/59/28/939455928.db2.gz GTAKPZSFFCLCLO-VIFPVBQESA-N 1 1 297.265 1.644 20 5 CDBDMO C[C@H](C[NH+]1CCOCC1)OCc1cccc([N+](=O)[O-])c1 ZINC001222769603 941633267 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O=[N+]([O-])c1cnc(OC2CC[NH+](CCF)CC2)nc1 ZINC001226731678 942058482 /nfs/dbraw/zinc/05/84/82/942058482.db2.gz QDAIEYJSLNQLCE-UHFFFAOYSA-N 1 1 270.264 1.198 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056910 942413048 /nfs/dbraw/zinc/41/30/48/942413048.db2.gz XSFFYDJRYPIHTG-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001234902117 943970657 /nfs/dbraw/zinc/97/06/57/943970657.db2.gz WHIOKULSIPIWMH-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592465 947544012 /nfs/dbraw/zinc/54/40/12/947544012.db2.gz DNEOECIJNHLVAX-ZIAGYGMSSA-N 1 1 262.309 1.519 20 5 CDBDMO COC(=O)[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592939 947545602 /nfs/dbraw/zinc/54/56/02/947545602.db2.gz HMIZGQFJEGKMFW-ZIAGYGMSSA-N 1 1 290.319 1.699 20 5 CDBDMO COC(=O)[C@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592939 947545613 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Cc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067701731 349033713 /nfs/dbraw/zinc/03/37/13/349033713.db2.gz HMLPHHZVJNKQFR-UHFFFAOYSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280247696 363102838 /nfs/dbraw/zinc/10/28/38/363102838.db2.gz MWTQCOANEMTDAE-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292048917 198144862 /nfs/dbraw/zinc/14/48/62/198144862.db2.gz BKKGWPJZBANHFO-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO COCC(C)(C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000292390531 198270361 /nfs/dbraw/zinc/27/03/61/198270361.db2.gz SFJURQFUTXTHGK-UHFFFAOYSA-N 1 1 256.306 1.148 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC2=CC[N@@H+](C)CC2)n1 ZINC000271750916 191305389 /nfs/dbraw/zinc/30/53/89/191305389.db2.gz BWFDEIJPSUMSMK-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO CC(C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272976678 192003832 /nfs/dbraw/zinc/00/38/32/192003832.db2.gz CHVWIGYLTGPDMD-GFCCVEGCSA-N 1 1 282.340 1.922 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)[NH+]1C ZINC000358711890 356324989 /nfs/dbraw/zinc/32/49/89/356324989.db2.gz DJDDMWPDEILAJN-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000407967080 356665357 /nfs/dbraw/zinc/66/53/57/356665357.db2.gz OSKTZXGMJLUVHD-PWSUYJOCSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714895 357891757 /nfs/dbraw/zinc/89/17/57/357891757.db2.gz WYMNTOPDWLHENQ-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000290760004 358033172 /nfs/dbraw/zinc/03/31/72/358033172.db2.gz JYALDKPLDKCZOA-GFCCVEGCSA-N 1 1 296.323 1.437 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOCCO ZINC000337445123 358039179 /nfs/dbraw/zinc/03/91/79/358039179.db2.gz LFPRPRUOKSIRHT-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOCCO ZINC000337445123 358039185 /nfs/dbraw/zinc/03/91/85/358039185.db2.gz LFPRPRUOKSIRHT-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192540915 358214603 /nfs/dbraw/zinc/21/46/03/358214603.db2.gz ZDWFRSZNQZJCEB-BETUJISGSA-N 1 1 289.335 1.157 20 5 CDBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251881279 140313639 /nfs/dbraw/zinc/31/36/39/140313639.db2.gz UVCPZJGTJQGMGS-SMDDNHRTSA-N 1 1 263.341 1.806 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749168 359608968 /nfs/dbraw/zinc/60/89/68/359608968.db2.gz RIAHBRRLJMLCRC-NSHDSACASA-N 1 1 291.351 1.898 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839488 360358645 /nfs/dbraw/zinc/35/86/45/360358645.db2.gz VNUSRCLBKBVCGK-JQWIXIFHSA-N 1 1 250.298 1.798 20 5 CDBDMO CCCC[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563668 189127094 /nfs/dbraw/zinc/12/70/94/189127094.db2.gz QJYBEVKLRPNDJO-CQSZACIVSA-N 1 1 282.340 1.723 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179573251 189203076 /nfs/dbraw/zinc/20/30/76/189203076.db2.gz QJPZICDLXQICBU-AWEZNQCLSA-N 1 1 294.351 1.877 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168415027 361231186 /nfs/dbraw/zinc/23/11/86/361231186.db2.gz UTUMTAZIFVZEDQ-UWVGGRQHSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168415027 361231189 /nfs/dbraw/zinc/23/11/89/361231189.db2.gz UTUMTAZIFVZEDQ-UWVGGRQHSA-N 1 1 295.295 1.706 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000580752619 363943026 /nfs/dbraw/zinc/94/30/26/363943026.db2.gz FWEIQODSCLGMHJ-ZDUSSCGKSA-N 1 1 281.356 1.339 20 5 CDBDMO C[C@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581230132 363973204 /nfs/dbraw/zinc/97/32/04/363973204.db2.gz BNUMESTUWXDXDR-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581230132 363973206 /nfs/dbraw/zinc/97/32/06/363973206.db2.gz BNUMESTUWXDXDR-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000104409460 364808498 /nfs/dbraw/zinc/80/84/98/364808498.db2.gz LQSJDMJANNVWOM-UHFFFAOYSA-N 1 1 295.314 1.948 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000457111665 365406703 /nfs/dbraw/zinc/40/67/03/365406703.db2.gz ITGFPUHPALVKKP-LLVKDONJSA-N 1 1 294.355 1.488 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360448 367034139 /nfs/dbraw/zinc/03/41/39/367034139.db2.gz LQCAMRNUIAPNLF-QMMMGPOBSA-N 1 1 269.257 1.316 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360448 367034144 /nfs/dbraw/zinc/03/41/44/367034144.db2.gz LQCAMRNUIAPNLF-QMMMGPOBSA-N 1 1 269.257 1.316 20 5 CDBDMO CNCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830343 241408131 /nfs/dbraw/zinc/40/81/31/241408131.db2.gz NXTYQJUXAVTVCK-LLVKDONJSA-N 1 1 251.330 1.725 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/CNC1CC[NH2+]CC1 ZINC000414793174 241389101 /nfs/dbraw/zinc/38/91/01/241389101.db2.gz TWSCQEBCXHIPLA-HWKANZROSA-N 1 1 261.325 1.950 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000272602789 367782533 /nfs/dbraw/zinc/78/25/33/367782533.db2.gz XVKFLXXMUZODGB-VIFPVBQESA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000272602789 367782539 /nfs/dbraw/zinc/78/25/39/367782539.db2.gz XVKFLXXMUZODGB-VIFPVBQESA-N 1 1 293.323 1.513 20 5 CDBDMO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272785485 368157979 /nfs/dbraw/zinc/15/79/79/368157979.db2.gz CJYPEBAQUJZQGD-SNVBAGLBSA-N 1 1 293.323 1.324 20 5 CDBDMO CCCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441201634 368417255 /nfs/dbraw/zinc/41/72/55/368417255.db2.gz MYYPXIRBXOPGFC-ZDUSSCGKSA-N 1 1 282.344 1.417 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630082 244294782 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O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368337367 373323514 /nfs/dbraw/zinc/32/35/14/373323514.db2.gz UDCDLMBEABPPHH-WDNDVIMCSA-N 1 1 278.308 1.144 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000298725375 374082673 /nfs/dbraw/zinc/08/26/73/374082673.db2.gz MMYDMEZHHSLMSL-UWVGGRQHSA-N 1 1 294.359 1.499 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420953753 374307553 /nfs/dbraw/zinc/30/75/53/374307553.db2.gz JKJMAZXJPOERLW-BETUJISGSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420953753 374307560 /nfs/dbraw/zinc/30/75/60/374307560.db2.gz JKJMAZXJPOERLW-BETUJISGSA-N 1 1 282.344 1.681 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000370002579 374373927 /nfs/dbraw/zinc/37/39/27/374373927.db2.gz QOCFFFBUSUWEEG-LLVKDONJSA-N 1 1 276.296 1.874 20 5 CDBDMO CCC[N@@H+](CC)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000080677913 374475779 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CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CO ZINC000132245788 375425528 /nfs/dbraw/zinc/42/55/28/375425528.db2.gz IGLNMHBXVNDQLG-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CO ZINC000132245788 375425532 /nfs/dbraw/zinc/42/55/32/375425532.db2.gz IGLNMHBXVNDQLG-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353199044 375586002 /nfs/dbraw/zinc/58/60/02/375586002.db2.gz BDDAUZPLDJYMEP-VIFPVBQESA-N 1 1 281.312 1.160 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353199044 375586006 /nfs/dbraw/zinc/58/60/06/375586006.db2.gz BDDAUZPLDJYMEP-VIFPVBQESA-N 1 1 281.312 1.160 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000353397100 375604851 /nfs/dbraw/zinc/60/48/51/375604851.db2.gz VWIOAOACJJFXQY-SECBINFHSA-N 1 1 274.280 1.941 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000173756518 379074956 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CDBDMO CCC[N@@H+](CC)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000174646451 379547783 /nfs/dbraw/zinc/54/77/83/379547783.db2.gz CBMQOSRXQVXVFW-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174650978 379548132 /nfs/dbraw/zinc/54/81/32/379548132.db2.gz BIFXOMPCFCOMSN-PWSUYJOCSA-N 1 1 268.317 1.027 20 5 CDBDMO Cc1occc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174832697 379588170 /nfs/dbraw/zinc/58/81/70/379588170.db2.gz UVMZNKOGQCHYTR-UHFFFAOYSA-N 1 1 264.285 1.825 20 5 CDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156251 390497411 /nfs/dbraw/zinc/49/74/11/390497411.db2.gz IORGERNXTLXMBR-OAHLLOKOSA-N 1 1 296.367 1.855 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000426269966 390469337 /nfs/dbraw/zinc/46/93/37/390469337.db2.gz HAINHUDWBSZUEH-LBPRGKRZSA-N 1 1 280.324 1.820 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000338419181 390662714 /nfs/dbraw/zinc/66/27/14/390662714.db2.gz 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CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000430206822 393093813 /nfs/dbraw/zinc/09/38/13/393093813.db2.gz PNYUQRSIYJSNSP-JOYOIKCWSA-N 1 1 266.297 1.416 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000430242187 393095531 /nfs/dbraw/zinc/09/55/31/393095531.db2.gz RGJCPJZWIDBXFS-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000430602904 393102957 /nfs/dbraw/zinc/10/29/57/393102957.db2.gz XCGIPLHGTXQLHI-UHFFFAOYSA-N 1 1 281.356 1.890 20 5 CDBDMO C[N@H+]1CC[C@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000487867306 393273487 /nfs/dbraw/zinc/27/34/87/393273487.db2.gz DJGVRNYZCWLSRR-NSHDSACASA-N 1 1 287.319 1.861 20 5 CDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762714 135112040 /nfs/dbraw/zinc/11/20/40/135112040.db2.gz FOZDXYGNQNFGHN-NSHDSACASA-N 1 1 294.355 1.271 20 5 CDBDMO [NH3+]CC(F)(F)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261573028 140352519 /nfs/dbraw/zinc/35/25/19/140352519.db2.gz ANZXTCDLZPYYHQ-UHFFFAOYSA-N 1 1 289.267 1.605 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC(C)(C)O ZINC000114728340 147256169 /nfs/dbraw/zinc/25/61/69/147256169.db2.gz CVQWARFDMABLJB-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC(C)(C)O ZINC000114728340 147256173 /nfs/dbraw/zinc/25/61/73/147256173.db2.gz CVQWARFDMABLJB-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181079196 148174383 /nfs/dbraw/zinc/17/43/83/148174383.db2.gz QZVMZGHGKVVUJE-UHFFFAOYSA-N 1 1 280.328 1.247 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352665606 155337140 /nfs/dbraw/zinc/33/71/40/155337140.db2.gz FTWWAAKYSUNIRL-YPMHNXCESA-N 1 1 280.324 1.819 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000343401785 152157374 /nfs/dbraw/zinc/15/73/74/152157374.db2.gz LSLHRVISFSBPIX-UHFFFAOYSA-N 1 1 280.328 1.101 20 5 CDBDMO C[C@]1(F)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778523 152298941 /nfs/dbraw/zinc/29/89/41/152298941.db2.gz YLKZYJIIRFGAER-FZMZJTMJSA-N 1 1 298.314 1.768 20 5 CDBDMO C[C@]1(F)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778523 152298943 /nfs/dbraw/zinc/29/89/43/152298943.db2.gz YLKZYJIIRFGAER-FZMZJTMJSA-N 1 1 298.314 1.768 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352700802 155376047 /nfs/dbraw/zinc/37/60/47/155376047.db2.gz UYIZHFVVPWEJRQ-KGLIPLIRSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000346673667 153267381 /nfs/dbraw/zinc/26/73/81/153267381.db2.gz VMGZFRCWFUMILA-LLVKDONJSA-N 1 1 299.396 1.545 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375599469 160395269 /nfs/dbraw/zinc/39/52/69/160395269.db2.gz UDICTMPHMOQFTE-QMMMGPOBSA-N 1 1 279.325 1.779 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccccc1 ZINC000359514593 158272870 /nfs/dbraw/zinc/27/28/70/158272870.db2.gz PJGRWAMSBBIXLW-LLVKDONJSA-N 1 1 276.296 1.152 20 5 CDBDMO C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020497580 171227369 /nfs/dbraw/zinc/22/73/69/171227369.db2.gz RIRJXZLYFUOMJD-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO Cn1cc[nH+]c1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000040639588 174363683 /nfs/dbraw/zinc/36/36/83/174363683.db2.gz KBJYYKPOZBULIP-UHFFFAOYSA-N 1 1 292.324 1.692 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000044537989 175199954 /nfs/dbraw/zinc/19/99/54/175199954.db2.gz WADNZQOQPWJWCH-SECBINFHSA-N 1 1 291.311 1.885 20 5 CDBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000268533579 274031251 /nfs/dbraw/zinc/03/12/51/274031251.db2.gz XUXSDEAXNMDZQM-NSHDSACASA-N 1 1 294.355 1.455 20 5 CDBDMO CC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048567869 276203426 /nfs/dbraw/zinc/20/34/26/276203426.db2.gz VASQRXMGVMEODE-UHFFFAOYSA-N 1 1 253.277 1.876 20 5 CDBDMO CC1(C)COCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000288072365 278353396 /nfs/dbraw/zinc/35/33/96/278353396.db2.gz VJWYYSRGUSMHLS-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO CC1(C)COCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000288072365 278353398 /nfs/dbraw/zinc/35/33/98/278353398.db2.gz VJWYYSRGUSMHLS-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408068338 288101659 /nfs/dbraw/zinc/10/16/59/288101659.db2.gz TWSBIOMFILGDTR-VHSXEESVSA-N 1 1 250.302 1.519 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000081555936 279245921 /nfs/dbraw/zinc/24/59/21/279245921.db2.gz WTVYRIFDGARKBL-UHFFFAOYSA-N 1 1 262.265 1.970 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000331072758 279384705 /nfs/dbraw/zinc/38/47/05/279384705.db2.gz SUENODBQFUPHRN-QMMMGPOBSA-N 1 1 269.305 1.368 20 5 CDBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522275312 281095912 /nfs/dbraw/zinc/09/59/12/281095912.db2.gz DLPNHDSBPXALTG-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522275312 281095914 /nfs/dbraw/zinc/09/59/14/281095914.db2.gz DLPNHDSBPXALTG-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO Cc1c(OCc2noc(C[NH3+])n2)cccc1[N+](=O)[O-] ZINC000311261533 289424457 /nfs/dbraw/zinc/42/44/57/289424457.db2.gz LQRNOEJAPRSPIT-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000569262177 294182965 /nfs/dbraw/zinc/18/29/65/294182965.db2.gz ZPOZQUCMIJDDPM-SNVBAGLBSA-N 1 1 295.343 1.122 20 5 CDBDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185850743 323398569 /nfs/dbraw/zinc/39/85/69/323398569.db2.gz YPQGWSQNBPPRQU-JSGCOSHPSA-N 1 1 296.371 1.807 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000584170970 327056520 /nfs/dbraw/zinc/05/65/20/327056520.db2.gz VBBBBALMSNQZGG-VXGBXAGGSA-N 1 1 286.715 1.752 20 5 CDBDMO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C)o1 ZINC000184662644 522740486 /nfs/dbraw/zinc/74/04/86/522740486.db2.gz XNAKCYVGQMWOLJ-NSHDSACASA-N 1 1 294.311 1.670 20 5 CDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000748346970 574518504 /nfs/dbraw/zinc/51/85/04/574518504.db2.gz TYYAAJFJCPLHBY-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000748346970 574518506 /nfs/dbraw/zinc/51/85/06/574518506.db2.gz TYYAAJFJCPLHBY-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC000773988635 575847079 /nfs/dbraw/zinc/84/70/79/575847079.db2.gz CVLLSXFPIHYQHA-GFCCVEGCSA-N 1 1 289.335 1.887 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC000773988635 575847081 /nfs/dbraw/zinc/84/70/81/575847081.db2.gz CVLLSXFPIHYQHA-GFCCVEGCSA-N 1 1 289.335 1.887 20 5 CDBDMO NC(=O)C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000754245789 576887267 /nfs/dbraw/zinc/88/72/67/576887267.db2.gz HZBIYSWNQQCHFD-UHFFFAOYSA-N 1 1 269.688 1.356 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH+](C)CC2)c1 ZINC000756120048 576978280 /nfs/dbraw/zinc/97/82/80/576978280.db2.gz LFAWJCRAGIARPE-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892730383 617673470 /nfs/dbraw/zinc/67/34/70/617673470.db2.gz HZPQUDOXUNTNOE-LLVKDONJSA-N 1 1 294.355 1.776 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000892301286 617722574 /nfs/dbraw/zinc/72/25/74/617722574.db2.gz XBYUTFDHGAIGLM-VIFPVBQESA-N 1 1 276.300 1.435 20 5 CDBDMO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)C[NH+]2CCC1CC2 ZINC000892800257 617767139 /nfs/dbraw/zinc/76/71/39/617767139.db2.gz NLJWKOMPXYYBQK-CYBMUJFWSA-N 1 1 295.364 1.870 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000891936594 617800439 /nfs/dbraw/zinc/80/04/39/617800439.db2.gz YIQUPPOOPJGVDI-JTQLQIEISA-N 1 1 282.296 1.530 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000891936594 617800442 /nfs/dbraw/zinc/80/04/42/617800442.db2.gz YIQUPPOOPJGVDI-JTQLQIEISA-N 1 1 282.296 1.530 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893719317 617970999 /nfs/dbraw/zinc/97/09/99/617970999.db2.gz LGLSTNUOMDGQHK-CQSZACIVSA-N 1 1 296.323 1.656 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924955495 618395142 /nfs/dbraw/zinc/39/51/42/618395142.db2.gz RJNSPKBFAYDMMF-GFCCVEGCSA-N 1 1 293.323 1.218 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CC[N@H+]2C)c1F ZINC000928554634 619361242 /nfs/dbraw/zinc/36/12/42/619361242.db2.gz IGKNALUHTQCDGB-MRVPVSSYSA-N 1 1 299.277 1.615 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CC[N@@H+]2C)c1F ZINC000928554634 619361244 /nfs/dbraw/zinc/36/12/44/619361244.db2.gz IGKNALUHTQCDGB-MRVPVSSYSA-N 1 1 299.277 1.615 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895928662 619907290 /nfs/dbraw/zinc/90/72/90/619907290.db2.gz ZKLVCVJJUCKMIY-PHIMTYICSA-N 1 1 294.307 1.387 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000897684795 621072844 /nfs/dbraw/zinc/07/28/44/621072844.db2.gz WXDYFCGMQXUSPT-BXKDBHETSA-N 1 1 294.307 1.179 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000897684795 621072846 /nfs/dbraw/zinc/07/28/46/621072846.db2.gz WXDYFCGMQXUSPT-BXKDBHETSA-N 1 1 294.307 1.179 20 5 CDBDMO CCc1cccc2c1OCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905089545 626605100 /nfs/dbraw/zinc/60/51/00/626605100.db2.gz NRXPDAWRONSBIG-GFCCVEGCSA-N 1 1 250.298 1.939 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000874122424 1165608662 /nfs/dbraw/zinc/60/86/62/1165608662.db2.gz ACDREVPCMDANRA-LBPRGKRZSA-N 1 1 291.351 1.893 20 5 CDBDMO CC[C@H](CO)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985569 739751391 /nfs/dbraw/zinc/75/13/91/739751391.db2.gz CAAGVDWZXOTJPA-WDEREUQCSA-N 1 1 280.328 1.247 20 5 CDBDMO C[N@H+](CCOc1ccccc1Cl)CC[N+](=O)[O-] ZINC000929095366 739808470 /nfs/dbraw/zinc/80/84/70/739808470.db2.gz BMFFSPDVTKRBLV-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO C[N@@H+](CCOc1ccccc1Cl)CC[N+](=O)[O-] ZINC000929095366 739808471 /nfs/dbraw/zinc/80/84/71/739808471.db2.gz BMFFSPDVTKRBLV-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886310052 739962697 /nfs/dbraw/zinc/96/26/97/739962697.db2.gz CJDSINMUURZSSV-LLVKDONJSA-N 1 1 265.313 1.583 20 5 CDBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886310052 739962705 /nfs/dbraw/zinc/96/27/05/739962705.db2.gz CJDSINMUURZSSV-LLVKDONJSA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968309 740654492 /nfs/dbraw/zinc/65/44/92/740654492.db2.gz JFSAWPUFIFVYIP-PWSUYJOCSA-N 1 1 278.356 1.970 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398844 740848910 /nfs/dbraw/zinc/84/89/10/740848910.db2.gz ILRZKRNKTYLOJA-RISCZKNCSA-N 1 1 291.351 1.909 20 5 CDBDMO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839716996 740873153 /nfs/dbraw/zinc/87/31/53/740873153.db2.gz FILBVAMLMSLUFB-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000881868883 740900792 /nfs/dbraw/zinc/90/07/92/740900792.db2.gz QVOYCANKLZYCOV-ZJUUUORDSA-N 1 1 296.302 1.404 20 5 CDBDMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635842 740910816 /nfs/dbraw/zinc/91/08/16/740910816.db2.gz AKILRWAUEKROHG-LNSITVRQSA-N 1 1 294.351 1.516 20 5 CDBDMO O=C(NC1CCCC1)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930508909 741053600 /nfs/dbraw/zinc/05/36/00/741053600.db2.gz FGGJNBWNKYOXCR-CYBMUJFWSA-N 1 1 299.371 1.786 20 5 CDBDMO O=C(NC1CCCC1)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930508909 741053603 /nfs/dbraw/zinc/05/36/03/741053603.db2.gz FGGJNBWNKYOXCR-CYBMUJFWSA-N 1 1 299.371 1.786 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000839728619 741116713 /nfs/dbraw/zinc/11/67/13/741116713.db2.gz QKTGCFCKDUVEQL-IGHBBLSQSA-N 1 1 291.351 1.459 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000090360445 742442277 /nfs/dbraw/zinc/44/22/77/742442277.db2.gz FTDREVBJOJPKIN-NSHDSACASA-N 1 1 281.268 1.460 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000090360445 742442286 /nfs/dbraw/zinc/44/22/86/742442286.db2.gz FTDREVBJOJPKIN-NSHDSACASA-N 1 1 281.268 1.460 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702884 739398375 /nfs/dbraw/zinc/39/83/75/739398375.db2.gz KHXFAXXLPSCICN-UGFHNGPFSA-N 1 1 294.351 1.579 20 5 CDBDMO C[C@@H](C[NH+](C)C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308565 739549170 /nfs/dbraw/zinc/54/91/70/739549170.db2.gz AYSDDDNCHZBCRA-GXFFZTMASA-N 1 1 267.329 1.168 20 5 CDBDMO COc1ccc([C@H](O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000930531705 739549413 /nfs/dbraw/zinc/54/94/13/739549413.db2.gz AHFYSHUFFWQBMA-HNNXBMFYSA-N 1 1 294.351 1.717 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1 ZINC000793959820 739798488 /nfs/dbraw/zinc/79/84/88/739798488.db2.gz YCLPMCVNUJYZLW-ZJUUUORDSA-N 1 1 279.296 1.212 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)n1 ZINC000886830304 739819465 /nfs/dbraw/zinc/81/94/65/739819465.db2.gz OQMGBGOBAWQPBL-NWDGAFQWSA-N 1 1 280.328 1.292 20 5 CDBDMO CCCC[N@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000068619817 740241529 /nfs/dbraw/zinc/24/15/29/740241529.db2.gz UMSQDKQJOBTXTP-UHFFFAOYSA-N 1 1 256.306 1.497 20 5 CDBDMO CCCC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])cn1 ZINC000068619817 740241535 /nfs/dbraw/zinc/24/15/35/740241535.db2.gz UMSQDKQJOBTXTP-UHFFFAOYSA-N 1 1 256.306 1.497 20 5 CDBDMO CC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000823316060 740293377 /nfs/dbraw/zinc/29/33/77/740293377.db2.gz WOEQANHEDUOSBR-UHFFFAOYSA-N 1 1 273.377 1.668 20 5 CDBDMO C[NH+](C)C1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819250745 740596224 /nfs/dbraw/zinc/59/62/24/740596224.db2.gz CDFPROCRIDNLQD-CQSZACIVSA-N 1 1 293.367 1.702 20 5 CDBDMO CCCC[N@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057186 740612107 /nfs/dbraw/zinc/61/21/07/740612107.db2.gz TZUUKLKQJTZOFP-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCC[N@@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057186 740612109 /nfs/dbraw/zinc/61/21/09/740612109.db2.gz TZUUKLKQJTZOFP-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886160030 740701382 /nfs/dbraw/zinc/70/13/82/740701382.db2.gz IJABQZZANBOSQW-CMPLNLGQSA-N 1 1 265.313 1.847 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886160030 740701391 /nfs/dbraw/zinc/70/13/91/740701391.db2.gz IJABQZZANBOSQW-CMPLNLGQSA-N 1 1 265.313 1.847 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000714028987 740753128 /nfs/dbraw/zinc/75/31/28/740753128.db2.gz INJALYPWZCIZGP-MFKMUULPSA-N 1 1 250.298 1.716 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171961513 741399822 /nfs/dbraw/zinc/39/98/22/741399822.db2.gz KQBHFSQHSNIEPM-JTQLQIEISA-N 1 1 295.314 1.692 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1O ZINC000253290539 741436179 /nfs/dbraw/zinc/43/61/79/741436179.db2.gz PWBRBHIHGUBREJ-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1O ZINC000253290539 741436183 /nfs/dbraw/zinc/43/61/83/741436183.db2.gz PWBRBHIHGUBREJ-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796641734 741783154 /nfs/dbraw/zinc/78/31/54/741783154.db2.gz WFMOGVMOZCJAKQ-GWCFXTLKSA-N 1 1 268.313 1.595 20 5 CDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000867953077 742301838 /nfs/dbraw/zinc/30/18/38/742301838.db2.gz MSQVTGCIFLYWGD-AWEZNQCLSA-N 1 1 277.324 1.780 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000882477091 742370449 /nfs/dbraw/zinc/37/04/49/742370449.db2.gz FTMYZYMTAYRTNN-LBPRGKRZSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000842615309 742595110 /nfs/dbraw/zinc/59/51/10/742595110.db2.gz LMQLQJWZPQLWGQ-DGCLKSJQSA-N 1 1 280.328 1.640 20 5 CDBDMO C[NH2+]Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223630 742737855 /nfs/dbraw/zinc/73/78/55/742737855.db2.gz SOTNMMCMZATLBB-UHFFFAOYSA-N 1 1 278.268 1.297 20 5 CDBDMO CCNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228994 912322127 /nfs/dbraw/zinc/32/21/27/912322127.db2.gz PHOFOVDAERGIOS-NSHDSACASA-N 1 1 279.340 1.594 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C1CC1 ZINC000690250488 913877256 /nfs/dbraw/zinc/87/72/56/913877256.db2.gz ULGLOIQNACNCKG-ZDUSSCGKSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001167278170 895022391 /nfs/dbraw/zinc/02/23/91/895022391.db2.gz AQWCWFBNPGXDRP-VIFPVBQESA-N 1 1 261.285 1.359 20 5 CDBDMO Cc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218230589 898491843 /nfs/dbraw/zinc/49/18/43/898491843.db2.gz BCADULBXPNHGEQ-SNVBAGLBSA-N 1 1 258.224 1.889 20 5 CDBDMO CO[C@@H]1CC[N@H+](CCOc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226010813 904617363 /nfs/dbraw/zinc/61/73/63/904617363.db2.gz WOXOKLIRWZDHCD-SNVBAGLBSA-N 1 1 284.287 1.833 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226010813 904617367 /nfs/dbraw/zinc/61/73/67/904617367.db2.gz WOXOKLIRWZDHCD-SNVBAGLBSA-N 1 1 284.287 1.833 20 5 CDBDMO O=C(NCC[NH2+]CCCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936287 909929233 /nfs/dbraw/zinc/92/92/33/909929233.db2.gz FDERVUNGXUKKIO-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO CC[C@@](N)(CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904302 912037561 /nfs/dbraw/zinc/03/75/61/912037561.db2.gz WURFJKGUFHUHFN-HIFRSBDPSA-N 1 1 293.367 1.489 20 5 CDBDMO CC(C)c1nc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168964749 927586128 /nfs/dbraw/zinc/58/61/28/927586128.db2.gz VRFRHRAEASTGNK-NXEZZACHSA-N 1 1 268.317 1.728 20 5 CDBDMO CCOC(=O)C(F)(F)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974646 927598960 /nfs/dbraw/zinc/59/89/60/927598960.db2.gz RQMXYTNRMNIAQW-IUCAKERBSA-N 1 1 280.271 1.220 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3ccnc3C2)C1 ZINC001169010087 927614819 /nfs/dbraw/zinc/61/48/19/927614819.db2.gz ATVOYGJUGYPCDU-MNOVXSKESA-N 1 1 250.302 1.144 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCn3ccnc3C2)C1 ZINC001169010087 927614825 /nfs/dbraw/zinc/61/48/25/927614825.db2.gz ATVOYGJUGYPCDU-MNOVXSKESA-N 1 1 250.302 1.144 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOCC23CCC3)C1 ZINC001169033926 927640477 /nfs/dbraw/zinc/64/04/77/927640477.db2.gz DUHNDWNNMUHZBA-NEPJUHHUSA-N 1 1 254.330 1.687 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042474 927656645 /nfs/dbraw/zinc/65/66/45/927656645.db2.gz DUWWLIUQYUNSBW-RDBSUJKOSA-N 1 1 291.351 1.980 20 5 CDBDMO O=C1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169052059 927668442 /nfs/dbraw/zinc/66/84/42/927668442.db2.gz FUMSUGLWXODJOD-JHJVBQTASA-N 1 1 281.356 1.129 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001156649527 928889781 /nfs/dbraw/zinc/88/97/81/928889781.db2.gz XQZYQWRQDSXXSX-LBPRGKRZSA-N 1 1 289.295 1.302 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001156660906 928897694 /nfs/dbraw/zinc/89/76/94/928897694.db2.gz VGTIFJMMGQMLGL-YFKPBYRVSA-N 1 1 289.748 1.516 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880232872 929636537 /nfs/dbraw/zinc/63/65/37/929636537.db2.gz FPIFFUQVYMSQSY-JTQLQIEISA-N 1 1 256.281 1.473 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)CCO ZINC000884825076 930638971 /nfs/dbraw/zinc/63/89/71/930638971.db2.gz DDKXJZPRTUOXGV-UHFFFAOYSA-N 1 1 281.312 1.133 20 5 CDBDMO CN(C)c1cc[nH+]c(N2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001116318668 937441863 /nfs/dbraw/zinc/44/18/63/937441863.db2.gz AOAZOJCHQLESNK-UHFFFAOYSA-N 1 1 285.307 1.971 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000930511590 933390318 /nfs/dbraw/zinc/39/03/18/933390318.db2.gz KXHDVNQYMNDMEM-ZDUSSCGKSA-N 1 1 261.325 1.400 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156927513 938435143 /nfs/dbraw/zinc/43/51/43/938435143.db2.gz ARMFXAKWCTUBCD-GFCCVEGCSA-N 1 1 294.355 1.905 20 5 CDBDMO CC(C)[NH+]1CC(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001157530148 938505095 /nfs/dbraw/zinc/50/50/95/938505095.db2.gz STPDFBPRPOMEQL-UHFFFAOYSA-N 1 1 251.290 1.077 20 5 CDBDMO O=C(NCCC[NH2+]Cc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767447 938543060 /nfs/dbraw/zinc/54/30/60/938543060.db2.gz NDBFASPKWWVTKN-GHMZBOCLSA-N 1 1 283.353 1.009 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)C1CC1 ZINC001158231878 938597634 /nfs/dbraw/zinc/59/76/34/938597634.db2.gz MCAMMXURYDAXFQ-UHFFFAOYSA-N 1 1 292.339 1.908 20 5 CDBDMO CCOc1nc(N2CC[N@H+]3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158433911 938625725 /nfs/dbraw/zinc/62/57/25/938625725.db2.gz PRTHSPIUIIGRDQ-JTQLQIEISA-N 1 1 278.312 1.283 20 5 CDBDMO CC(C)[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC001158495391 938629529 /nfs/dbraw/zinc/62/95/29/938629529.db2.gz OOVCFRSJCKKPIK-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1nc(Cl)nc(N2CC3(C2)C[NH+](C)C3)c1[N+](=O)[O-] ZINC001158859927 938671928 /nfs/dbraw/zinc/67/19/28/938671928.db2.gz RISXUAVMHDYCHN-UHFFFAOYSA-N 1 1 283.719 1.098 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001159787854 938753436 /nfs/dbraw/zinc/75/34/36/938753436.db2.gz CBCKEORTWISQBI-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO O=[N+]([O-])c1cccc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160726553 938820604 /nfs/dbraw/zinc/82/06/04/938820604.db2.gz ZNGCUMINLZGCOB-RYUDHWBXSA-N 1 1 292.339 1.655 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1N[C@H]1CN3CCC1CC3)C[NH2+]C2 ZINC001163392743 939261314 /nfs/dbraw/zinc/26/13/14/939261314.db2.gz DBHLQMVMYQOCMS-AWEZNQCLSA-N 1 1 288.351 1.704 20 5 CDBDMO COc1ncc([N+](=O)[O-])cc1NCCn1cc[nH+]c1C ZINC001163924334 939354035 /nfs/dbraw/zinc/35/40/35/939354035.db2.gz TUZZWVQTJMPMAK-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO O=C(NCCC1(C[NH2+]CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494545 939478919 /nfs/dbraw/zinc/47/89/19/939478919.db2.gz LPJKQXFNXVETPZ-CHWSQXEVSA-N 1 1 295.383 1.328 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c(N)n1 ZINC000312106822 941342332 /nfs/dbraw/zinc/34/23/32/941342332.db2.gz KNRBKMDZKFFVIK-UHFFFAOYSA-N 1 1 262.273 1.189 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](OCc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001222769509 941633024 /nfs/dbraw/zinc/63/30/24/941633024.db2.gz UZAXWZLNOILXDQ-CFVMTHIKSA-N 1 1 290.319 1.916 20 5 CDBDMO CC(C)[NH+]1CC(OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224110124 941721333 /nfs/dbraw/zinc/72/13/33/941721333.db2.gz ZZHZOSUANNVMPO-UHFFFAOYSA-N 1 1 251.286 1.599 20 5 CDBDMO O=[N+]([O-])C[C@H](OCCC[NH+]1CCOCC1)c1cccnc1 ZINC001224868847 941800613 /nfs/dbraw/zinc/80/06/13/941800613.db2.gz BMIDVDBKJOJUSH-AWEZNQCLSA-N 1 1 295.339 1.138 20 5 CDBDMO C[NH+]1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225488738 941868339 /nfs/dbraw/zinc/86/83/39/941868339.db2.gz KFNAKELSAJWWMZ-UHFFFAOYSA-N 1 1 252.270 1.773 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667688 941897140 /nfs/dbraw/zinc/89/71/40/941897140.db2.gz WTKRYFNCBRUGJO-SNVBAGLBSA-N 1 1 281.312 1.947 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709252 942054124 /nfs/dbraw/zinc/05/41/24/942054124.db2.gz HACAFDFNAYXTNE-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709252 942054128 /nfs/dbraw/zinc/05/41/28/942054128.db2.gz HACAFDFNAYXTNE-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C2 ZINC001229455164 942476674 /nfs/dbraw/zinc/47/66/74/942476674.db2.gz WKFCDBDDUDQMCH-URLYPYJESA-N 1 1 279.296 1.232 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233857640 943674675 /nfs/dbraw/zinc/67/46/75/943674675.db2.gz OFWVNKUSIROACI-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233857640 943674677 /nfs/dbraw/zinc/67/46/77/943674677.db2.gz OFWVNKUSIROACI-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)n1 ZINC001234880274 943965716 /nfs/dbraw/zinc/96/57/16/943965716.db2.gz ZWRCQDJRCDRYMS-QMMMGPOBSA-N 1 1 253.258 1.081 20 5 CDBDMO CCNC(=O)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599717 947550626 /nfs/dbraw/zinc/55/06/26/947550626.db2.gz PHSRCYWYTORDKC-CYBMUJFWSA-N 1 1 277.324 1.130 20 5 CDBDMO CCNC(=O)C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599717 947550634 /nfs/dbraw/zinc/55/06/34/947550634.db2.gz PHSRCYWYTORDKC-CYBMUJFWSA-N 1 1 277.324 1.130 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001327642993 954973240 /nfs/dbraw/zinc/97/32/40/954973240.db2.gz NHMWVCLTJBWHCJ-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272771 956075364 /nfs/dbraw/zinc/07/53/64/956075364.db2.gz DTGHULHSUXBTKX-RYUDHWBXSA-N 1 1 278.312 1.232 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001331891191 957317526 /nfs/dbraw/zinc/31/75/26/957317526.db2.gz RGLSGBFUTADCCX-UHFFFAOYSA-N 1 1 293.239 1.615 20 5 CDBDMO CC[C@H]1CN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001334782639 959359165 /nfs/dbraw/zinc/35/91/65/959359165.db2.gz AUWWZHOTXPADID-HNNXBMFYSA-N 1 1 277.368 1.860 20 5 CDBDMO C[NH+](C)C(C)(C)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335385191 959763155 /nfs/dbraw/zinc/76/31/55/959763155.db2.gz XNOBUEZYQVQTSH-ZDUSSCGKSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272441 967843906 /nfs/dbraw/zinc/84/39/06/967843906.db2.gz IKQDIKAMGRUMOE-OAHLLOKOSA-N 1 1 295.383 1.948 20 5 CDBDMO C[N@@H+]1CCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581499 969436265 /nfs/dbraw/zinc/43/62/65/969436265.db2.gz ARUOPYCGXPLHLE-IUODEOHRSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581499 969436268 /nfs/dbraw/zinc/43/62/68/969436268.db2.gz ARUOPYCGXPLHLE-IUODEOHRSA-N 1 1 293.367 1.560 20 5 CDBDMO CN1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581499 969436274 /nfs/dbraw/zinc/43/62/74/969436274.db2.gz ARUOPYCGXPLHLE-IUODEOHRSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[C@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601098972 342463834 /nfs/dbraw/zinc/46/38/34/342463834.db2.gz MLKNPZQSCHNNHJ-SECBINFHSA-N 1 1 261.281 1.748 20 5 CDBDMO CC(C)[C@@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601126181 342471592 /nfs/dbraw/zinc/47/15/92/342471592.db2.gz OEWPZSVGCYISAE-CQSZACIVSA-N 1 1 275.308 1.994 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000590872573 342604013 /nfs/dbraw/zinc/60/40/13/342604013.db2.gz SDSUMGQZGKCWIO-YPMHNXCESA-N 1 1 289.335 1.679 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591153156 342619780 /nfs/dbraw/zinc/61/97/80/342619780.db2.gz JDCMVKSJQDUBHF-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591153156 342619781 /nfs/dbraw/zinc/61/97/81/342619781.db2.gz JDCMVKSJQDUBHF-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO CCC[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812709 361869292 /nfs/dbraw/zinc/86/92/92/361869292.db2.gz SHMDXNXAUGXQDU-ZDUSSCGKSA-N 1 1 268.313 1.333 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000096948714 185138057 /nfs/dbraw/zinc/13/80/57/185138057.db2.gz LVWJVBMTTWHYNH-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO CCC[N@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000056510306 342236721 /nfs/dbraw/zinc/23/67/21/342236721.db2.gz ACCDWXUYHNGFSP-UHFFFAOYSA-N 1 1 279.340 1.895 20 5 CDBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000056510306 342236722 /nfs/dbraw/zinc/23/67/22/342236722.db2.gz ACCDWXUYHNGFSP-UHFFFAOYSA-N 1 1 279.340 1.895 20 5 CDBDMO Nc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602501 342924103 /nfs/dbraw/zinc/92/41/03/342924103.db2.gz QSXLDDZRHLMWMC-ZJUUUORDSA-N 1 1 292.343 1.226 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1[N+](=O)[O-] ZINC000595305687 343031170 /nfs/dbraw/zinc/03/11/70/343031170.db2.gz JAFAYDCZTAWORB-JTQLQIEISA-N 1 1 296.327 1.369 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1[N+](=O)[O-] ZINC000595305687 343031173 /nfs/dbraw/zinc/03/11/73/343031173.db2.gz JAFAYDCZTAWORB-JTQLQIEISA-N 1 1 296.327 1.369 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326841 343036182 /nfs/dbraw/zinc/03/61/82/343036182.db2.gz LXZMRZQELCCVMD-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326841 343036183 /nfs/dbraw/zinc/03/61/83/343036183.db2.gz LXZMRZQELCCVMD-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2c[nH]nn2)C2CC2)c1 ZINC000595352443 343046168 /nfs/dbraw/zinc/04/61/68/343046168.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 1 1 287.323 1.920 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCc2cn[nH]n2)C2CC2)c1 ZINC000595352443 343046169 /nfs/dbraw/zinc/04/61/69/343046169.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 1 1 287.323 1.920 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCc2cn[nH]n2)C2CC2)c1 ZINC000595352443 343046171 /nfs/dbraw/zinc/04/61/71/343046171.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 1 1 287.323 1.920 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782615 342317288 /nfs/dbraw/zinc/31/72/88/342317288.db2.gz LWGCJEDMXGNXMV-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000595545506 343083463 /nfs/dbraw/zinc/08/34/63/343083463.db2.gz INVOEEZCKGBFCO-LLVKDONJSA-N 1 1 283.328 1.876 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595499013 343077679 /nfs/dbraw/zinc/07/76/79/343077679.db2.gz JZYDEHSXVIPTNJ-NSHDSACASA-N 1 1 282.344 1.663 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994875 342332832 /nfs/dbraw/zinc/33/28/32/342332832.db2.gz VGAMVOZSVOKTER-UHFFFAOYSA-N 1 1 293.371 1.783 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595739846 343136393 /nfs/dbraw/zinc/13/63/93/343136393.db2.gz KVEBJRZQLBARGJ-TZMCWYRMSA-N 1 1 289.335 1.695 20 5 CDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596195668 343254556 /nfs/dbraw/zinc/25/45/56/343254556.db2.gz UBKULWPXMIEYSM-SNVBAGLBSA-N 1 1 283.353 1.486 20 5 CDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596195668 343254557 /nfs/dbraw/zinc/25/45/57/343254557.db2.gz UBKULWPXMIEYSM-SNVBAGLBSA-N 1 1 283.353 1.486 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000596268630 343280879 /nfs/dbraw/zinc/28/08/79/343280879.db2.gz KWJOEIHGNQPSMO-SECBINFHSA-N 1 1 270.358 1.972 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270962493 362177553 /nfs/dbraw/zinc/17/75/53/362177553.db2.gz XZOWYUOJBWZFDJ-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270962493 362177561 /nfs/dbraw/zinc/17/75/61/362177561.db2.gz XZOWYUOJBWZFDJ-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000601971435 344300427 /nfs/dbraw/zinc/30/04/27/344300427.db2.gz AWCZYBYJDFKVPP-AOOOYVTPSA-N 1 1 289.291 1.814 20 5 CDBDMO COC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602596989 344503417 /nfs/dbraw/zinc/50/34/17/344503417.db2.gz PHDGUEWPUODFRI-JTQLQIEISA-N 1 1 295.295 1.487 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802342 344592093 /nfs/dbraw/zinc/59/20/93/344592093.db2.gz ZGATXUIHIGEDBM-NWDGAFQWSA-N 1 1 295.387 1.514 20 5 CDBDMO Cc1ncsc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602778375 344594351 /nfs/dbraw/zinc/59/43/51/344594351.db2.gz XRHDYPVVTVUKHO-UHFFFAOYSA-N 1 1 295.368 1.997 20 5 CDBDMO Cc1ncsc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602778375 344594354 /nfs/dbraw/zinc/59/43/54/344594354.db2.gz XRHDYPVVTVUKHO-UHFFFAOYSA-N 1 1 295.368 1.997 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCCO)CC(C)(C)C ZINC000602776593 344578854 /nfs/dbraw/zinc/57/88/54/344578854.db2.gz VDPOKHCXMMTLBA-UHFFFAOYSA-N 1 1 298.387 1.830 20 5 CDBDMO C[C@@H]1C[N@H+](CCCNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000603845209 344838078 /nfs/dbraw/zinc/83/80/78/344838078.db2.gz LUIUKZDFJHCPHC-TXEJJXNPSA-N 1 1 294.355 1.901 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041515 362540187 /nfs/dbraw/zinc/54/01/87/362540187.db2.gz WBNSDNNKDMTSAT-OBJOEFQTSA-N 1 1 292.335 1.806 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293533673 362573678 /nfs/dbraw/zinc/57/36/78/362573678.db2.gz XFZWFPRBLXEWOL-AAEUAGOBSA-N 1 1 298.339 1.037 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454912 345544848 /nfs/dbraw/zinc/54/48/48/345544848.db2.gz NFBOEUOKSRIADV-DGCLKSJQSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057714485 347086808 /nfs/dbraw/zinc/08/68/08/347086808.db2.gz MNESGRMUZQKNOS-JTQLQIEISA-N 1 1 277.324 1.807 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000611116454 346612339 /nfs/dbraw/zinc/61/23/39/346612339.db2.gz QGNSSHHJZZUJSU-SNVBAGLBSA-N 1 1 273.296 1.717 20 5 CDBDMO CC[N@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249747 346719707 /nfs/dbraw/zinc/71/97/07/346719707.db2.gz RKYDVWYJXUDQDT-UHFFFAOYSA-N 1 1 282.296 1.180 20 5 CDBDMO CC[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249747 346719708 /nfs/dbraw/zinc/71/97/08/346719708.db2.gz RKYDVWYJXUDQDT-UHFFFAOYSA-N 1 1 282.296 1.180 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCOC1 ZINC000090517929 347742701 /nfs/dbraw/zinc/74/27/01/347742701.db2.gz MIWHUMNZCUOEFF-LBPRGKRZSA-N 1 1 295.339 1.115 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccco1 ZINC000054373442 347821129 /nfs/dbraw/zinc/82/11/29/347821129.db2.gz RRPKXKLVGQSPGS-LLVKDONJSA-N 1 1 292.295 1.549 20 5 CDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072795021 349133472 /nfs/dbraw/zinc/13/34/72/349133472.db2.gz XUPCBBGFCUFEDN-ZDUSSCGKSA-N 1 1 293.323 1.562 20 5 CDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072795021 349133474 /nfs/dbraw/zinc/13/34/74/349133474.db2.gz XUPCBBGFCUFEDN-ZDUSSCGKSA-N 1 1 293.323 1.562 20 5 CDBDMO C[C@H]1C[N@@H+](CCCNc2cccnc2[N+](=O)[O-])CCCO1 ZINC000617843296 349245700 /nfs/dbraw/zinc/24/57/00/349245700.db2.gz ZFSTYAHHIYGTFK-LBPRGKRZSA-N 1 1 294.355 1.903 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000090550810 180002615 /nfs/dbraw/zinc/00/26/15/180002615.db2.gz SBZDPONHHJPJGJ-UHFFFAOYSA-N 1 1 251.286 1.241 20 5 CDBDMO COCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000105832078 186076297 /nfs/dbraw/zinc/07/62/97/186076297.db2.gz ZBDWGIJFXHRZHM-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO COCC[N@@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312007905 350738439 /nfs/dbraw/zinc/73/84/39/350738439.db2.gz QYHRGWSEEUFVQY-UHFFFAOYSA-N 1 1 288.735 1.633 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271652145 191260757 /nfs/dbraw/zinc/26/07/57/191260757.db2.gz SFHJRRVXKQBNBB-CYBMUJFWSA-N 1 1 292.339 1.347 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152732854 188039830 /nfs/dbraw/zinc/03/98/30/188039830.db2.gz JAVQRZUMNJCRRV-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)O ZINC000156344976 188256778 /nfs/dbraw/zinc/25/67/78/188256778.db2.gz SJGRGBRDGQIGKH-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)O ZINC000156344837 188257205 /nfs/dbraw/zinc/25/72/05/188257205.db2.gz SJGRGBRDGQIGKH-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000286406428 356292077 /nfs/dbraw/zinc/29/20/77/356292077.db2.gz PYTORMJZGHIABJ-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273652497 192247527 /nfs/dbraw/zinc/24/75/27/192247527.db2.gz UUALKTXWAWTUDC-NSHDSACASA-N 1 1 279.344 1.917 20 5 CDBDMO C[N@H+](CCc1ccncc1)CCn1cc([N+](=O)[O-])cn1 ZINC000181458085 357349442 /nfs/dbraw/zinc/34/94/42/357349442.db2.gz QVFBKWMMCRUWGF-UHFFFAOYSA-N 1 1 275.312 1.361 20 5 CDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000264559731 357378877 /nfs/dbraw/zinc/37/88/77/357378877.db2.gz NCDHLMVINOROGH-VIFPVBQESA-N 1 1 295.343 1.094 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186732992 357681350 /nfs/dbraw/zinc/68/13/50/357681350.db2.gz RCORIVUUPBPLLV-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294343494 199005449 /nfs/dbraw/zinc/00/54/49/199005449.db2.gz LIVLAWMLKXZZAM-LLVKDONJSA-N 1 1 297.355 1.834 20 5 CDBDMO CCc1[nH]nc(C(=O)N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000192934312 358250632 /nfs/dbraw/zinc/25/06/32/358250632.db2.gz WVJPJODZRYCKKD-UHFFFAOYSA-N 1 1 297.359 1.294 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000290780800 358374104 /nfs/dbraw/zinc/37/41/04/358374104.db2.gz MWIRFZMGFUZSIA-SNVBAGLBSA-N 1 1 284.287 1.568 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595403536 358644746 /nfs/dbraw/zinc/64/47/46/358644746.db2.gz CNMLKPXCYCHULH-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595403534 358644775 /nfs/dbraw/zinc/64/47/75/358644775.db2.gz CNMLKPXCYCHULH-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000104114068 358946837 /nfs/dbraw/zinc/94/68/37/358946837.db2.gz CTEFEGRRGDRSSO-JTQLQIEISA-N 1 1 278.312 1.668 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000267177271 358994089 /nfs/dbraw/zinc/99/40/89/358994089.db2.gz XFLGVDOFHMVLAN-UHFFFAOYSA-N 1 1 295.339 1.626 20 5 CDBDMO CCCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338384818 359126088 /nfs/dbraw/zinc/12/60/88/359126088.db2.gz ZPLQFFGBFPHXKE-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339009761 359273069 /nfs/dbraw/zinc/27/30/69/359273069.db2.gz IRXLEJPBCZITLF-LLVKDONJSA-N 1 1 252.270 1.521 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339009761 359273074 /nfs/dbraw/zinc/27/30/74/359273074.db2.gz IRXLEJPBCZITLF-LLVKDONJSA-N 1 1 252.270 1.521 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000134258959 359451454 /nfs/dbraw/zinc/45/14/54/359451454.db2.gz KWTPZUDLZQQZSH-VIFPVBQESA-N 1 1 295.314 1.946 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000339775144 359438507 /nfs/dbraw/zinc/43/85/07/359438507.db2.gz DWCBMCFGGQWGFE-CYBMUJFWSA-N 1 1 280.324 1.950 20 5 CDBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])NCC(F)(F)F ZINC000050015730 359561741 /nfs/dbraw/zinc/56/17/41/359561741.db2.gz WULJYJJBLJJBEQ-UHFFFAOYSA-N 1 1 291.229 1.363 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001348 /nfs/dbraw/zinc/00/13/48/361001348.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001351 /nfs/dbraw/zinc/00/13/51/361001351.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001355 /nfs/dbraw/zinc/00/13/55/361001355.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001359 /nfs/dbraw/zinc/00/13/59/361001359.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408439667 361001364 /nfs/dbraw/zinc/00/13/64/361001364.db2.gz UDLRZBQAFBKKLN-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408443810 361035159 /nfs/dbraw/zinc/03/51/59/361035159.db2.gz RFNUDBQCMJMZNK-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408443810 361035163 /nfs/dbraw/zinc/03/51/63/361035163.db2.gz RFNUDBQCMJMZNK-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000080611191 361314194 /nfs/dbraw/zinc/31/41/94/361314194.db2.gz GKLLQJZHTZACIN-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000301435504 201008856 /nfs/dbraw/zinc/00/88/56/201008856.db2.gz JKFHGBKVQTUNMI-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO Cc1nc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301671193 201127560 /nfs/dbraw/zinc/12/75/60/201127560.db2.gz QMVNKSIDGOQIIJ-LLVKDONJSA-N 1 1 294.355 1.678 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270911235 366942724 /nfs/dbraw/zinc/94/27/24/366942724.db2.gz LXHFHYMOABZIEO-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO CC(C)OCCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270591857 366906692 /nfs/dbraw/zinc/90/66/92/366906692.db2.gz SZOFAUBTTVBKGE-UHFFFAOYSA-N 1 1 297.355 1.503 20 5 CDBDMO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270819972 366935842 /nfs/dbraw/zinc/93/58/42/366935842.db2.gz YIEWQWMBCXLAHZ-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270819972 366935849 /nfs/dbraw/zinc/93/58/49/366935849.db2.gz YIEWQWMBCXLAHZ-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC000094774509 366996635 /nfs/dbraw/zinc/99/66/35/366996635.db2.gz MMXXSLYBOVWRHC-SNVBAGLBSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC000094774509 366996639 /nfs/dbraw/zinc/99/66/39/366996639.db2.gz MMXXSLYBOVWRHC-SNVBAGLBSA-N 1 1 254.261 1.691 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000414643420 241293693 /nfs/dbraw/zinc/29/36/93/241293693.db2.gz MVMHXTUPJYTABI-UHFFFAOYSA-N 1 1 278.224 1.093 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000275259738 367027177 /nfs/dbraw/zinc/02/71/77/367027177.db2.gz RAPHUBJLBXCICM-VMPITWQZSA-N 1 1 289.335 1.817 20 5 CDBDMO CCC[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441272670 368878943 /nfs/dbraw/zinc/87/89/43/368878943.db2.gz AOYDWPCPNRDFSF-ZDUSSCGKSA-N 1 1 284.360 1.520 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630080 244294334 /nfs/dbraw/zinc/29/43/34/244294334.db2.gz DHLWTXYCOACSJB-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO [NH3+]CC(F)(F)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414924985 370339858 /nfs/dbraw/zinc/33/98/58/370339858.db2.gz HFMLJEOTZFLFJN-UHFFFAOYSA-N 1 1 279.674 1.932 20 5 CDBDMO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000089183659 370394959 /nfs/dbraw/zinc/39/49/59/370394959.db2.gz BBFVVJXLAIWBOG-UHFFFAOYSA-N 1 1 260.297 1.927 20 5 CDBDMO COCCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194017574 372797799 /nfs/dbraw/zinc/79/77/99/372797799.db2.gz YZZGQJUPDHXSDV-UHFFFAOYSA-N 1 1 293.367 1.401 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+](C)CCOC ZINC000192494187 373609600 /nfs/dbraw/zinc/60/96/00/373609600.db2.gz QKNJYMLNWCZONR-UHFFFAOYSA-N 1 1 299.375 1.500 20 5 CDBDMO CC(C)(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000133940823 374016287 /nfs/dbraw/zinc/01/62/87/374016287.db2.gz GXHBVDUNGIWQID-UHFFFAOYSA-N 1 1 295.339 1.559 20 5 CDBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000091559428 374040611 /nfs/dbraw/zinc/04/06/11/374040611.db2.gz LKGZXWVRJDFHLT-SNVBAGLBSA-N 1 1 281.360 1.787 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000311662393 374261152 /nfs/dbraw/zinc/26/11/52/374261152.db2.gz GORUHNFOZMKFHD-JTQLQIEISA-N 1 1 267.304 1.870 20 5 CDBDMO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000296116784 374287025 /nfs/dbraw/zinc/28/70/25/374287025.db2.gz VRQIEJYCJWIMAM-FGWVZKOKSA-N 1 1 277.328 1.730 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368571203 374316932 /nfs/dbraw/zinc/31/69/32/374316932.db2.gz DGIILAKENVXQTL-JTQLQIEISA-N 1 1 281.287 1.431 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299085967 374381564 /nfs/dbraw/zinc/38/15/64/374381564.db2.gz GALWXJHEQSPAJG-VIFPVBQESA-N 1 1 278.312 1.137 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCN1C ZINC000423507178 374385795 /nfs/dbraw/zinc/38/57/95/374385795.db2.gz HTFBPFRNYOUJMQ-GXTWGEPZSA-N 1 1 292.383 1.019 20 5 CDBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000093311793 374741802 /nfs/dbraw/zinc/74/18/02/374741802.db2.gz RCNBOJCIAKGKCY-LLVKDONJSA-N 1 1 295.339 1.890 20 5 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/nfs/dbraw/zinc/72/38/30/525723830.db2.gz BEBAGZMBHNTAEF-CQSZACIVSA-N 1 1 292.383 1.239 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000365832213 527407109 /nfs/dbraw/zinc/40/71/09/527407109.db2.gz BXEHOKKEXKDHLO-LLVKDONJSA-N 1 1 276.296 1.874 20 5 CDBDMO COC1CCC([N@@H+](C)Cn2nccc2[N+](=O)[O-])CC1 ZINC000734475091 575350286 /nfs/dbraw/zinc/35/02/86/575350286.db2.gz JDQNQHCVKJUQFT-UHFFFAOYSA-N 1 1 268.317 1.638 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876589 576440303 /nfs/dbraw/zinc/44/03/03/576440303.db2.gz MCIGHZHENBCFNX-ZDUSSCGKSA-N 1 1 280.324 1.475 20 5 CDBDMO COC1CCC([N@H+](C)Cn2nccc2[N+](=O)[O-])CC1 ZINC000734475091 575350284 /nfs/dbraw/zinc/35/02/84/575350284.db2.gz JDQNQHCVKJUQFT-UHFFFAOYSA-N 1 1 268.317 1.638 20 5 CDBDMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000768774546 576307666 /nfs/dbraw/zinc/30/76/66/576307666.db2.gz VESSYSFSXLBABD-XUJVJEKNSA-N 1 1 293.367 1.653 20 5 CDBDMO 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CC(C)(CCc1noc(C[NH2+]C[C@H]2CCCO2)n1)[N+](=O)[O-] ZINC000843234560 746312486 /nfs/dbraw/zinc/31/24/86/746312486.db2.gz VJROTRIZEAXGQV-SNVBAGLBSA-N 1 1 298.343 1.326 20 5 CDBDMO CC(C)([NH2+]CC[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000930555914 746427328 /nfs/dbraw/zinc/42/73/28/746427328.db2.gz YBQWMYPBOJHWQK-UHFFFAOYSA-N 1 1 253.258 1.696 20 5 CDBDMO CC(C)C1(O)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000089677080 746664542 /nfs/dbraw/zinc/66/45/42/746664542.db2.gz RIGVQIWSQWKMEM-UHFFFAOYSA-N 1 1 264.325 1.840 20 5 CDBDMO CN1CCN(Cc2cccnc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000886091841 746690356 /nfs/dbraw/zinc/69/03/56/746690356.db2.gz HRTJPAZLMDGQQD-UHFFFAOYSA-N 1 1 285.307 1.841 20 5 CDBDMO COCC(COC)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929166054 746880981 /nfs/dbraw/zinc/88/09/81/746880981.db2.gz ZXOVGPOQGDFDQF-UHFFFAOYSA-N 1 1 268.313 1.688 20 5 CDBDMO COCC(COC)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000929166054 746880982 /nfs/dbraw/zinc/88/09/82/746880982.db2.gz ZXOVGPOQGDFDQF-UHFFFAOYSA-N 1 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CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767803 938542820 /nfs/dbraw/zinc/54/28/20/938542820.db2.gz VGYNNUGHRPLNQH-VXGBXAGGSA-N 1 1 271.361 1.184 20 5 CDBDMO O=C(NCCC[NH2+]CCC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157774847 938544054 /nfs/dbraw/zinc/54/40/54/938544054.db2.gz CYGKWKCMNWFQOM-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO C[N@@H+](C1CN(c2ncc(F)cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725195 938657209 /nfs/dbraw/zinc/65/72/09/938657209.db2.gz FXOKWQYCHISFDS-JTQLQIEISA-N 1 1 296.302 1.038 20 5 CDBDMO O=[N+]([O-])c1cccc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160726551 938820961 /nfs/dbraw/zinc/82/09/61/938820961.db2.gz ZNGCUMINLZGCOB-NWDGAFQWSA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001162340567 939031441 /nfs/dbraw/zinc/03/14/41/939031441.db2.gz FFVUMHVRJHNALZ-GFCCVEGCSA-N 1 1 295.299 1.794 20 5 CDBDMO CN(CC1COC1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166948708 939657080 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Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331760443 957247742 /nfs/dbraw/zinc/24/77/42/957247742.db2.gz VXSGTHMUCUBDKK-OLZOCXBDSA-N 1 1 294.355 1.601 20 5 CDBDMO CC[C@@H]1CN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001334782640 959359626 /nfs/dbraw/zinc/35/96/26/959359626.db2.gz AUWWZHOTXPADID-OAHLLOKOSA-N 1 1 277.368 1.860 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608470 962448672 /nfs/dbraw/zinc/44/86/72/962448672.db2.gz BWDXMRJTZWIUBM-KWQFWETISA-N 1 1 277.328 1.467 20 5 CDBDMO CC[N@H+]1CCCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001341769155 963537174 /nfs/dbraw/zinc/53/71/74/963537174.db2.gz KNRRYCSWEXLREO-UHFFFAOYSA-N 1 1 264.329 1.830 20 5 CDBDMO C[C@H](CC[NH+]1CCCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001345534424 964734213 /nfs/dbraw/zinc/73/42/13/964734213.db2.gz PUHXHQIHAABOQZ-GMTAPVOTSA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001349863703 966502870 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UKRXWVGTGIJBHS-ZDUSSCGKSA-N 1 1 282.365 1.895 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000330625942 203055395 /nfs/dbraw/zinc/05/53/95/203055395.db2.gz UKRXWVGTGIJBHS-ZDUSSCGKSA-N 1 1 282.365 1.895 20 5 CDBDMO [NH3+]CCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420352798 244127522 /nfs/dbraw/zinc/12/75/22/244127522.db2.gz ATLRAPQPMIOMHW-UHFFFAOYSA-N 1 1 279.340 1.535 20 5 CDBDMO Cc1cnc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420637560 244303051 /nfs/dbraw/zinc/30/30/51/244303051.db2.gz OYJLVAAVVQIXKK-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO Cc1nn(C)c(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000301304549 373504665 /nfs/dbraw/zinc/50/46/65/373504665.db2.gz SZYHFSCQVPBFGM-LLVKDONJSA-N 1 1 281.360 1.415 20 5 CDBDMO CC[C@@H](NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523854 374387881 /nfs/dbraw/zinc/38/78/81/374387881.db2.gz NUJZHNCRLJXNHQ-UONOGXRCSA-N 1 1 279.340 1.624 20 5 CDBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000429121837 374569559 /nfs/dbraw/zinc/56/95/59/374569559.db2.gz NBDHQESRCIISOJ-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274616911 374677461 /nfs/dbraw/zinc/67/74/61/374677461.db2.gz QLEGOOHJJNRGFA-OUAUKWLOSA-N 1 1 266.297 1.083 20 5 CDBDMO CCC[NH2+]CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154567315 374713704 /nfs/dbraw/zinc/71/37/04/374713704.db2.gz GXLJAFQDBHDCHK-UHFFFAOYSA-N 1 1 291.311 1.201 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332291139 375023866 /nfs/dbraw/zinc/02/38/66/375023866.db2.gz YAWIKMNGZQYAJO-GJZGRUSLSA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000332291139 375023869 /nfs/dbraw/zinc/02/38/69/375023869.db2.gz YAWIKMNGZQYAJO-GJZGRUSLSA-N 1 1 291.351 1.418 20 5 CDBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332685315 375042156 /nfs/dbraw/zinc/04/21/56/375042156.db2.gz UKKFENGVTVILCS-ZDUSSCGKSA-N 1 1 282.344 1.455 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC(O)C1 ZINC000332479415 375033717 /nfs/dbraw/zinc/03/37/17/375033717.db2.gz UYYWBSKSNVNSBC-UHFFFAOYSA-N 1 1 254.261 1.689 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC(O)C1 ZINC000332479415 375033725 /nfs/dbraw/zinc/03/37/25/375033725.db2.gz UYYWBSKSNVNSBC-UHFFFAOYSA-N 1 1 254.261 1.689 20 5 CDBDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332681876 375042830 /nfs/dbraw/zinc/04/28/30/375042830.db2.gz SYWBFPBYTKJSRA-AWEZNQCLSA-N 1 1 296.371 1.701 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746424 375503724 /nfs/dbraw/zinc/50/37/24/375503724.db2.gz PHQBKLXCQYAFMM-JQWIXIFHSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119446 375553531 /nfs/dbraw/zinc/55/35/31/375553531.db2.gz JBWQGRZLTJGYPC-MFKMUULPSA-N 1 1 267.329 1.168 20 5 CDBDMO Cc1[nH+]ccn1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030697838 375652819 /nfs/dbraw/zinc/65/28/19/375652819.db2.gz ZXFGAGPYFATLNA-UHFFFAOYSA-N 1 1 260.253 1.247 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000133212761 375721767 /nfs/dbraw/zinc/72/17/67/375721767.db2.gz RJUWUDRUNDGBNF-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728714 375746287 /nfs/dbraw/zinc/74/62/87/375746287.db2.gz IHLWJUSZDZHNPE-NEPJUHHUSA-N 1 1 294.355 1.637 20 5 CDBDMO Cc1cnc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000231138101 376317243 /nfs/dbraw/zinc/31/72/43/376317243.db2.gz GLHUXGINJAAMMB-SNVBAGLBSA-N 1 1 250.302 1.804 20 5 CDBDMO Cc1[nH+]ccn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040142310 377791471 /nfs/dbraw/zinc/79/14/71/377791471.db2.gz LURGTIIUCFDIKQ-LBPRGKRZSA-N 1 1 277.280 1.540 20 5 CDBDMO C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174650990 379548218 /nfs/dbraw/zinc/54/82/18/379548218.db2.gz BIFXOMPCFCOMSN-JQWIXIFHSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036262 379605320 /nfs/dbraw/zinc/60/53/20/379605320.db2.gz CEGCWWQPIDATTI-WDEREUQCSA-N 1 1 268.317 1.027 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450599530 251359670 /nfs/dbraw/zinc/35/96/70/251359670.db2.gz SLYBAFNIGMGUGB-LLVKDONJSA-N 1 1 297.330 1.993 20 5 CDBDMO COCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000289027756 197217278 /nfs/dbraw/zinc/21/72/78/197217278.db2.gz OLUJVUDFPKVORM-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000289027756 197217280 /nfs/dbraw/zinc/21/72/80/197217280.db2.gz OLUJVUDFPKVORM-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000281385090 195219826 /nfs/dbraw/zinc/21/98/26/195219826.db2.gz MNPBSXICBASXFF-ZDUSSCGKSA-N 1 1 295.339 1.257 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCC1 ZINC000282343542 195581280 /nfs/dbraw/zinc/58/12/80/195581280.db2.gz CAPBINSVDHYDFA-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCC1 ZINC000282343542 195581282 /nfs/dbraw/zinc/58/12/82/195581282.db2.gz CAPBINSVDHYDFA-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000363446167 390903080 /nfs/dbraw/zinc/90/30/80/390903080.db2.gz HEEJELHZURWQLH-AWEZNQCLSA-N 1 1 291.351 1.814 20 5 CDBDMO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000517069689 390968269 /nfs/dbraw/zinc/96/82/69/390968269.db2.gz DBVVOLZZCUQRER-BXKDBHETSA-N 1 1 282.296 1.576 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000413435735 391214181 /nfs/dbraw/zinc/21/41/81/391214181.db2.gz HRRJMVREWOOOJT-NSHDSACASA-N 1 1 264.329 1.556 20 5 CDBDMO CC(C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292187642 391531918 /nfs/dbraw/zinc/53/19/18/391531918.db2.gz RCKKGFKUPKRBLA-UHFFFAOYSA-N 1 1 279.340 1.944 20 5 CDBDMO CCCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048574155 391629315 /nfs/dbraw/zinc/62/93/15/391629315.db2.gz ZAVVBVLFOMLLFK-UHFFFAOYSA-N 1 1 279.340 1.725 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CO)C2)c1 ZINC000265918135 391653671 /nfs/dbraw/zinc/65/36/71/391653671.db2.gz XPGMPIOUBYXCAF-NSHDSACASA-N 1 1 266.297 1.288 20 5 CDBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686178 130007855 /nfs/dbraw/zinc/00/78/55/130007855.db2.gz FHQYKKMKCIQUDW-UHFFFAOYSA-N 1 1 260.319 1.041 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CC2(CO)COC2)C2CC2)c1 ZINC000305139615 391899715 /nfs/dbraw/zinc/89/97/15/391899715.db2.gz LWMZSPHRCSIRCD-UHFFFAOYSA-N 1 1 292.335 1.568 20 5 CDBDMO CN1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000495724292 391914113 /nfs/dbraw/zinc/91/41/13/391914113.db2.gz BCPFTHGMVFYWRL-CYBMUJFWSA-N 1 1 293.323 1.520 20 5 CDBDMO CC(C)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192460962 392077956 /nfs/dbraw/zinc/07/79/56/392077956.db2.gz CPFGQNZVUDSZRS-SECBINFHSA-N 1 1 270.358 1.828 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192460962 392077961 /nfs/dbraw/zinc/07/79/61/392077961.db2.gz CPFGQNZVUDSZRS-SECBINFHSA-N 1 1 270.358 1.828 20 5 CDBDMO CO[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000488030816 392064734 /nfs/dbraw/zinc/06/47/34/392064734.db2.gz ZVXRNKGAEMZHIS-CHWSQXEVSA-N 1 1 266.297 1.440 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421395777 392935116 /nfs/dbraw/zinc/93/51/16/392935116.db2.gz VLOORMJZLHPDOZ-KXQLTZBTSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421395777 392935118 /nfs/dbraw/zinc/93/51/18/392935118.db2.gz VLOORMJZLHPDOZ-KXQLTZBTSA-N 1 1 289.335 1.818 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708212 392942126 /nfs/dbraw/zinc/94/21/26/392942126.db2.gz ZSORRPGNMAGQMD-CYBMUJFWSA-N 1 1 277.324 1.761 20 5 CDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000269310981 132153337 /nfs/dbraw/zinc/15/33/37/132153337.db2.gz YOKGJCNTMIFJSL-UHFFFAOYSA-N 1 1 293.323 1.467 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000430199667 393091100 /nfs/dbraw/zinc/09/11/00/393091100.db2.gz DDLUOEUAJGZLOY-GDLCADMTSA-N 1 1 292.335 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000430221500 393092460 /nfs/dbraw/zinc/09/24/60/393092460.db2.gz RHBIOKJIPQNTBX-MNOVXSKESA-N 1 1 280.324 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000430208025 393093502 /nfs/dbraw/zinc/09/35/02/393093502.db2.gz OGWSOODVBBJOKO-LLVKDONJSA-N 1 1 252.270 1.170 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000430208025 393093508 /nfs/dbraw/zinc/09/35/08/393093508.db2.gz OGWSOODVBBJOKO-LLVKDONJSA-N 1 1 252.270 1.170 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCOC1 ZINC000430220765 393093650 /nfs/dbraw/zinc/09/36/50/393093650.db2.gz QAULXDAQAMUBNJ-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000430220765 393093655 /nfs/dbraw/zinc/09/36/55/393093655.db2.gz QAULXDAQAMUBNJ-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COCC[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116391469 393041962 /nfs/dbraw/zinc/04/19/62/393041962.db2.gz FRHGJBWSHIODOU-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116391469 393041967 /nfs/dbraw/zinc/04/19/67/393041967.db2.gz FRHGJBWSHIODOU-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449572194 393135282 /nfs/dbraw/zinc/13/52/82/393135282.db2.gz IWIPOWDATLLOIK-CYBMUJFWSA-N 1 1 299.277 1.508 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC(N)=O ZINC000353192021 393236589 /nfs/dbraw/zinc/23/65/89/393236589.db2.gz ADZXFEFJVXWAHT-JTQLQIEISA-N 1 1 265.313 1.771 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261660834 140370560 /nfs/dbraw/zinc/37/05/60/140370560.db2.gz ZEBYJHSQLAOUSM-IACUBPJLSA-N 1 1 261.325 1.764 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352697644 155374933 /nfs/dbraw/zinc/37/49/33/155374933.db2.gz LQHVGLBALJWPFJ-KGLIPLIRSA-N 1 1 280.324 1.819 20 5 CDBDMO Cc1ccn(Cc2cn3ccccc3[nH+]2)c(=O)c1[N+](=O)[O-] ZINC000348873057 154000706 /nfs/dbraw/zinc/00/07/06/154000706.db2.gz VHCNYGAZCZLKRH-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO Cc1ccc(C[N@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000355375057 157013058 /nfs/dbraw/zinc/01/30/58/157013058.db2.gz YWNZMJWDCLDGEN-UHFFFAOYSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362086139 159065333 /nfs/dbraw/zinc/06/53/33/159065333.db2.gz IEEOCHHDEBDUGS-RYUDHWBXSA-N 1 1 280.324 1.534 20 5 CDBDMO O=[N+]([O-])c1cnc(NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000374494102 160290488 /nfs/dbraw/zinc/29/04/88/160290488.db2.gz BKPNWFDNQYPXKJ-UHFFFAOYSA-N 1 1 293.352 1.661 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285441773 196286095 /nfs/dbraw/zinc/28/60/95/196286095.db2.gz IJBIIIVFEVOCHB-UHFFFAOYSA-N 1 1 266.297 1.430 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285548309 196323360 /nfs/dbraw/zinc/32/33/60/196323360.db2.gz DTLZREFKTAXPHD-SNVBAGLBSA-N 1 1 295.343 1.026 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408114321 274334356 /nfs/dbraw/zinc/33/43/56/274334356.db2.gz XAPAOJYUYSWKPN-MRVPVSSYSA-N 1 1 281.341 1.444 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1C[NH2+]CCO1)CCC2 ZINC000423543170 275038292 /nfs/dbraw/zinc/03/82/92/275038292.db2.gz BOIFUCFWTUPEJA-DZGCQCFKSA-N 1 1 291.351 1.550 20 5 CDBDMO CCOCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000105790887 276323809 /nfs/dbraw/zinc/32/38/09/276323809.db2.gz FNGAQPDTRSQHNK-UHFFFAOYSA-N 1 1 280.328 1.148 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292225326 277186157 /nfs/dbraw/zinc/18/61/57/277186157.db2.gz IITPAMVAVIAHQP-AWEZNQCLSA-N 1 1 276.340 1.709 20 5 CDBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000287790198 278389919 /nfs/dbraw/zinc/38/99/19/278389919.db2.gz IVXFNMIAHGDSMN-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292732617 288281458 /nfs/dbraw/zinc/28/14/58/288281458.db2.gz IEYVNZVLBXYDGP-AOOOYVTPSA-N 1 1 250.302 1.519 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)c1 ZINC000084726732 281012268 /nfs/dbraw/zinc/01/22/68/281012268.db2.gz BDDWTCIFPCOGJP-UHFFFAOYSA-N 1 1 265.313 1.018 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459697221 281022786 /nfs/dbraw/zinc/02/27/86/281022786.db2.gz YIYHTFIFBJFKGK-MJVIPROJSA-N 1 1 280.324 1.249 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005994 289349494 /nfs/dbraw/zinc/34/94/94/289349494.db2.gz SKUWGGLMQNMROZ-HJWRWDBZSA-N 1 1 277.324 1.676 20 5 CDBDMO Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789479 294307560 /nfs/dbraw/zinc/30/75/60/294307560.db2.gz STPKECRRHGTNAF-SNVBAGLBSA-N 1 1 277.328 1.011 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CN(C(C)=O)C1 ZINC000570985828 294347874 /nfs/dbraw/zinc/34/78/74/294347874.db2.gz PXOPYRMLSIZBTL-UHFFFAOYSA-N 1 1 293.323 1.314 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762486 325038069 /nfs/dbraw/zinc/03/80/69/325038069.db2.gz JYTJWLRCFMAXCC-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000338436791 521072369 /nfs/dbraw/zinc/07/23/69/521072369.db2.gz NOKLJKUDFLJORZ-UHFFFAOYSA-N 1 1 280.328 1.147 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000050770038 522643402 /nfs/dbraw/zinc/64/34/02/522643402.db2.gz UPLKMOANXBYMME-JTQLQIEISA-N 1 1 292.339 1.318 20 5 CDBDMO Cc1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337297737 526164388 /nfs/dbraw/zinc/16/43/88/526164388.db2.gz SXSFPNMHGQVBPW-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000749695231 576958316 /nfs/dbraw/zinc/95/83/16/576958316.db2.gz YSVAGRPIBPNONN-SMDDNHRTSA-N 1 1 279.340 1.264 20 5 CDBDMO Cc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000756994014 577019241 /nfs/dbraw/zinc/01/92/41/577019241.db2.gz JPTAQDQYAAVHRF-ZDUSSCGKSA-N 1 1 290.323 1.460 20 5 CDBDMO O=[N+]([O-])c1c2nonc2ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000892000493 617398955 /nfs/dbraw/zinc/39/89/55/617398955.db2.gz QSMPYQKHXNJOLL-QMMMGPOBSA-N 1 1 289.295 1.780 20 5 CDBDMO CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963790220 614879702 /nfs/dbraw/zinc/87/97/02/614879702.db2.gz GUEADRGDAQIODZ-VTRUDKGBSA-N 1 1 281.356 1.079 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782605756 618366411 /nfs/dbraw/zinc/36/64/11/618366411.db2.gz QNCBYJRZPZSDHZ-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782605756 618366422 /nfs/dbraw/zinc/36/64/22/618366422.db2.gz QNCBYJRZPZSDHZ-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO C[C@]12C[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614881 625029738 /nfs/dbraw/zinc/02/97/38/625029738.db2.gz QQDHGKPXVPUGEB-UZGDPCLZSA-N 1 1 274.324 1.893 20 5 CDBDMO O=C(Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000905061491 626610334 /nfs/dbraw/zinc/61/03/34/626610334.db2.gz QXIZDYDVUMIPIG-CYBMUJFWSA-N 1 1 293.323 1.170 20 5 CDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000905159998 626642807 /nfs/dbraw/zinc/64/28/07/626642807.db2.gz PTNOHTMUGMPMLZ-AWEZNQCLSA-N 1 1 294.351 1.919 20 5 CDBDMO Cc1ccc(N2CCC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)cc1 ZINC000905134220 626648625 /nfs/dbraw/zinc/64/86/25/626648625.db2.gz GOKHXCPGKIJEAR-CYBMUJFWSA-N 1 1 277.324 1.357 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000905453527 626822197 /nfs/dbraw/zinc/82/21/97/626822197.db2.gz QREZAJJZINMSJN-CYBMUJFWSA-N 1 1 292.335 1.926 20 5 CDBDMO Cc1cn(CC[C@@H]2CCCC[N@@H+]2C)nc1[N+](=O)[O-] ZINC000906508415 627295899 /nfs/dbraw/zinc/29/58/99/627295899.db2.gz XJHCMJHGHKZPKB-NSHDSACASA-N 1 1 252.318 1.974 20 5 CDBDMO C[N@H+]1CCC[C@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912459611 630010519 /nfs/dbraw/zinc/01/05/19/630010519.db2.gz UVYJTKFEPWITAB-JTQLQIEISA-N 1 1 288.311 1.343 20 5 CDBDMO C[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000312500734 1186699225 /nfs/dbraw/zinc/69/92/25/1186699225.db2.gz LOUNMXVSAFDMDX-RISCZKNCSA-N 1 1 281.356 1.416 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001164669523 719378105 /nfs/dbraw/zinc/37/81/05/719378105.db2.gz QNDSIHRJKWXSEG-MNOVXSKESA-N 1 1 298.730 1.162 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001164664977 719386312 /nfs/dbraw/zinc/38/63/12/719386312.db2.gz DFPGDJFSTOSHHP-ZJUUUORDSA-N 1 1 298.730 1.162 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)NC ZINC000933866103 751819941 /nfs/dbraw/zinc/81/99/41/751819941.db2.gz LMOCTWYFEYKUJK-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@H]2C1 ZINC000834657535 749452090 /nfs/dbraw/zinc/45/20/90/749452090.db2.gz YJYSLHFDDJKNRW-AOOOYVTPSA-N 1 1 293.298 1.368 20 5 CDBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)CC1(C)COC1 ZINC000863298630 749459514 /nfs/dbraw/zinc/45/95/14/749459514.db2.gz HYGUNZBYHQVDBZ-UHFFFAOYSA-N 1 1 290.323 1.870 20 5 CDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CCC1 ZINC000804568249 750070701 /nfs/dbraw/zinc/07/07/01/750070701.db2.gz XWIBYBXXULOCDC-UHFFFAOYSA-N 1 1 266.257 1.621 20 5 CDBDMO C[NH+]1CCC(ONC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000846647291 750589424 /nfs/dbraw/zinc/58/94/24/750589424.db2.gz LNBZLWAAIZFPCQ-UHFFFAOYSA-N 1 1 295.295 1.056 20 5 CDBDMO CO[C@]1(C)CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000794648559 750743246 /nfs/dbraw/zinc/74/32/46/750743246.db2.gz CGBSANVXNZJWGE-CYBMUJFWSA-N 1 1 282.344 1.867 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000794648559 750743268 /nfs/dbraw/zinc/74/32/68/750743268.db2.gz CGBSANVXNZJWGE-CYBMUJFWSA-N 1 1 282.344 1.867 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000785798959 750864601 /nfs/dbraw/zinc/86/46/01/750864601.db2.gz ZPPKDRIHPJBBFK-ZJUUUORDSA-N 1 1 283.353 1.931 20 5 CDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001042711119 752377392 /nfs/dbraw/zinc/37/73/92/752377392.db2.gz QYOPKVZCLZTNIR-CHWSQXEVSA-N 1 1 295.383 1.230 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063753 752550409 /nfs/dbraw/zinc/55/04/09/752550409.db2.gz LGRRIQLCPDJOFX-XJFOESAGSA-N 1 1 289.335 1.089 20 5 CDBDMO C[N@@H+](CCCF)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887141056 752570501 /nfs/dbraw/zinc/57/05/01/752570501.db2.gz DJEWBIVLIGTRRE-GFCCVEGCSA-N 1 1 256.277 1.920 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397726 752708161 /nfs/dbraw/zinc/70/81/61/752708161.db2.gz DDOGDADOQBFEHF-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO CN(C(=O)C[N@@H+]1CC[C@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880296678 752730986 /nfs/dbraw/zinc/73/09/86/752730986.db2.gz CTWILESAVCJWCR-LLVKDONJSA-N 1 1 295.314 1.849 20 5 CDBDMO CN(C(=O)C[N@H+]1CC[C@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880296678 752731020 /nfs/dbraw/zinc/73/10/20/752731020.db2.gz CTWILESAVCJWCR-LLVKDONJSA-N 1 1 295.314 1.849 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815262 752822084 /nfs/dbraw/zinc/82/20/84/752822084.db2.gz AMRNDKZGWXKQLD-GHMZBOCLSA-N 1 1 281.312 1.892 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C ZINC000712543820 752829977 /nfs/dbraw/zinc/82/99/77/752829977.db2.gz UHZZHOYUVNGMSV-VIFPVBQESA-N 1 1 253.306 1.236 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C ZINC000712543820 752829982 /nfs/dbraw/zinc/82/99/82/752829982.db2.gz UHZZHOYUVNGMSV-VIFPVBQESA-N 1 1 253.306 1.236 20 5 CDBDMO CO[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246315099 753033562 /nfs/dbraw/zinc/03/35/62/753033562.db2.gz RBJQKTOAGXSDFC-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000791052827 753065065 /nfs/dbraw/zinc/06/50/65/753065065.db2.gz FRRPRJYLVFETNM-LBPRGKRZSA-N 1 1 293.371 1.461 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000791052827 753065068 /nfs/dbraw/zinc/06/50/68/753065068.db2.gz FRRPRJYLVFETNM-LBPRGKRZSA-N 1 1 293.371 1.461 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000815181150 753074726 /nfs/dbraw/zinc/07/47/26/753074726.db2.gz MFINTGNBQDLMCK-GWCFXTLKSA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000923308098 753095571 /nfs/dbraw/zinc/09/55/71/753095571.db2.gz BARNNTSMDQTKOO-NWDGAFQWSA-N 1 1 289.335 1.904 20 5 CDBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886278591 753353128 /nfs/dbraw/zinc/35/31/28/753353128.db2.gz DHGZZVBGAQDQPA-OKILXGFUSA-N 1 1 277.324 1.848 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886232110 753816085 /nfs/dbraw/zinc/81/60/85/753816085.db2.gz PVVJQJSEAUTHNM-ZYHUDNBSSA-N 1 1 265.313 1.847 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)C1 ZINC001173226823 912322435 /nfs/dbraw/zinc/32/24/35/912322435.db2.gz LUUYRFIUOPRREA-DGCLKSJQSA-N 1 1 264.325 1.840 20 5 CDBDMO C[N@@H+](C[C@@H](O)CO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904909 912036843 /nfs/dbraw/zinc/03/68/43/912036843.db2.gz PMESAVXSWIMOMB-UKRRQHHQSA-N 1 1 294.351 1.127 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168966529 927589686 /nfs/dbraw/zinc/58/96/86/927589686.db2.gz JCMALENAIXLZMJ-QCNOEVLYSA-N 1 1 272.345 1.609 20 5 CDBDMO CCN1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006009 927609426 /nfs/dbraw/zinc/60/94/26/927609426.db2.gz FDZWYQYUCKQURB-CHWSQXEVSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@@H+]1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006009 927609431 /nfs/dbraw/zinc/60/94/31/927609431.db2.gz FDZWYQYUCKQURB-CHWSQXEVSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@H+]1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006009 927609434 /nfs/dbraw/zinc/60/94/34/927609434.db2.gz FDZWYQYUCKQURB-CHWSQXEVSA-N 1 1 255.362 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169013063 927619665 /nfs/dbraw/zinc/61/96/65/927619665.db2.gz TWYYJIAROFHHRT-BBBLOLIVSA-N 1 1 282.262 1.431 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037034 927646384 /nfs/dbraw/zinc/64/63/84/927646384.db2.gz HYMCIFAOVXRROA-FRRDWIJNSA-N 1 1 256.346 1.931 20 5 CDBDMO COCCC[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038468 927650642 /nfs/dbraw/zinc/65/06/42/927650642.db2.gz YXXORFKHLHJEOI-ZIAGYGMSSA-N 1 1 285.388 1.086 20 5 CDBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000851876770 927651487 /nfs/dbraw/zinc/65/14/87/927651487.db2.gz MQYDPYXAEVNMPS-SNVBAGLBSA-N 1 1 267.304 1.870 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC001169022468 927663337 /nfs/dbraw/zinc/66/33/37/927663337.db2.gz BYBCTUAZRMQWAD-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN3CCCC[C@H]3C2)C1 ZINC001169022468 927663341 /nfs/dbraw/zinc/66/33/41/927663341.db2.gz BYBCTUAZRMQWAD-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN3CCCC[C@H]3C2)C1 ZINC001169022468 927663347 /nfs/dbraw/zinc/66/33/47/927663347.db2.gz BYBCTUAZRMQWAD-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047040 927666199 /nfs/dbraw/zinc/66/61/99/927666199.db2.gz QEPUSMLXMARTKI-WDEREUQCSA-N 1 1 258.318 1.317 20 5 CDBDMO CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047024 927666307 /nfs/dbraw/zinc/66/63/07/927666307.db2.gz PTUBYXZWCLNROI-ZNMIVQPWSA-N 1 1 297.399 1.763 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000882477090 930011011 /nfs/dbraw/zinc/01/10/11/930011011.db2.gz FTMYZYMTAYRTNN-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000886081080 930799066 /nfs/dbraw/zinc/79/90/66/930799066.db2.gz IPJOHDQHWONLGC-YPMHNXCESA-N 1 1 277.324 1.848 20 5 CDBDMO CCC(O)(CC)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886302283 930853301 /nfs/dbraw/zinc/85/33/01/930853301.db2.gz JGMICNRBAAKNAP-UHFFFAOYSA-N 1 1 267.329 1.973 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822829209 931212173 /nfs/dbraw/zinc/21/21/73/931212173.db2.gz LQRVGUOYUDSVAM-GFCCVEGCSA-N 1 1 285.388 1.668 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CC3)CC2)cn1 ZINC000929170724 933210387 /nfs/dbraw/zinc/21/03/87/933210387.db2.gz AZTUVTXWDLCOSP-UHFFFAOYSA-N 1 1 292.339 1.291 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000930171488 933329727 /nfs/dbraw/zinc/32/97/27/933329727.db2.gz QKFLFCOOSOUOFQ-UHFFFAOYSA-N 1 1 290.319 1.824 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000930171488 933329729 /nfs/dbraw/zinc/32/97/29/933329729.db2.gz QKFLFCOOSOUOFQ-UHFFFAOYSA-N 1 1 290.319 1.824 20 5 CDBDMO Cc1cc(Cl)nc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001159783984 938752600 /nfs/dbraw/zinc/75/26/00/938752600.db2.gz GBWLPQPPBJXHJF-MRVPVSSYSA-N 1 1 273.724 1.387 20 5 CDBDMO COc1cc(NCC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001160964382 938851430 /nfs/dbraw/zinc/85/14/30/938851430.db2.gz NKWOVINYHMHTEY-SNVBAGLBSA-N 1 1 280.328 1.895 20 5 CDBDMO CNc1cc([N+](=O)[O-])cnc1NCCn1cc[nH+]c1C ZINC001163919618 939352443 /nfs/dbraw/zinc/35/24/43/939352443.db2.gz HLMJBXRWIDDENM-UHFFFAOYSA-N 1 1 276.300 1.649 20 5 CDBDMO C[N@@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302520863 940802965 /nfs/dbraw/zinc/80/29/65/940802965.db2.gz DQSSFAJNLZJWMK-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302520863 940802966 /nfs/dbraw/zinc/80/29/66/940802966.db2.gz DQSSFAJNLZJWMK-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO CCc1nc2c(c(O[C@H](C[N+](=O)[O-])C3CC3)n1)C[NH2+]C2 ZINC001218328384 941054121 /nfs/dbraw/zinc/05/41/21/941054121.db2.gz KGABSVSJKNFLOR-LLVKDONJSA-N 1 1 278.312 1.076 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1n[nH]c(=O)cc1Br ZINC001226851422 942085661 /nfs/dbraw/zinc/08/56/61/942085661.db2.gz ZQGSONXWZUJKIK-SSDOTTSWSA-O 1 1 291.169 1.418 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112028 942136257 /nfs/dbraw/zinc/13/62/57/942136257.db2.gz VVMOPOVKTNLWIF-JTQLQIEISA-N 1 1 296.283 1.761 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228881527 942387417 /nfs/dbraw/zinc/38/74/17/942387417.db2.gz GJTHBGHGJYUOPY-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC001234879425 943965612 /nfs/dbraw/zinc/96/56/12/943965612.db2.gz PIMYZWSITATAHE-SNVBAGLBSA-N 1 1 281.312 1.860 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234901724 943968446 /nfs/dbraw/zinc/96/84/46/943968446.db2.gz QXOMFXGSCMNCHE-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCn2nncc2C1 ZINC001254564193 947527638 /nfs/dbraw/zinc/52/76/38/947527638.db2.gz JHDHQMWRLSFOFZ-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCn2nncc2C1 ZINC001254564193 947527645 /nfs/dbraw/zinc/52/76/45/947527645.db2.gz JHDHQMWRLSFOFZ-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CC[C@@H]2C1 ZINC001254568503 947529936 /nfs/dbraw/zinc/52/99/36/947529936.db2.gz GJLARHLDAYNHSZ-TZMCWYRMSA-N 1 1 275.352 1.916 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574454 947533651 /nfs/dbraw/zinc/53/36/51/947533651.db2.gz HMIZGQFJEGKMFW-KBPBESRZSA-N 1 1 290.319 1.699 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574454 947533662 /nfs/dbraw/zinc/53/36/62/947533662.db2.gz HMIZGQFJEGKMFW-KBPBESRZSA-N 1 1 290.319 1.699 20 5 CDBDMO N=c1cc(C[NH3+])ncn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584719 947539341 /nfs/dbraw/zinc/53/93/41/947539341.db2.gz TXVONDWTZLPRTP-CYBMUJFWSA-N 1 1 285.307 1.069 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601387 947551152 /nfs/dbraw/zinc/55/11/52/947551152.db2.gz ZATHQKFFPKSXCW-GJZGRUSLSA-N 1 1 276.336 1.909 20 5 CDBDMO COC[C@@H]1CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611066 947556158 /nfs/dbraw/zinc/55/61/58/947556158.db2.gz UDVBXZQPIGTDEA-KBPBESRZSA-N 1 1 262.309 1.783 20 5 CDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001333571567 958428500 /nfs/dbraw/zinc/42/85/00/958428500.db2.gz UWRNKEYRDAMJDS-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001333571567 958428506 /nfs/dbraw/zinc/42/85/06/958428506.db2.gz UWRNKEYRDAMJDS-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCn2cc[nH+]c2C1 ZINC001322491203 960238544 /nfs/dbraw/zinc/23/85/44/960238544.db2.gz VNRGANRAPSKPFO-JTQLQIEISA-N 1 1 273.296 1.344 20 5 CDBDMO C[C@H]1CC[N@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492346 961834996 /nfs/dbraw/zinc/83/49/96/961834996.db2.gz SSVMXFMNRFJLJW-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492346 961835003 /nfs/dbraw/zinc/83/50/03/961835003.db2.gz SSVMXFMNRFJLJW-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])c1ccn(-c2cc[nH+]cc2)n1 ZINC001348762948 966167377 /nfs/dbraw/zinc/16/73/77/966167377.db2.gz SHWZNOWZAHDXLA-UHFFFAOYSA-N 1 1 276.252 1.091 20 5 CDBDMO CC(C)NC(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601101298 342463995 /nfs/dbraw/zinc/46/39/95/342463995.db2.gz WZQRIIDQGKLCTC-UHFFFAOYSA-N 1 1 288.307 1.501 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000601188494 342488312 /nfs/dbraw/zinc/48/83/12/342488312.db2.gz HPVUCZQVTDZVTL-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000157679986 342007366 /nfs/dbraw/zinc/00/73/66/342007366.db2.gz YBGBCPRHDPCVED-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000157679986 342007367 /nfs/dbraw/zinc/00/73/67/342007367.db2.gz YBGBCPRHDPCVED-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243351 365618509 /nfs/dbraw/zinc/61/85/09/365618509.db2.gz XRALBDZSRBMTAW-TXEJJXNPSA-N 1 1 279.340 1.734 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000591139925 342618241 /nfs/dbraw/zinc/61/82/41/342618241.db2.gz MEIOVDOQDZGVNC-UHFFFAOYSA-N 1 1 280.303 1.661 20 5 CDBDMO C[C@H]1CC2(C[N@H+]1CCn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592184332 342679737 /nfs/dbraw/zinc/67/97/37/342679737.db2.gz OEHQWLKJHHIRKB-LBPRGKRZSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@@H]1[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000592744214 342721051 /nfs/dbraw/zinc/72/10/51/342721051.db2.gz NQVBEZVBNLHTEP-BXKDBHETSA-N 1 1 263.297 1.874 20 5 CDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913159 539040555 /nfs/dbraw/zinc/04/05/55/539040555.db2.gz FWVXWPCROINFGW-ZJUUUORDSA-N 1 1 278.312 1.232 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818459 342222546 /nfs/dbraw/zinc/22/25/46/342222546.db2.gz UGSWTIHNZYCRIE-LLVKDONJSA-N 1 1 293.371 1.787 20 5 CDBDMO C[NH2+]C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000600825931 342251767 /nfs/dbraw/zinc/25/17/67/342251767.db2.gz WAQLVADSKSBNIK-UHFFFAOYSA-N 1 1 279.296 1.172 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340499 343030635 /nfs/dbraw/zinc/03/06/35/343030635.db2.gz AYKKHECLCAXEOI-LLVKDONJSA-N 1 1 282.344 1.665 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472965 343073487 /nfs/dbraw/zinc/07/34/87/343073487.db2.gz RATYSKHQZKAKFK-QPUJVOFHSA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000595458648 343068942 /nfs/dbraw/zinc/06/89/42/343068942.db2.gz LHVJTXXZOGFQTQ-ZJUUUORDSA-N 1 1 286.303 1.298 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](CCCO)C2)c1[N+](=O)[O-] ZINC000595521951 343088351 /nfs/dbraw/zinc/08/83/51/343088351.db2.gz HLSBTSHSBNLFRV-JTQLQIEISA-N 1 1 269.301 1.486 20 5 CDBDMO CO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595541062 343093111 /nfs/dbraw/zinc/09/31/11/343093111.db2.gz QSPUBJSOEMXURD-GHMZBOCLSA-N 1 1 281.312 1.938 20 5 CDBDMO Cc1ccnc(NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000077995718 342333019 /nfs/dbraw/zinc/33/30/19/342333019.db2.gz OECSKLKPFMOBJQ-LLVKDONJSA-N 1 1 294.355 1.678 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872687 343177295 /nfs/dbraw/zinc/17/72/95/343177295.db2.gz KQNSBQWBRWSKDG-SWLSCSKDSA-N 1 1 294.351 1.924 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595812216 343161356 /nfs/dbraw/zinc/16/13/56/343161356.db2.gz XHTKBTYVZGTQNS-CABZTGNLSA-N 1 1 275.308 1.536 20 5 CDBDMO Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596195060 343254591 /nfs/dbraw/zinc/25/45/91/343254591.db2.gz DTVZNSNHVOJXLJ-LLVKDONJSA-N 1 1 271.342 1.443 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596194361 343254160 /nfs/dbraw/zinc/25/41/60/343254160.db2.gz KFXCNYGYCLRQKD-UHFFFAOYSA-N 1 1 265.317 1.102 20 5 CDBDMO Cc1nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596428022 343312304 /nfs/dbraw/zinc/31/23/04/343312304.db2.gz GMPPKHUYMSHSQQ-QWRGUYRKSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596428022 343312305 /nfs/dbraw/zinc/31/23/05/343312305.db2.gz GMPPKHUYMSHSQQ-QWRGUYRKSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000295084746 199336496 /nfs/dbraw/zinc/33/64/96/199336496.db2.gz ROCUIYHRYSQBJA-VIFPVBQESA-N 1 1 277.328 1.756 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599674088 344114803 /nfs/dbraw/zinc/11/48/03/344114803.db2.gz WSORFHZWYFHDFI-TXEJJXNPSA-N 1 1 280.324 1.676 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645198 344211430 /nfs/dbraw/zinc/21/14/30/344211430.db2.gz UYKAGYYZLZHQGC-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC(C)[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085862713 344389710 /nfs/dbraw/zinc/38/97/10/344389710.db2.gz VSFQSHNDUQQOIU-UHFFFAOYSA-N 1 1 279.296 1.939 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000602810143 344602800 /nfs/dbraw/zinc/60/28/00/344602800.db2.gz DVNWLTAALDSQET-UHFFFAOYSA-N 1 1 282.344 1.335 20 5 CDBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000603186344 344727880 /nfs/dbraw/zinc/72/78/80/344727880.db2.gz HAZUSHXANDEVFL-UHFFFAOYSA-N 1 1 287.323 1.830 20 5 CDBDMO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000603435285 344808797 /nfs/dbraw/zinc/80/87/97/344808797.db2.gz XIHCSWHEDWPNQK-STQMWFEESA-N 1 1 279.340 1.689 20 5 CDBDMO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000231666824 362602449 /nfs/dbraw/zinc/60/24/49/362602449.db2.gz JQEKAFGLDMJFSQ-GXSJLCMTSA-N 1 1 263.297 1.476 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000610680890 346346773 /nfs/dbraw/zinc/34/67/73/346346773.db2.gz KSGKFTVABXCOPG-NSHDSACASA-N 1 1 289.339 1.978 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cccc2[C@@H]1C ZINC000610680890 346346776 /nfs/dbraw/zinc/34/67/76/346346776.db2.gz KSGKFTVABXCOPG-NSHDSACASA-N 1 1 289.339 1.978 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087442 346602415 /nfs/dbraw/zinc/60/24/15/346602415.db2.gz HAEGRQDXXWCURG-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087442 346602417 /nfs/dbraw/zinc/60/24/17/346602417.db2.gz HAEGRQDXXWCURG-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@H]1COCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610990825 346567159 /nfs/dbraw/zinc/56/71/59/346567159.db2.gz PILUFDOSAAVKIJ-JTQLQIEISA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@H]1COCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610990825 346567164 /nfs/dbraw/zinc/56/71/64/346567164.db2.gz PILUFDOSAAVKIJ-JTQLQIEISA-N 1 1 293.323 1.305 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611299103 346740612 /nfs/dbraw/zinc/74/06/12/346740612.db2.gz OAHJPMUUPFPWNU-QWRGUYRKSA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299259 346741261 /nfs/dbraw/zinc/74/12/61/346741261.db2.gz ZFSAFCAQQWIGLO-RKDXNWHRSA-N 1 1 295.368 1.833 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000055017273 347835116 /nfs/dbraw/zinc/83/51/16/347835116.db2.gz LHEULEQAPFNJOO-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000055017273 347835120 /nfs/dbraw/zinc/83/51/20/347835120.db2.gz LHEULEQAPFNJOO-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000615496061 348560739 /nfs/dbraw/zinc/56/07/39/348560739.db2.gz ATZJOMAQCGVEST-RKDXNWHRSA-N 1 1 282.319 1.845 20 5 CDBDMO CC(=O)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000059391570 348879568 /nfs/dbraw/zinc/87/95/68/348879568.db2.gz YBHXRGSEKSFYSI-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)CC2CC2)cc1 ZINC000065223154 348952771 /nfs/dbraw/zinc/95/27/71/348952771.db2.gz QNIQLFNUDKXPCF-UHFFFAOYSA-N 1 1 280.324 1.678 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067948727 349042591 /nfs/dbraw/zinc/04/25/91/349042591.db2.gz XYYXNHZIJLSCGN-ZDUSSCGKSA-N 1 1 291.351 1.896 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000271218352 191010013 /nfs/dbraw/zinc/01/00/13/191010013.db2.gz XZAKAPHLUJSZAX-LBPRGKRZSA-N 1 1 277.324 1.566 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000271218352 191010016 /nfs/dbraw/zinc/01/00/16/191010016.db2.gz XZAKAPHLUJSZAX-LBPRGKRZSA-N 1 1 277.324 1.566 20 5 CDBDMO CCc1nn(C)c(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000271388554 191110716 /nfs/dbraw/zinc/11/07/16/191110716.db2.gz LLZWDSYLCWZZBJ-UHFFFAOYSA-N 1 1 292.343 1.898 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000516101189 363001756 /nfs/dbraw/zinc/00/17/56/363001756.db2.gz ICCNZXPCVVWODN-NXEZZACHSA-N 1 1 268.317 1.209 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000154608923 188153105 /nfs/dbraw/zinc/15/31/05/188153105.db2.gz KZOCXSQAMIXTKA-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353483302 363364801 /nfs/dbraw/zinc/36/48/01/363364801.db2.gz OJFFLNZTMQLRHA-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000411956821 363387377 /nfs/dbraw/zinc/38/73/77/363387377.db2.gz ROFVGPBMLAUSCB-LLVKDONJSA-N 1 1 295.314 1.644 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271879506 191386857 /nfs/dbraw/zinc/38/68/57/191386857.db2.gz MWRXLRMNTQMARP-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000558983891 356068160 /nfs/dbraw/zinc/06/81/60/356068160.db2.gz DPMHHGYVRFEGGU-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286268387 356239568 /nfs/dbraw/zinc/23/95/68/356239568.db2.gz BHMVKQFJSHETLN-IUODEOHRSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286268394 356239654 /nfs/dbraw/zinc/23/96/54/356239654.db2.gz BHMVKQFJSHETLN-WFASDCNBSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609511911 356389479 /nfs/dbraw/zinc/38/94/79/356389479.db2.gz WHXDIHZBRFKRNZ-UHFFFAOYSA-N 1 1 250.302 1.522 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C(C)(C)CO ZINC000134842795 356420760 /nfs/dbraw/zinc/42/07/60/356420760.db2.gz HHJRSGAPZAJTFI-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1C ZINC000584105075 366274855 /nfs/dbraw/zinc/27/48/55/366274855.db2.gz BPZWNNAPIDJTKS-SECBINFHSA-N 1 1 267.333 1.260 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H]1C ZINC000584105075 366274866 /nfs/dbraw/zinc/27/48/66/366274866.db2.gz BPZWNNAPIDJTKS-SECBINFHSA-N 1 1 267.333 1.260 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCCO)CC1 ZINC000060332608 357203644 /nfs/dbraw/zinc/20/36/44/357203644.db2.gz BBHAAWZHZBKITD-UHFFFAOYSA-N 1 1 283.303 1.238 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072622022 357354864 /nfs/dbraw/zinc/35/48/64/357354864.db2.gz ZQBHXXCELWKWOO-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1cc(OC[C@H](O)C[N@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290728597 357465276 /nfs/dbraw/zinc/46/52/76/357465276.db2.gz FSQYSAZCBSOGKZ-LLVKDONJSA-N 1 1 298.314 1.876 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N(C)CC ZINC000185176443 357518105 /nfs/dbraw/zinc/51/81/05/357518105.db2.gz STWQMNMPOJATIZ-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)nc1 ZINC000188495763 357904285 /nfs/dbraw/zinc/90/42/85/357904285.db2.gz KZWMINDRWJAZSH-UHFFFAOYSA-N 1 1 266.301 1.124 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193634428 358311182 /nfs/dbraw/zinc/31/11/82/358311182.db2.gz BSEDCCYIKYKFHG-PELKAZGASA-N 1 1 297.742 1.862 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152143993 366502500 /nfs/dbraw/zinc/50/25/00/366502500.db2.gz BDEDUWYADGHRAU-AWEZNQCLSA-N 1 1 294.351 1.865 20 5 CDBDMO Cc1[nH]nc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000267223800 359091714 /nfs/dbraw/zinc/09/17/14/359091714.db2.gz JKHISLYNLBPQNI-UHFFFAOYSA-N 1 1 290.283 1.340 20 5 CDBDMO O=[N+]([O-])c1cccnc1NCC[NH+]1CCSCC1 ZINC000226230313 359642260 /nfs/dbraw/zinc/64/22/60/359642260.db2.gz LVQUYLZCIFVKOO-UHFFFAOYSA-N 1 1 268.342 1.451 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)nc1 ZINC000237987077 360316671 /nfs/dbraw/zinc/31/66/71/360316671.db2.gz PJPMTGILVBCRIQ-LLVKDONJSA-N 1 1 262.313 1.886 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177520625 238310835 /nfs/dbraw/zinc/31/08/35/238310835.db2.gz PQZLHHSXHMQEGW-TXEJJXNPSA-N 1 1 264.329 1.913 20 5 CDBDMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137520121 364004931 /nfs/dbraw/zinc/00/49/31/364004931.db2.gz QXDDMPOJDGMGPY-JTQLQIEISA-N 1 1 297.359 1.558 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264303491 364895524 /nfs/dbraw/zinc/89/55/24/364895524.db2.gz RUCKBVZUQZLIJB-QWRGUYRKSA-N 1 1 280.328 1.511 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)C1CCOCC1 ZINC000275478607 193053756 /nfs/dbraw/zinc/05/37/56/193053756.db2.gz DPSKQJXMOYWSEA-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO CCC[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270468257 366886119 /nfs/dbraw/zinc/88/61/19/366886119.db2.gz BRDUEEBHKUDYNE-UHFFFAOYSA-N 1 1 253.302 1.488 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871991 366939328 /nfs/dbraw/zinc/93/93/28/366939328.db2.gz JIBJUMBNILWFCC-AAEUAGOBSA-N 1 1 250.298 1.798 20 5 CDBDMO CN1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000271183113 366982349 /nfs/dbraw/zinc/98/23/49/366982349.db2.gz IPOLJAKJFMGLCA-DYLGSBMWSA-N 1 1 289.335 1.771 20 5 CDBDMO CN1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000271183113 366982354 /nfs/dbraw/zinc/98/23/54/366982354.db2.gz IPOLJAKJFMGLCA-DYLGSBMWSA-N 1 1 289.335 1.771 20 5 CDBDMO CCOCC[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529903 367570711 /nfs/dbraw/zinc/57/07/11/367570711.db2.gz YHEZSIFBLOYVQV-UHFFFAOYSA-N 1 1 283.328 1.115 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492328 367742512 /nfs/dbraw/zinc/74/25/12/367742512.db2.gz CIMOWLKHOZVOJD-VHSXEESVSA-N 1 1 291.307 1.939 20 5 CDBDMO C[N@@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000266118829 368556684 /nfs/dbraw/zinc/55/66/84/368556684.db2.gz VWUDQMDMXSDNND-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351823124 369303832 /nfs/dbraw/zinc/30/38/32/369303832.db2.gz CKMXVHGJPUMYCQ-GWCFXTLKSA-N 1 1 293.323 1.236 20 5 CDBDMO CC(C)N1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330887032 203353683 /nfs/dbraw/zinc/35/36/83/203353683.db2.gz SHBGYEXTQYTJLE-UHFFFAOYSA-N 1 1 295.387 1.596 20 5 CDBDMO CC(C)N1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330887032 203353686 /nfs/dbraw/zinc/35/36/86/203353686.db2.gz SHBGYEXTQYTJLE-UHFFFAOYSA-N 1 1 295.387 1.596 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276320902 193286238 /nfs/dbraw/zinc/28/62/38/193286238.db2.gz FIABUSOHXDZWBZ-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000367981854 371268299 /nfs/dbraw/zinc/26/82/99/371268299.db2.gz FFOSHPIZUGJHJA-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO CC[C@H]([NH2+]C[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480667 374386135 /nfs/dbraw/zinc/38/61/35/374386135.db2.gz PMKACEYROOLHFQ-CABCVRRESA-N 1 1 292.383 1.539 20 5 CDBDMO C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487761 374386766 /nfs/dbraw/zinc/38/67/66/374386766.db2.gz XTXNJEOAVMXHCS-BXUZGUMPSA-N 1 1 278.356 1.149 20 5 CDBDMO CCC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000429182606 374570528 /nfs/dbraw/zinc/57/05/28/374570528.db2.gz CTADVCSPIUBTPM-UHFFFAOYSA-N 1 1 265.313 1.601 20 5 CDBDMO CCC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000429182606 374570535 /nfs/dbraw/zinc/57/05/35/374570535.db2.gz CTADVCSPIUBTPM-UHFFFAOYSA-N 1 1 265.313 1.601 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000449526107 374817846 /nfs/dbraw/zinc/81/78/46/374817846.db2.gz YURYRGGNUQFHKF-RISCZKNCSA-N 1 1 279.315 1.870 20 5 CDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277517077 374791858 /nfs/dbraw/zinc/79/18/58/374791858.db2.gz QMXWOVYSBJGLNC-YUNKPMOVSA-N 1 1 296.392 1.838 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@](=O)C1 ZINC000277517077 374791860 /nfs/dbraw/zinc/79/18/60/374791860.db2.gz QMXWOVYSBJGLNC-YUNKPMOVSA-N 1 1 296.392 1.838 20 5 CDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330960274 374875401 /nfs/dbraw/zinc/87/54/01/374875401.db2.gz JFVPFVFFWRYSTE-UHFFFAOYSA-N 1 1 294.355 1.775 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332564 374930414 /nfs/dbraw/zinc/93/04/14/374930414.db2.gz SIFMWIWYBBVZLG-NEPJUHHUSA-N 1 1 282.344 1.417 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280639373 375009034 /nfs/dbraw/zinc/00/90/34/375009034.db2.gz VDOUEDUYOSCOQJ-UHFFFAOYSA-N 1 1 295.339 1.350 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000332213437 375016700 /nfs/dbraw/zinc/01/67/00/375016700.db2.gz KFYOLAXUYHSTMW-HUUCEWRRSA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000332213437 375016705 /nfs/dbraw/zinc/01/67/05/375016705.db2.gz KFYOLAXUYHSTMW-HUUCEWRRSA-N 1 1 291.351 1.418 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299269224 375137108 /nfs/dbraw/zinc/13/71/08/375137108.db2.gz HXQTXYPTMNTLGZ-UHFFFAOYSA-N 1 1 266.301 1.668 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351809415 375331308 /nfs/dbraw/zinc/33/13/08/375331308.db2.gz LNQYORIDMSTMEI-MFKMUULPSA-N 1 1 293.323 1.154 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351809415 375331316 /nfs/dbraw/zinc/33/13/16/375331316.db2.gz LNQYORIDMSTMEI-MFKMUULPSA-N 1 1 293.323 1.154 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccnc1 ZINC000132366838 375464986 /nfs/dbraw/zinc/46/49/86/375464986.db2.gz UMLVBWMTBYBMGD-UHFFFAOYSA-N 1 1 288.307 1.284 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccnc1 ZINC000132366838 375464990 /nfs/dbraw/zinc/46/49/90/375464990.db2.gz UMLVBWMTBYBMGD-UHFFFAOYSA-N 1 1 288.307 1.284 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C ZINC000353235801 375589287 /nfs/dbraw/zinc/58/92/87/375589287.db2.gz SAHFLBLJUASLAS-ZJUUUORDSA-N 1 1 295.343 1.263 20 5 CDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000132715794 375578768 /nfs/dbraw/zinc/57/87/68/375578768.db2.gz SWFMBGSMFQSFQH-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058148675 375670706 /nfs/dbraw/zinc/67/07/06/375670706.db2.gz IJJUZPLTYTVVBE-LBPRGKRZSA-N 1 1 289.335 1.490 20 5 CDBDMO CC[N@@H+](CCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000355067264 375771581 /nfs/dbraw/zinc/77/15/81/375771581.db2.gz UPRPKDAUFHVBIR-UHFFFAOYSA-N 1 1 252.318 1.913 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000134022006 375802979 /nfs/dbraw/zinc/80/29/79/375802979.db2.gz KAGSUZQSBCNHRM-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000134022006 375802988 /nfs/dbraw/zinc/80/29/88/375802988.db2.gz KAGSUZQSBCNHRM-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000347353777 375812746 /nfs/dbraw/zinc/81/27/46/375812746.db2.gz HJRYCEMNVBFPRB-LWMSPQMPSA-N 1 1 289.335 1.805 20 5 CDBDMO CCc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000266941374 378875876 /nfs/dbraw/zinc/87/58/76/378875876.db2.gz QCTGHNXZWVALCE-UHFFFAOYSA-N 1 1 291.351 1.935 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596847 379616313 /nfs/dbraw/zinc/61/63/13/379616313.db2.gz IUXPNDVFEDICTP-WDEREUQCSA-N 1 1 293.323 1.744 20 5 CDBDMO CC1=CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280968923 195050728 /nfs/dbraw/zinc/05/07/28/195050728.db2.gz ZYOYZGXDKBGOPT-UHFFFAOYSA-N 1 1 275.308 1.846 20 5 CDBDMO CC1=CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280968923 195050730 /nfs/dbraw/zinc/05/07/30/195050730.db2.gz ZYOYZGXDKBGOPT-UHFFFAOYSA-N 1 1 275.308 1.846 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491574834 253091981 /nfs/dbraw/zinc/09/19/81/253091981.db2.gz FVQKLXITIWQMJN-VVEJJEBESA-N 1 1 289.335 1.771 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492690950 253273346 /nfs/dbraw/zinc/27/33/46/253273346.db2.gz RAPHUBJLBXCICM-YVMONPNESA-N 1 1 289.335 1.817 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285740272 390183451 /nfs/dbraw/zinc/18/34/51/390183451.db2.gz QHWYEWQIFLRZKI-VIFPVBQESA-N 1 1 283.284 1.970 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285740272 390183453 /nfs/dbraw/zinc/18/34/53/390183453.db2.gz QHWYEWQIFLRZKI-VIFPVBQESA-N 1 1 283.284 1.970 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550917 390632614 /nfs/dbraw/zinc/63/26/14/390632614.db2.gz XGABTLUODIIEIF-WCQYABFASA-N 1 1 282.344 1.538 20 5 CDBDMO C[C@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090549843 390885394 /nfs/dbraw/zinc/88/53/94/390885394.db2.gz QIRRZUHNYHYFBW-GHMZBOCLSA-N 1 1 297.380 1.582 20 5 CDBDMO CN1CCO[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997783 391118412 /nfs/dbraw/zinc/11/84/12/391118412.db2.gz CWWWPHPOPUAOFJ-UONOGXRCSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997783 391118419 /nfs/dbraw/zinc/11/84/19/391118419.db2.gz CWWWPHPOPUAOFJ-UONOGXRCSA-N 1 1 277.324 1.110 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408074696 391244900 /nfs/dbraw/zinc/24/49/00/391244900.db2.gz XIHGOZDFLNYYEU-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408074696 391244902 /nfs/dbraw/zinc/24/49/02/391244902.db2.gz XIHGOZDFLNYYEU-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520348286 391270914 /nfs/dbraw/zinc/27/09/14/391270914.db2.gz OOGZDGJEAFKTBU-NSHDSACASA-N 1 1 294.355 1.538 20 5 CDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573908100 391610209 /nfs/dbraw/zinc/61/02/09/391610209.db2.gz AZXDTEASEAGEPT-JTQLQIEISA-N 1 1 295.343 1.264 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000495228725 391907898 /nfs/dbraw/zinc/90/78/98/391907898.db2.gz LWLLVKLLQQIVJK-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000419369102 392891537 /nfs/dbraw/zinc/89/15/37/392891537.db2.gz HBFZMMBKCPFQJT-OUAUKWLOSA-N 1 1 252.318 1.768 20 5 CDBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000422026617 392950914 /nfs/dbraw/zinc/95/09/14/392950914.db2.gz UIHZVTCEAJEVEN-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H]1C(=O)NCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189308760 140112581 /nfs/dbraw/zinc/11/25/81/140112581.db2.gz INNRUIJDXHJKPQ-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1C(=O)NCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189308760 140112583 /nfs/dbraw/zinc/11/25/83/140112583.db2.gz INNRUIJDXHJKPQ-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193569106 140147154 /nfs/dbraw/zinc/14/71/54/140147154.db2.gz GBZZOVVQWDKXAN-UFBFGSQYSA-N 1 1 297.742 1.862 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276189 140336287 /nfs/dbraw/zinc/33/62/87/140336287.db2.gz CXFRMYBZVWKPPG-XYLWRLHESA-N 1 1 291.351 1.922 20 5 CDBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213903 152459319 /nfs/dbraw/zinc/45/93/19/152459319.db2.gz OLQQFOZVYXZLSI-DGCLKSJQSA-N 1 1 296.371 1.520 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352700801 155376238 /nfs/dbraw/zinc/37/62/38/155376238.db2.gz UYIZHFVVPWEJRQ-KBPBESRZSA-N 1 1 264.325 1.983 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348950328 154013205 /nfs/dbraw/zinc/01/32/05/154013205.db2.gz PGJIRKFSOHHXMS-CQSZACIVSA-N 1 1 294.355 1.682 20 5 CDBDMO CC[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359102750 158127564 /nfs/dbraw/zinc/12/75/64/158127564.db2.gz HEJGOKKLXRJDII-UHFFFAOYSA-N 1 1 252.318 1.970 20 5 CDBDMO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000373875574 160234150 /nfs/dbraw/zinc/23/41/50/160234150.db2.gz DLNFRYJIFDKFFZ-BFHYXJOUSA-N 1 1 295.383 1.565 20 5 CDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373875574 160234148 /nfs/dbraw/zinc/23/41/48/160234148.db2.gz DLNFRYJIFDKFFZ-BFHYXJOUSA-N 1 1 295.383 1.565 20 5 CDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000373875574 160234152 /nfs/dbraw/zinc/23/41/52/160234152.db2.gz DLNFRYJIFDKFFZ-BFHYXJOUSA-N 1 1 295.383 1.565 20 5 CDBDMO CCN(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285428360 196281035 /nfs/dbraw/zinc/28/10/35/196281035.db2.gz WJSZUTQLDQWTRZ-UHFFFAOYSA-N 1 1 279.340 1.547 20 5 CDBDMO CCN(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285428360 196281038 /nfs/dbraw/zinc/28/10/38/196281038.db2.gz WJSZUTQLDQWTRZ-UHFFFAOYSA-N 1 1 279.340 1.547 20 5 CDBDMO Cc1c(CN2CCC(O)(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000397025870 270346104 /nfs/dbraw/zinc/34/61/04/270346104.db2.gz USQLRHSHBVYSTK-UHFFFAOYSA-N 1 1 279.340 1.189 20 5 CDBDMO CC(C)[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000487950354 270398394 /nfs/dbraw/zinc/39/83/94/270398394.db2.gz GRVJTRDUUKAYRW-NSHDSACASA-N 1 1 281.360 1.100 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000266466413 274032014 /nfs/dbraw/zinc/03/20/14/274032014.db2.gz ZKPSUQRFMIGKIE-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000266466413 274032016 /nfs/dbraw/zinc/03/20/16/274032016.db2.gz ZKPSUQRFMIGKIE-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000194738101 280052589 /nfs/dbraw/zinc/05/25/89/280052589.db2.gz JVNMEVYMISSKLP-LLVKDONJSA-N 1 1 293.323 1.184 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953373 280397453 /nfs/dbraw/zinc/39/74/53/280397453.db2.gz PXINUFKIZOIJMZ-MNOVXSKESA-N 1 1 298.339 1.167 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555210231 290207789 /nfs/dbraw/zinc/20/77/89/290207789.db2.gz FSPXTWLLIFPSFR-VIFPVBQESA-N 1 1 283.332 1.168 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570664790 294284248 /nfs/dbraw/zinc/28/42/48/294284248.db2.gz OWAWUDJTIKZBJN-LLVKDONJSA-N 1 1 291.351 1.975 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584170526 327056424 /nfs/dbraw/zinc/05/64/24/327056424.db2.gz VWIYGBICSLONCD-GFCCVEGCSA-N 1 1 287.323 1.713 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584170526 327056425 /nfs/dbraw/zinc/05/64/25/327056425.db2.gz VWIYGBICSLONCD-GFCCVEGCSA-N 1 1 287.323 1.713 20 5 CDBDMO CC[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000071969738 521120081 /nfs/dbraw/zinc/12/00/81/521120081.db2.gz IZBWQDHVGBYEKC-UHFFFAOYSA-N 1 1 254.286 1.288 20 5 CDBDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048446000 523993408 /nfs/dbraw/zinc/99/34/08/523993408.db2.gz XWAODCNMOIMUEC-QWRGUYRKSA-N 1 1 279.340 1.988 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000183246098 525562971 /nfs/dbraw/zinc/56/29/71/525562971.db2.gz HKBITWAKEHHEAV-AWEZNQCLSA-N 1 1 291.351 1.956 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000304287929 528671762 /nfs/dbraw/zinc/67/17/62/528671762.db2.gz BDRZBCSOXHMTKT-WCQYABFASA-N 1 1 284.360 1.519 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304324420 528932527 /nfs/dbraw/zinc/93/25/27/528932527.db2.gz RUTOHSZRHSFUCS-CQSZACIVSA-N 1 1 296.371 1.805 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799749 574450750 /nfs/dbraw/zinc/45/07/50/574450750.db2.gz QIMUUHLAKIHBJQ-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC000773990264 575847185 /nfs/dbraw/zinc/84/71/85/575847185.db2.gz ALNZEALGZCMAAS-GFCCVEGCSA-N 1 1 289.335 1.744 20 5 CDBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000767548217 576203526 /nfs/dbraw/zinc/20/35/26/576203526.db2.gz QAOYPISOBHUUGH-UHFFFAOYSA-N 1 1 292.295 1.685 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769447039 576354790 /nfs/dbraw/zinc/35/47/90/576354790.db2.gz SDLQRJGAGPWTPY-LLVKDONJSA-N 1 1 294.307 1.587 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769447039 576354791 /nfs/dbraw/zinc/35/47/91/576354791.db2.gz SDLQRJGAGPWTPY-LLVKDONJSA-N 1 1 294.307 1.587 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104820 576548983 /nfs/dbraw/zinc/54/89/83/576548983.db2.gz IFVVLRBACUTQTN-JIMOISOXSA-N 1 1 266.297 1.083 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000748351191 576907804 /nfs/dbraw/zinc/90/78/04/576907804.db2.gz RRAAJCOHWPHEJY-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000748351191 576907805 /nfs/dbraw/zinc/90/78/05/576907805.db2.gz RRAAJCOHWPHEJY-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1COC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932487377 617314380 /nfs/dbraw/zinc/31/43/80/617314380.db2.gz AFMKQSPUQXLOOO-JVXZTZIISA-N 1 1 272.251 1.998 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458751 617419231 /nfs/dbraw/zinc/41/92/31/617419231.db2.gz DNJVVUIWDKLTHI-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]1CO ZINC000934021903 617860811 /nfs/dbraw/zinc/86/08/11/617860811.db2.gz SCOITXDOBRBDED-LBPRGKRZSA-N 1 1 293.323 1.298 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822673553 618554199 /nfs/dbraw/zinc/55/41/99/618554199.db2.gz TWQLTRFNVVUCJE-NSHDSACASA-N 1 1 271.361 1.280 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000894168165 618648421 /nfs/dbraw/zinc/64/84/21/618648421.db2.gz UNACGJQTKNZJSQ-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000899859480 622486921 /nfs/dbraw/zinc/48/69/21/622486921.db2.gz KRSGDKIREUGSRN-NSHDSACASA-N 1 1 253.302 1.283 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000903003322 625767062 /nfs/dbraw/zinc/76/70/62/625767062.db2.gz LPVWNIBHUREKQH-YPMHNXCESA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000903003322 625767070 /nfs/dbraw/zinc/76/70/70/625767070.db2.gz LPVWNIBHUREKQH-YPMHNXCESA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])CCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000905036328 626378010 /nfs/dbraw/zinc/37/80/10/626378010.db2.gz RJIDRRVOBQXMHI-AWEZNQCLSA-N 1 1 263.341 1.517 20 5 CDBDMO O=[N+]([O-])CCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905036328 626378011 /nfs/dbraw/zinc/37/80/11/626378011.db2.gz RJIDRRVOBQXMHI-AWEZNQCLSA-N 1 1 263.341 1.517 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000905036818 626378027 /nfs/dbraw/zinc/37/80/27/626378027.db2.gz VAHUYLRFMAWWPU-UHFFFAOYSA-N 1 1 265.313 1.769 20 5 CDBDMO O=[N+]([O-])CCNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000905244675 626701493 /nfs/dbraw/zinc/70/14/93/626701493.db2.gz RNFAGQLLOCPSPC-CYBMUJFWSA-N 1 1 255.362 1.650 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170340005 1162346733 /nfs/dbraw/zinc/34/67/33/1162346733.db2.gz CGAZVPQIYJDPDB-VXGBXAGGSA-N 1 1 294.351 1.849 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC001157043313 1162041702 /nfs/dbraw/zinc/04/17/02/1162041702.db2.gz LWPCDYVIAJAOBB-UHFFFAOYSA-N 1 1 283.357 1.154 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156002026 1167281041 /nfs/dbraw/zinc/28/10/41/1167281041.db2.gz MPMFCPRTVKUFEY-UHFFFAOYSA-N 1 1 292.255 1.515 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1CC[NH3+] ZINC000070149596 1171646534 /nfs/dbraw/zinc/64/65/34/1171646534.db2.gz LSZCDQIPFIQCNX-LBPRGKRZSA-N 1 1 281.360 1.303 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164629417 719153720 /nfs/dbraw/zinc/15/37/20/719153720.db2.gz ASMNMVPDCMYWHE-QWRGUYRKSA-N 1 1 264.329 1.827 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164641706 719216960 /nfs/dbraw/zinc/21/69/60/719216960.db2.gz UWRUNWBGVHKACZ-NXEZZACHSA-N 1 1 280.328 1.065 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164641706 719216965 /nfs/dbraw/zinc/21/69/65/719216965.db2.gz UWRUNWBGVHKACZ-NXEZZACHSA-N 1 1 280.328 1.065 20 5 CDBDMO COc1cc(F)c([C@H](C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000791053060 755293126 /nfs/dbraw/zinc/29/31/26/755293126.db2.gz ABORDWJNMLEMFM-QMMMGPOBSA-N 1 1 272.276 1.770 20 5 CDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147004 753862735 /nfs/dbraw/zinc/86/27/35/753862735.db2.gz HLENJUXFHFEODW-SMDDNHRTSA-N 1 1 279.340 1.973 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000842614009 754180686 /nfs/dbraw/zinc/18/06/86/754180686.db2.gz FXFHKNHCKIFWGZ-RYUDHWBXSA-N 1 1 280.328 1.640 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776598400 754219143 /nfs/dbraw/zinc/21/91/43/754219143.db2.gz MXVWSTMKXFCWFH-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598400 754219151 /nfs/dbraw/zinc/21/91/51/754219151.db2.gz MXVWSTMKXFCWFH-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598400 754219161 /nfs/dbraw/zinc/21/91/61/754219161.db2.gz MXVWSTMKXFCWFH-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739919 754350602 /nfs/dbraw/zinc/35/06/02/754350602.db2.gz SZULRCQSSUQYHJ-GHMZBOCLSA-N 1 1 271.361 1.373 20 5 CDBDMO C[C@@]12CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000930366154 754445099 /nfs/dbraw/zinc/44/50/99/754445099.db2.gz FEYWVEPFEJRPGB-JGVFFNPUSA-N 1 1 253.129 1.779 20 5 CDBDMO CC[C@@H]([NH3+])c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000823089768 754493278 /nfs/dbraw/zinc/49/32/78/754493278.db2.gz XNBXEEOPMDZUOX-SNVBAGLBSA-N 1 1 292.295 1.987 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928555554 754596643 /nfs/dbraw/zinc/59/66/43/754596643.db2.gz UCJRGFPVHVEZLV-NSHDSACASA-N 1 1 281.287 1.097 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1CO ZINC000885956063 754804964 /nfs/dbraw/zinc/80/49/64/754804964.db2.gz GYKPMJGLMKUUOV-LLVKDONJSA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000885956063 754804966 /nfs/dbraw/zinc/80/49/66/754804966.db2.gz GYKPMJGLMKUUOV-LLVKDONJSA-N 1 1 251.286 1.337 20 5 CDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCC2CC2)CC1 ZINC001005383992 754945483 /nfs/dbraw/zinc/94/54/83/754945483.db2.gz XMYJZOUYENTGTK-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CCC[N@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000929252029 755169943 /nfs/dbraw/zinc/16/99/43/755169943.db2.gz PTGCJJBOEWDTNE-LBPRGKRZSA-N 1 1 280.324 1.815 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000929252029 755169956 /nfs/dbraw/zinc/16/99/56/755169956.db2.gz PTGCJJBOEWDTNE-LBPRGKRZSA-N 1 1 280.324 1.815 20 5 CDBDMO COC[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582755 755201209 /nfs/dbraw/zinc/20/12/09/755201209.db2.gz BPFORVJJVABCBI-RISCZKNCSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869869 755215016 /nfs/dbraw/zinc/21/50/16/755215016.db2.gz BEKIAODJWIZDSH-JQWIXIFHSA-N 1 1 283.372 1.421 20 5 CDBDMO C[N@H+](CCc1nc(-c2ccccc2)no1)CC[N+](=O)[O-] ZINC000930454455 755585581 /nfs/dbraw/zinc/58/55/81/755585581.db2.gz CBMFEEICCBCLDC-UHFFFAOYSA-N 1 1 276.296 1.488 20 5 CDBDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC[N+](=O)[O-] ZINC000930454455 755585586 /nfs/dbraw/zinc/58/55/86/755585586.db2.gz CBMFEEICCBCLDC-UHFFFAOYSA-N 1 1 276.296 1.488 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000930530134 755613633 /nfs/dbraw/zinc/61/36/33/755613633.db2.gz NFPYADYSPJSIQE-OAHLLOKOSA-N 1 1 278.352 1.580 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810840520 755668107 /nfs/dbraw/zinc/66/81/07/755668107.db2.gz HIMRDYIXDAVNTL-ZYHUDNBSSA-N 1 1 293.323 1.717 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872320687 755741028 /nfs/dbraw/zinc/74/10/28/755741028.db2.gz IDSCCASKCLNTOP-PHIMTYICSA-N 1 1 266.272 1.812 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCCCO)C1CC1 ZINC000886019093 755890241 /nfs/dbraw/zinc/89/02/41/755890241.db2.gz LFTPYLUAMASIDL-UHFFFAOYSA-N 1 1 265.313 1.727 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCCCO)C1CC1 ZINC000886019093 755890240 /nfs/dbraw/zinc/89/02/40/755890240.db2.gz LFTPYLUAMASIDL-UHFFFAOYSA-N 1 1 265.313 1.727 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894123890 756019492 /nfs/dbraw/zinc/01/94/92/756019492.db2.gz DEZGJZZOBDPYDC-LLVKDONJSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894123890 756019500 /nfs/dbraw/zinc/01/95/00/756019500.db2.gz DEZGJZZOBDPYDC-LLVKDONJSA-N 1 1 296.323 1.512 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886215175 756042977 /nfs/dbraw/zinc/04/29/77/756042977.db2.gz FMXPKMPJNCMVHZ-AWEZNQCLSA-N 1 1 276.340 1.517 20 5 CDBDMO C[N@@H+](CCO)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000884824433 756435838 /nfs/dbraw/zinc/43/58/38/756435838.db2.gz ZLFCCULNNJCNFA-UHFFFAOYSA-N 1 1 257.265 1.070 20 5 CDBDMO CC[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885981939 756844455 /nfs/dbraw/zinc/84/44/55/756844455.db2.gz QTKUPOCWWGIVIC-UHFFFAOYSA-N 1 1 264.329 1.517 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719097175 756882100 /nfs/dbraw/zinc/88/21/00/756882100.db2.gz FVABDLVNHXWFDI-CYBMUJFWSA-N 1 1 292.335 1.832 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000104083321 756944538 /nfs/dbraw/zinc/94/45/38/756944538.db2.gz LHDKUTLQYBODJH-UHFFFAOYSA-N 1 1 278.308 1.586 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839193652 756959083 /nfs/dbraw/zinc/95/90/83/756959083.db2.gz YVGVGOUUSAFYJE-VHDGCEQUSA-N 1 1 292.335 1.739 20 5 CDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000931178516 757092539 /nfs/dbraw/zinc/09/25/39/757092539.db2.gz UPPGYEPTQZJGFG-MNOVXSKESA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000931178516 757092557 /nfs/dbraw/zinc/09/25/57/757092557.db2.gz UPPGYEPTQZJGFG-MNOVXSKESA-N 1 1 272.345 1.563 20 5 CDBDMO Nc1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000804624991 757808221 /nfs/dbraw/zinc/80/82/21/757808221.db2.gz UZHBVGUYCZESJS-JTQLQIEISA-N 1 1 273.296 1.800 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000192598491 757833503 /nfs/dbraw/zinc/83/35/03/757833503.db2.gz ATTAEJZBKGWIRB-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000192598491 757833506 /nfs/dbraw/zinc/83/35/06/757833506.db2.gz ATTAEJZBKGWIRB-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839706351 757879823 /nfs/dbraw/zinc/87/98/23/757879823.db2.gz NACWWEIXVWXZSC-CHWSQXEVSA-N 1 1 285.388 1.478 20 5 CDBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886252171 758062579 /nfs/dbraw/zinc/06/25/79/758062579.db2.gz VOSSVEYCBDVAHO-KOLCDFICSA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886252171 758062588 /nfs/dbraw/zinc/06/25/88/758062588.db2.gz VOSSVEYCBDVAHO-KOLCDFICSA-N 1 1 251.286 1.335 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000861388526 758072953 /nfs/dbraw/zinc/07/29/53/758072953.db2.gz LIBJAICBHSHTEO-UHFFFAOYSA-N 1 1 294.263 1.186 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555551 758285384 /nfs/dbraw/zinc/28/53/84/758285384.db2.gz UAQLYIHVOIWPAG-SECBINFHSA-N 1 1 281.287 1.476 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555551 758285410 /nfs/dbraw/zinc/28/54/10/758285410.db2.gz UAQLYIHVOIWPAG-SECBINFHSA-N 1 1 281.287 1.476 20 5 CDBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCC1=O ZINC000846920428 758733820 /nfs/dbraw/zinc/73/38/20/758733820.db2.gz LVMCCMPTRIOWHJ-NSHDSACASA-N 1 1 295.314 1.787 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)CC1 ZINC001173223529 912310982 /nfs/dbraw/zinc/31/09/82/912310982.db2.gz ASAWCGBVIORDLY-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO CCOc1cc(-n2cnc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167361762 895433991 /nfs/dbraw/zinc/43/39/91/895433991.db2.gz BKBWGVYEEJSLTP-UHFFFAOYSA-N 1 1 289.295 1.117 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001156010271 927249951 /nfs/dbraw/zinc/24/99/51/927249951.db2.gz ZTBDNYONUFZUBO-UHFFFAOYSA-N 1 1 262.273 1.310 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168996056 927603215 /nfs/dbraw/zinc/60/32/15/927603215.db2.gz UODGZKFCSXRANT-UKRRQHHQSA-N 1 1 281.400 1.896 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008060 927611190 /nfs/dbraw/zinc/61/11/90/927611190.db2.gz RILSWJRQCICKFM-AVGNSLFASA-N 1 1 256.346 1.669 20 5 CDBDMO C[NH+](C)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006837 927611323 /nfs/dbraw/zinc/61/13/23/927611323.db2.gz JQUZBXGEPYJUQT-YPMHNXCESA-N 1 1 255.362 1.458 20 5 CDBDMO CN(C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006837 927611329 /nfs/dbraw/zinc/61/13/29/927611329.db2.gz JQUZBXGEPYJUQT-YPMHNXCESA-N 1 1 255.362 1.458 20 5 CDBDMO CN1CCC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007772 927611432 /nfs/dbraw/zinc/61/14/32/927611432.db2.gz QBZSUBUZSNKNAP-DGCLKSJQSA-N 1 1 255.362 1.458 20 5 CDBDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010246 927614409 /nfs/dbraw/zinc/61/44/09/927614409.db2.gz BSRCZECEYYJWGV-FDYHWXHSSA-N 1 1 284.356 1.705 20 5 CDBDMO CCN1CCC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034528 927642371 /nfs/dbraw/zinc/64/23/71/927642371.db2.gz HILGDYDOGMJRQV-TZMCWYRMSA-N 1 1 269.389 1.848 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3ncccc3C2)C1 ZINC001169034531 927642594 /nfs/dbraw/zinc/64/25/94/927642594.db2.gz HKBXNNWRIFSLDO-WCQYABFASA-N 1 1 261.325 1.885 20 5 CDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169017529 927657129 /nfs/dbraw/zinc/65/71/29/927657129.db2.gz AIKQHDHJJDXFOD-UMSGYPCISA-N 1 1 255.362 1.456 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019020 927660001 /nfs/dbraw/zinc/66/00/01/927660001.db2.gz GEGJZZQUFIUJCB-GJZGRUSLSA-N 1 1 293.411 1.850 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787101456 929314035 /nfs/dbraw/zinc/31/40/35/929314035.db2.gz IHSGXMUWCIWLBC-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816177 930966724 /nfs/dbraw/zinc/96/67/24/930966724.db2.gz OUPGDPDUNYIFKK-ZYHUDNBSSA-N 1 1 280.328 1.329 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1 ZINC001246129021 931084781 /nfs/dbraw/zinc/08/47/81/931084781.db2.gz ORHGKXCTLVEUMX-YPMHNXCESA-N 1 1 263.341 1.867 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12C[NH2+]C2 ZINC001246442360 931492982 /nfs/dbraw/zinc/49/29/82/931492982.db2.gz CWHRMKSBZLINJO-ZWNOBZJWSA-N 1 1 261.325 1.477 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000778273304 933989588 /nfs/dbraw/zinc/98/95/88/933989588.db2.gz YMFYHYUZWIBWQR-TZMCWYRMSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1cnc(NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161708756 938924227 /nfs/dbraw/zinc/92/42/27/938924227.db2.gz VEYCSWWBXXAEBL-UHFFFAOYSA-N 1 1 293.371 1.348 20 5 CDBDMO [NH3+][C@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])CCC1(F)F ZINC001164316290 939452381 /nfs/dbraw/zinc/45/23/81/939452381.db2.gz APVFEEHOGGNQNL-ZETCQYMHSA-N 1 1 292.673 1.816 20 5 CDBDMO [NH3+]CCON=c1[nH]c2c(cc1[N+](=O)[O-])CCCC2 ZINC001164414204 939471588 /nfs/dbraw/zinc/47/15/88/939471588.db2.gz FBMCAEIMTOTGGC-UHFFFAOYSA-N 1 1 252.274 1.171 20 5 CDBDMO C[NH+](C)Cc1ncccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225276938 941836589 /nfs/dbraw/zinc/83/65/89/941836589.db2.gz DAFIWPSJLDIOKB-ZDUSSCGKSA-N 1 1 265.313 1.577 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225592521 941886037 /nfs/dbraw/zinc/88/60/37/941886037.db2.gz HVTPFFGRYVDUKU-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225592521 941886039 /nfs/dbraw/zinc/88/60/39/941886039.db2.gz HVTPFFGRYVDUKU-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226732826 942060317 /nfs/dbraw/zinc/06/03/17/942060317.db2.gz ZVQUDEGTNYBVRX-SNVBAGLBSA-N 1 1 252.274 1.248 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236920 942155560 /nfs/dbraw/zinc/15/55/60/942155560.db2.gz BVBUAJWJNCPOPL-QMMMGPOBSA-N 1 1 263.253 1.819 20 5 CDBDMO Cc1nc(OC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382197 942462022 /nfs/dbraw/zinc/46/20/22/942462022.db2.gz QOEKBNYTAKIGIT-UHFFFAOYSA-N 1 1 294.311 1.404 20 5 CDBDMO C[N@@H+](CCCNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231064666 942772927 /nfs/dbraw/zinc/77/29/27/942772927.db2.gz LHDBNPZMHIYKCT-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001234900340 943968385 /nfs/dbraw/zinc/96/83/85/943968385.db2.gz IXSBTTHKPLFBSE-ZWKOPEQDSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001234900340 943968391 /nfs/dbraw/zinc/96/83/91/943968391.db2.gz IXSBTTHKPLFBSE-ZWKOPEQDSA-N 1 1 291.307 1.481 20 5 CDBDMO CC(=O)c1ccc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000388157367 944138341 /nfs/dbraw/zinc/13/83/41/944138341.db2.gz RRWFVNJOGNJDEI-LLVKDONJSA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1ccc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000388157367 944138345 /nfs/dbraw/zinc/13/83/45/944138345.db2.gz RRWFVNJOGNJDEI-LLVKDONJSA-N 1 1 264.281 1.880 20 5 CDBDMO CCNC(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551038 947519779 /nfs/dbraw/zinc/51/97/79/947519779.db2.gz WCJGENMOAKDBIQ-NSHDSACASA-N 1 1 279.340 1.594 20 5 CDBDMO CCNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551038 947519788 /nfs/dbraw/zinc/51/97/88/947519788.db2.gz WCJGENMOAKDBIQ-NSHDSACASA-N 1 1 279.340 1.594 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(COC2)C1 ZINC001254551004 947521885 /nfs/dbraw/zinc/52/18/85/947521885.db2.gz VEHYQNVQIUNQAJ-NSHDSACASA-N 1 1 262.309 1.858 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(O)C1 ZINC001254553831 947523750 /nfs/dbraw/zinc/52/37/50/947523750.db2.gz ZQIUUIKSIBOBNI-FZMZJTMJSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@]1(O)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254592924 947542900 /nfs/dbraw/zinc/54/29/00/947542900.db2.gz HEAKZSJHMGJHSC-QLFBSQMISA-N 1 1 294.326 1.857 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254592924 947542910 /nfs/dbraw/zinc/54/29/10/947542910.db2.gz HEAKZSJHMGJHSC-QLFBSQMISA-N 1 1 294.326 1.857 20 5 CDBDMO C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592749 947543111 /nfs/dbraw/zinc/54/31/11/947543111.db2.gz GJLAOLNOVYWSSD-QCZZGDTMSA-N 1 1 262.309 1.375 20 5 CDBDMO C[C@@H]1C[C@@H](O)CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604906 947554497 /nfs/dbraw/zinc/55/44/97/947554497.db2.gz YMCLGUGTWOXUTJ-ONERCXAPSA-N 1 1 276.336 1.907 20 5 CDBDMO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CNC1 ZINC001246123921 947972716 /nfs/dbraw/zinc/97/27/16/947972716.db2.gz VNBCKKPANRIQSY-CYBMUJFWSA-N 1 1 275.352 1.794 20 5 CDBDMO COc1c(C(=O)NCC[NH+]2CC=CC2)cccc1[N+](=O)[O-] ZINC001326835981 954583219 /nfs/dbraw/zinc/58/32/19/954583219.db2.gz OHEGUYQDESHUHZ-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001308167359 956483260 /nfs/dbraw/zinc/48/32/60/956483260.db2.gz UMANLKBTQUBMQR-GHMZBOCLSA-N 1 1 282.344 1.599 20 5 CDBDMO C[C@H]1C[N@H+](CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001321373427 959750666 /nfs/dbraw/zinc/75/06/66/959750666.db2.gz RMYYRHKSOSBEBS-LBPRGKRZSA-N 1 1 291.351 1.631 20 5 CDBDMO C[C@H]1C[N@@H+](CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001321373427 959750682 /nfs/dbraw/zinc/75/06/82/959750682.db2.gz RMYYRHKSOSBEBS-LBPRGKRZSA-N 1 1 291.351 1.631 20 5 CDBDMO Nc1cc(N[C@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001336495699 960368047 /nfs/dbraw/zinc/36/80/47/960368047.db2.gz RPRMIJGVSMTIDE-QMMMGPOBSA-N 1 1 263.301 1.221 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@H](C)C1 ZINC001338681276 961947365 /nfs/dbraw/zinc/94/73/65/961947365.db2.gz MQKWXSCDYVAPDE-NSHDSACASA-N 1 1 278.356 1.864 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353085466 967679391 /nfs/dbraw/zinc/67/93/91/967679391.db2.gz JHKFMQBIFHXJRY-LLVKDONJSA-N 1 1 278.312 1.098 20 5 CDBDMO CCN(CCOC)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577725968 1171730304 /nfs/dbraw/zinc/73/03/04/1171730304.db2.gz YMWHUURKHHIMBK-CQSZACIVSA-N 1 1 295.339 1.264 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000588016739 342490625 /nfs/dbraw/zinc/49/06/25/342490625.db2.gz XGOIIAITPVNHCJ-JTQLQIEISA-N 1 1 281.287 1.255 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000588016739 342490626 /nfs/dbraw/zinc/49/06/26/342490626.db2.gz XGOIIAITPVNHCJ-JTQLQIEISA-N 1 1 281.287 1.255 20 5 CDBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000590722800 342583939 /nfs/dbraw/zinc/58/39/39/342583939.db2.gz YJJCJBQWWOVXQN-AOOOYVTPSA-N 1 1 285.369 1.548 20 5 CDBDMO C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000590722800 342583940 /nfs/dbraw/zinc/58/39/40/342583940.db2.gz YJJCJBQWWOVXQN-AOOOYVTPSA-N 1 1 285.369 1.548 20 5 CDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600311851 342078750 /nfs/dbraw/zinc/07/87/50/342078750.db2.gz RCODRJFLVAXTEL-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592786183 342728501 /nfs/dbraw/zinc/72/85/01/342728501.db2.gz ZYLWBONARZTMSY-MWLCHTKSSA-N 1 1 293.323 1.882 20 5 CDBDMO CC(C)O[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593055897 342760043 /nfs/dbraw/zinc/76/00/43/342760043.db2.gz TVAAEXVIFCUHBZ-LBPRGKRZSA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CC[NH3+] ZINC000593730809 342830207 /nfs/dbraw/zinc/83/02/07/342830207.db2.gz HHQJASITFUEGBU-VXGBXAGGSA-N 1 1 281.360 1.241 20 5 CDBDMO C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CC[NH3+] ZINC000593733974 342830697 /nfs/dbraw/zinc/83/06/97/342830697.db2.gz PPURBMXHFYJSHS-YPMHNXCESA-N 1 1 281.360 1.241 20 5 CDBDMO Cc1noc(C[NH2+][C@H](C)Cn2cccn2)c1[N+](=O)[O-] ZINC000595309804 343032691 /nfs/dbraw/zinc/03/26/91/343032691.db2.gz BSQBAFLLHMWGHJ-MRVPVSSYSA-N 1 1 265.273 1.266 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000595399356 343048783 /nfs/dbraw/zinc/04/87/83/343048783.db2.gz ZOHGPCRRIVFPMH-SCZZXKLOSA-N 1 1 269.301 1.627 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1O ZINC000595404504 343049332 /nfs/dbraw/zinc/04/93/32/343049332.db2.gz ZBIAZLIVJKJMOD-RKDXNWHRSA-N 1 1 255.274 1.094 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1O ZINC000595404504 343049334 /nfs/dbraw/zinc/04/93/34/343049334.db2.gz ZBIAZLIVJKJMOD-RKDXNWHRSA-N 1 1 255.274 1.094 20 5 CDBDMO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595429143 343057971 /nfs/dbraw/zinc/05/79/71/343057971.db2.gz MADMHCMRJPUSCK-YUMQZZPRSA-N 1 1 285.300 1.569 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451934544 362049074 /nfs/dbraw/zinc/04/90/74/362049074.db2.gz VGYXNVPEFANPQV-OAHLLOKOSA-N 1 1 294.351 1.468 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103925 343228185 /nfs/dbraw/zinc/22/81/85/343228185.db2.gz HVEYXOBRSCRHNH-JTQLQIEISA-N 1 1 294.355 1.836 20 5 CDBDMO COCC[N@H+]1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116611 343231946 /nfs/dbraw/zinc/23/19/46/343231946.db2.gz ODDSKBZSZSSRGW-JTQLQIEISA-N 1 1 296.327 1.218 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596143857 343242424 /nfs/dbraw/zinc/24/24/24/343242424.db2.gz WKFGQCZQQJRZOS-LLVKDONJSA-N 1 1 294.355 1.864 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000596155350 343247215 /nfs/dbraw/zinc/24/72/15/343247215.db2.gz IHFPSBBAEXXSQH-RKDXNWHRSA-N 1 1 277.328 1.031 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596230449 343273218 /nfs/dbraw/zinc/27/32/18/343273218.db2.gz LAZOFMSWDPELHT-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090537989 342396309 /nfs/dbraw/zinc/39/63/09/342396309.db2.gz AMQVMKGKBOFWSF-NWDGAFQWSA-N 1 1 279.344 1.008 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090537989 342396310 /nfs/dbraw/zinc/39/63/10/342396310.db2.gz AMQVMKGKBOFWSF-NWDGAFQWSA-N 1 1 279.344 1.008 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000093345244 342424416 /nfs/dbraw/zinc/42/44/16/342424416.db2.gz IXSDYKPTXMANLM-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000093345244 342424417 /nfs/dbraw/zinc/42/44/17/342424417.db2.gz IXSDYKPTXMANLM-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926099 343664174 /nfs/dbraw/zinc/66/41/74/343664174.db2.gz VBYAFHQFXYRQCE-VIFPVBQESA-N 1 1 280.328 1.526 20 5 CDBDMO COC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598594162 343839758 /nfs/dbraw/zinc/83/97/58/343839758.db2.gz ZRKQDTPXXBGJQL-SECBINFHSA-N 1 1 294.311 1.140 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913877 343919092 /nfs/dbraw/zinc/91/90/92/343919092.db2.gz QWTBSCLGTALGEJ-UHFFFAOYSA-N 1 1 292.217 1.449 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000599175643 343965688 /nfs/dbraw/zinc/96/56/88/343965688.db2.gz GBHMZPJTNSKINC-SNVBAGLBSA-N 1 1 269.276 1.212 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704741 344547973 /nfs/dbraw/zinc/54/79/73/344547973.db2.gz HSCPQBRZCBBNHI-VIFPVBQESA-N 1 1 279.296 1.939 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000602800995 344590551 /nfs/dbraw/zinc/59/05/51/344590551.db2.gz KJAXIYNYSFHNLB-STQMWFEESA-N 1 1 296.371 1.583 20 5 CDBDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602864177 344637532 /nfs/dbraw/zinc/63/75/32/344637532.db2.gz NDWRGFXUYIFNEL-OLZOCXBDSA-N 1 1 296.371 1.989 20 5 CDBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602864177 344637533 /nfs/dbraw/zinc/63/75/33/344637533.db2.gz NDWRGFXUYIFNEL-OLZOCXBDSA-N 1 1 296.371 1.989 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603706522 344827495 /nfs/dbraw/zinc/82/74/95/344827495.db2.gz QOHSMMVIEOYFHM-MNOVXSKESA-N 1 1 292.339 1.290 20 5 CDBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000159329347 344829050 /nfs/dbraw/zinc/82/90/50/344829050.db2.gz ZMRSQRXAEZGDOJ-JTQLQIEISA-N 1 1 262.313 1.886 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292784883 362499279 /nfs/dbraw/zinc/49/92/79/362499279.db2.gz MDRSOGDDJHBSTQ-AOOOYVTPSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000609894917 346037292 /nfs/dbraw/zinc/03/72/92/346037292.db2.gz NFUYMOLCHNXWFR-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000610369713 346265016 /nfs/dbraw/zinc/26/50/16/346265016.db2.gz BOWPIKACXHIWLG-UHFFFAOYSA-N 1 1 298.339 1.685 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](CO)C1)OCCO2 ZINC000611266916 346728785 /nfs/dbraw/zinc/72/87/85/346728785.db2.gz ASTHGKAZPZACTO-SNVBAGLBSA-N 1 1 294.307 1.180 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](CO)C1)OCCO2 ZINC000611266916 346728788 /nfs/dbraw/zinc/72/87/88/346728788.db2.gz ASTHGKAZPZACTO-SNVBAGLBSA-N 1 1 294.307 1.180 20 5 CDBDMO Cc1ccoc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292082947 198157556 /nfs/dbraw/zinc/15/75/56/198157556.db2.gz DPQSOTUJSIGDBP-UHFFFAOYSA-N 1 1 291.307 1.790 20 5 CDBDMO Cc1ccoc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292082947 198157557 /nfs/dbraw/zinc/15/75/57/198157557.db2.gz DPQSOTUJSIGDBP-UHFFFAOYSA-N 1 1 291.307 1.790 20 5 CDBDMO CCNC(=O)C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153712586 188098907 /nfs/dbraw/zinc/09/89/07/188098907.db2.gz VASVEQCLNCBUCR-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153712586 188098908 /nfs/dbraw/zinc/09/89/08/188098908.db2.gz VASVEQCLNCBUCR-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO C[N@@H+](CCn1cccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154223070 188130229 /nfs/dbraw/zinc/13/02/29/188130229.db2.gz XTSPOKVRFFPHQR-AWEZNQCLSA-N 1 1 290.323 1.457 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000155815832 188228403 /nfs/dbraw/zinc/22/84/03/188228403.db2.gz QSQUJBPBXPMBEO-LLVKDONJSA-N 1 1 296.327 1.066 20 5 CDBDMO Cn1cc(C[N@@H+](C)CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157725213 188335950 /nfs/dbraw/zinc/33/59/50/188335950.db2.gz UUXBRCHUZQNKLI-UHFFFAOYSA-N 1 1 290.323 1.419 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276812505 366163903 /nfs/dbraw/zinc/16/39/03/366163903.db2.gz DTTLAYUNTCPHQA-BETUJISGSA-N 1 1 266.297 1.440 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276812505 366163909 /nfs/dbraw/zinc/16/39/09/366163909.db2.gz DTTLAYUNTCPHQA-BETUJISGSA-N 1 1 266.297 1.440 20 5 CDBDMO CN(CCC[NH+]1CCN(C)CC1)c1cccnc1[N+](=O)[O-] ZINC000609512629 356389969 /nfs/dbraw/zinc/38/99/69/356389969.db2.gz PZTHJMILMPKUJD-UHFFFAOYSA-N 1 1 293.371 1.064 20 5 CDBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000181122298 357316050 /nfs/dbraw/zinc/31/60/50/357316050.db2.gz OINYTOFSVZBJBG-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182032901 357401304 /nfs/dbraw/zinc/40/13/04/357401304.db2.gz WGIVZUZJFKHSIL-UHFFFAOYSA-N 1 1 297.742 1.946 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161544739 363583282 /nfs/dbraw/zinc/58/32/82/363583282.db2.gz NHYBYQICPAWORE-UHFFFAOYSA-N 1 1 268.317 1.288 20 5 CDBDMO Cc1ccnc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188500293 357904512 /nfs/dbraw/zinc/90/45/12/357904512.db2.gz PGOLSCYDNUCYKY-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO Cc1ccnc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188500293 357904513 /nfs/dbraw/zinc/90/45/13/357904513.db2.gz PGOLSCYDNUCYKY-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157219589 357908365 /nfs/dbraw/zinc/90/83/65/357908365.db2.gz HHPSLHCLCJAWKH-GWCFXTLKSA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157219589 357908367 /nfs/dbraw/zinc/90/83/67/357908367.db2.gz HHPSLHCLCJAWKH-GWCFXTLKSA-N 1 1 293.323 1.044 20 5 CDBDMO CSc1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337622601 358093033 /nfs/dbraw/zinc/09/30/33/358093033.db2.gz PQXXZWVILWSXJK-UHFFFAOYSA-N 1 1 295.364 1.752 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361403118 358174499 /nfs/dbraw/zinc/17/44/99/358174499.db2.gz MOPWMLGAOZMALF-CYBMUJFWSA-N 1 1 280.324 1.949 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)c1 ZINC000193523546 358300684 /nfs/dbraw/zinc/30/06/84/358300684.db2.gz PZZNWEPPGHWQSX-UHFFFAOYSA-N 1 1 280.328 1.311 20 5 CDBDMO CCOCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093312738 358599076 /nfs/dbraw/zinc/59/90/76/358599076.db2.gz ZTPAURLQMCTBEG-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000159406821 359070781 /nfs/dbraw/zinc/07/07/81/359070781.db2.gz LPAUCAJUUVMWHK-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)CC(C)(C)C ZINC000451779615 359080559 /nfs/dbraw/zinc/08/05/59/359080559.db2.gz LXIMECLVDCWSJL-LLVKDONJSA-N 1 1 284.360 1.520 20 5 CDBDMO CCOCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062875 359283449 /nfs/dbraw/zinc/28/34/49/359283449.db2.gz NZHMPOJVQWWHMM-UHFFFAOYSA-N 1 1 254.286 1.769 20 5 CDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049825093 359493075 /nfs/dbraw/zinc/49/30/75/359493075.db2.gz JPDGTMIGZLPKOT-UHFFFAOYSA-N 1 1 281.312 1.238 20 5 CDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049825093 359493077 /nfs/dbraw/zinc/49/30/77/359493077.db2.gz JPDGTMIGZLPKOT-UHFFFAOYSA-N 1 1 281.312 1.238 20 5 CDBDMO Cc1nc(NC[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297316286 200145476 /nfs/dbraw/zinc/14/54/76/200145476.db2.gz ZJPGKMDEOCQAJT-VIFPVBQESA-N 1 1 251.290 1.057 20 5 CDBDMO C[C@@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000135856246 360119164 /nfs/dbraw/zinc/11/91/64/360119164.db2.gz ZWZUWEFFHHFYAT-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO C[C@@]1(O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177210051 189037126 /nfs/dbraw/zinc/03/71/26/189037126.db2.gz FXMVRJNPCCZYJH-CYBMUJFWSA-N 1 1 277.280 1.693 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177210051 189037127 /nfs/dbraw/zinc/03/71/27/189037127.db2.gz FXMVRJNPCCZYJH-CYBMUJFWSA-N 1 1 277.280 1.693 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022056 189086195 /nfs/dbraw/zinc/08/61/95/189086195.db2.gz WCSHIARCNDYWKD-CQSZACIVSA-N 1 1 293.323 1.380 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178344634 189108487 /nfs/dbraw/zinc/10/84/87/189108487.db2.gz VWZAKHINNCNAPL-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180188534 189242230 /nfs/dbraw/zinc/24/22/30/189242230.db2.gz PGDWRERCCIOIQE-CYBMUJFWSA-N 1 1 250.298 1.860 20 5 CDBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180434935 189255067 /nfs/dbraw/zinc/25/50/67/189255067.db2.gz QXSICKRHVZDSCD-UHFFFAOYSA-N 1 1 292.339 1.171 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccsc3C2)n1 ZINC000132793643 361275323 /nfs/dbraw/zinc/27/53/23/361275323.db2.gz HRKXJQDNBYZFKK-UHFFFAOYSA-N 1 1 278.337 1.911 20 5 CDBDMO Cn1c[nH+]cc1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000302200689 201393160 /nfs/dbraw/zinc/39/31/60/201393160.db2.gz ZDHVOPONMXREEV-UHFFFAOYSA-N 1 1 291.267 1.891 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527514 364140533 /nfs/dbraw/zinc/14/05/33/364140533.db2.gz BWMBEOOBFXOPNO-SCZZXKLOSA-N 1 1 265.317 1.588 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000268273662 364606296 /nfs/dbraw/zinc/60/62/96/364606296.db2.gz VTERAJLSAKTZAN-WPRPVWTQSA-N 1 1 279.296 1.400 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C)CC1 ZINC000278769526 366901057 /nfs/dbraw/zinc/90/10/57/366901057.db2.gz UPERVSZVODVUOL-UHFFFAOYSA-N 1 1 293.323 1.442 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(CO)CC1 ZINC000089924473 366967718 /nfs/dbraw/zinc/96/77/18/366967718.db2.gz IHLGKGBDFKWAHR-UHFFFAOYSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000271954147 367042052 /nfs/dbraw/zinc/04/20/52/367042052.db2.gz YECNAFPRJUTNTI-UHFFFAOYSA-N 1 1 265.269 1.180 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272748104 367815354 /nfs/dbraw/zinc/81/53/54/367815354.db2.gz DOTSMQLMEMRBRZ-QMMMGPOBSA-N 1 1 293.327 1.007 20 5 CDBDMO CC1(C)C[NH2+]CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420353768 244130617 /nfs/dbraw/zinc/13/06/17/244130617.db2.gz CAHLLIAWCFPKDG-CQSZACIVSA-N 1 1 293.367 1.951 20 5 CDBDMO CC1(C)C[NH2+]CC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420355384 244132753 /nfs/dbraw/zinc/13/27/53/244132753.db2.gz DUVOISFXLDULGP-CQSZACIVSA-N 1 1 293.367 1.951 20 5 CDBDMO CC(C)(C)[C@H](C[NH3+])NCCOc1cccc([N+](=O)[O-])c1 ZINC000420354957 244133297 /nfs/dbraw/zinc/13/32/97/244133297.db2.gz DRROPLAFWWCILZ-ZDUSSCGKSA-N 1 1 281.356 1.937 20 5 CDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000026342636 370229005 /nfs/dbraw/zinc/22/90/05/370229005.db2.gz OOLSWCLDCOMJGA-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000026342636 370229011 /nfs/dbraw/zinc/22/90/11/370229011.db2.gz OOLSWCLDCOMJGA-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO C[NH+]1CCC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356509556 372911531 /nfs/dbraw/zinc/91/15/31/372911531.db2.gz HONMCZILXZENGE-UHFFFAOYSA-N 1 1 293.323 1.372 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000225346244 374242857 /nfs/dbraw/zinc/24/28/57/374242857.db2.gz JPLDWNUPXYCMJM-JTQLQIEISA-N 1 1 298.774 1.906 20 5 CDBDMO COCC[NH+](CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000078967613 374366697 /nfs/dbraw/zinc/36/66/97/374366697.db2.gz PHVWKCYRFMRXIA-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423441002 374381700 /nfs/dbraw/zinc/38/17/00/374381700.db2.gz XYGJQFHMLBVYOW-WUWHUORYSA-N 1 1 261.325 1.333 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000081524343 374513561 /nfs/dbraw/zinc/51/35/61/374513561.db2.gz NJBJMSUIDZQEGT-JTQLQIEISA-N 1 1 265.313 1.409 20 5 CDBDMO Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000275195237 374691113 /nfs/dbraw/zinc/69/11/13/374691113.db2.gz GLYNDFWILSQPAE-UHFFFAOYSA-N 1 1 277.324 1.726 20 5 CDBDMO CCOc1cc(C[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000276840823 374753379 /nfs/dbraw/zinc/75/33/79/374753379.db2.gz CFOSPFUTWAARDR-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@]1(O)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330442897 374854052 /nfs/dbraw/zinc/85/40/52/374854052.db2.gz AZXSYCQRUMSORS-GFCCVEGCSA-N 1 1 252.270 1.257 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330442897 374854059 /nfs/dbraw/zinc/85/40/59/374854059.db2.gz AZXSYCQRUMSORS-GFCCVEGCSA-N 1 1 252.270 1.257 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331463985 374957164 /nfs/dbraw/zinc/95/71/64/374957164.db2.gz HENBTMFAEQMFOC-JTQLQIEISA-N 1 1 291.307 1.267 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331463985 374957169 /nfs/dbraw/zinc/95/71/69/374957169.db2.gz HENBTMFAEQMFOC-JTQLQIEISA-N 1 1 291.307 1.267 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280421228 374995812 /nfs/dbraw/zinc/99/58/12/374995812.db2.gz ZEYAEPPMFGPVAS-CYBMUJFWSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@@H](CO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282744984 375101154 /nfs/dbraw/zinc/10/11/54/375101154.db2.gz JOKAHUYBZAUQOA-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282744984 375101160 /nfs/dbraw/zinc/10/11/60/375101160.db2.gz JOKAHUYBZAUQOA-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO COCC[C@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601160066 375391072 /nfs/dbraw/zinc/39/10/72/375391072.db2.gz QYRUVOUGARLZNH-SNVBAGLBSA-N 1 1 291.307 1.374 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347332096 375558632 /nfs/dbraw/zinc/55/86/32/375558632.db2.gz KTNLCKHGNVXDKN-UWVGGRQHSA-N 1 1 284.287 1.052 20 5 CDBDMO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000344931723 375664852 /nfs/dbraw/zinc/66/48/52/375664852.db2.gz LKTCGCOJCLZSMD-LBPRGKRZSA-N 1 1 292.339 1.407 20 5 CDBDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000344931723 375664855 /nfs/dbraw/zinc/66/48/55/375664855.db2.gz LKTCGCOJCLZSMD-LBPRGKRZSA-N 1 1 292.339 1.407 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000356278703 375831593 /nfs/dbraw/zinc/83/15/93/375831593.db2.gz JRULTIDTFOBFBF-AWEZNQCLSA-N 1 1 292.339 1.481 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357407156 375904516 /nfs/dbraw/zinc/90/45/16/375904516.db2.gz DYAPPCJGXUHVGK-SKDRFNHKSA-N 1 1 295.314 1.946 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114225 375952147 /nfs/dbraw/zinc/95/21/47/375952147.db2.gz FVCPUXXGOYWNHZ-CSPWOOARSA-N 1 1 291.351 1.264 20 5 CDBDMO CN1CC[C@@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114225 375952152 /nfs/dbraw/zinc/95/21/52/375952152.db2.gz FVCPUXXGOYWNHZ-CSPWOOARSA-N 1 1 291.351 1.264 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000354354677 376330797 /nfs/dbraw/zinc/33/07/97/376330797.db2.gz VJCWINZSZZDHMN-QWRGUYRKSA-N 1 1 281.360 1.637 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000175228592 379668227 /nfs/dbraw/zinc/66/82/27/379668227.db2.gz OKTGFDWPQBVSPP-NSHDSACASA-N 1 1 277.324 1.682 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863467 253106812 /nfs/dbraw/zinc/10/68/12/253106812.db2.gz CJGZBZJBSVTGHS-WBTMPAOCSA-N 1 1 289.335 1.818 20 5 CDBDMO O=C(CC[N@H+]1CC[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451186922 390603189 /nfs/dbraw/zinc/60/31/89/390603189.db2.gz CCACGYFJCHRTQX-JTQLQIEISA-N 1 1 281.287 1.967 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000451284707 390610075 /nfs/dbraw/zinc/61/00/75/390610075.db2.gz LKEYVDMBDKVMFR-UHFFFAOYSA-N 1 1 250.298 1.858 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000127805455 390797164 /nfs/dbraw/zinc/79/71/64/390797164.db2.gz HPSRZNFHBWSWOJ-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C1CC1 ZINC000423312562 390825705 /nfs/dbraw/zinc/82/57/05/390825705.db2.gz DLLYWBDPEGEFOZ-GXFFZTMASA-N 1 1 263.341 1.853 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C1CC1 ZINC000423312562 390825706 /nfs/dbraw/zinc/82/57/06/390825706.db2.gz DLLYWBDPEGEFOZ-GXFFZTMASA-N 1 1 263.341 1.853 20 5 CDBDMO CN1C[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000495790730 391122885 /nfs/dbraw/zinc/12/28/85/391122885.db2.gz ATOZWAXLHPVJRW-LBPRGKRZSA-N 1 1 293.323 1.520 20 5 CDBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000365824501 391281914 /nfs/dbraw/zinc/28/19/14/391281914.db2.gz HTAAJAGCQGHRAA-VXGBXAGGSA-N 1 1 281.356 1.129 20 5 CDBDMO C[N@@H+]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000365824501 391281917 /nfs/dbraw/zinc/28/19/17/391281917.db2.gz HTAAJAGCQGHRAA-VXGBXAGGSA-N 1 1 281.356 1.129 20 5 CDBDMO C[N@H+]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000365824501 391281918 /nfs/dbraw/zinc/28/19/18/391281918.db2.gz HTAAJAGCQGHRAA-VXGBXAGGSA-N 1 1 281.356 1.129 20 5 CDBDMO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105790736 391335508 /nfs/dbraw/zinc/33/55/08/391335508.db2.gz BJDZNDDFDMBTQX-NEPJUHHUSA-N 1 1 294.355 1.271 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CC2(CO)COC2)C2CC2)cc1 ZINC000305700804 391356906 /nfs/dbraw/zinc/35/69/06/391356906.db2.gz CWUVUFVPLIYUQK-UHFFFAOYSA-N 1 1 292.335 1.568 20 5 CDBDMO Cc1ccc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358351341 391592165 /nfs/dbraw/zinc/59/21/65/391592165.db2.gz LXKIVCQVVUVOCA-ZDUSSCGKSA-N 1 1 265.313 1.382 20 5 CDBDMO Cc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000437902883 391690606 /nfs/dbraw/zinc/69/06/06/391690606.db2.gz HYTSNDAJGMTXDY-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO Cc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000437902883 391690612 /nfs/dbraw/zinc/69/06/12/391690612.db2.gz HYTSNDAJGMTXDY-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000189648182 130004064 /nfs/dbraw/zinc/00/40/64/130004064.db2.gz MORVNOKYPVPVBK-CQSZACIVSA-N 1 1 280.324 1.832 20 5 CDBDMO CCOCC[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192790834 391814128 /nfs/dbraw/zinc/81/41/28/391814128.db2.gz BOCCPQVAXYJNBZ-UHFFFAOYSA-N 1 1 294.355 1.336 20 5 CDBDMO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000442760604 392492568 /nfs/dbraw/zinc/49/25/68/392492568.db2.gz VDCNFQPASODFGG-NWDGAFQWSA-N 1 1 279.340 1.643 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000421700274 392942715 /nfs/dbraw/zinc/94/27/15/392942715.db2.gz DNPWFQMHQVZBIB-CYBMUJFWSA-N 1 1 291.351 1.690 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000421701431 392943020 /nfs/dbraw/zinc/94/30/20/392943020.db2.gz HOMRAKPQOPPGCB-JTQLQIEISA-N 1 1 283.353 1.823 20 5 CDBDMO Cc1c(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423071986 392958824 /nfs/dbraw/zinc/95/88/24/392958824.db2.gz IKHVCCDZMZRKRA-MRVWCRGKSA-N 1 1 293.367 1.745 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913396 393031576 /nfs/dbraw/zinc/03/15/76/393031576.db2.gz GHWVQVHQAWFBAX-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000430196243 393090488 /nfs/dbraw/zinc/09/04/88/393090488.db2.gz QQVNTNVHNOMATO-SNVBAGLBSA-N 1 1 266.297 1.418 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000430221503 393092736 /nfs/dbraw/zinc/09/27/36/393092736.db2.gz RHBIOKJIPQNTBX-WDEREUQCSA-N 1 1 280.324 1.806 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000195308894 140152701 /nfs/dbraw/zinc/15/27/01/140152701.db2.gz ZZKZNCGQDZHUIW-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261798587 140389997 /nfs/dbraw/zinc/38/99/97/140389997.db2.gz RCNSUXKFVNWNBJ-KBPBESRZSA-N 1 1 275.352 1.679 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)CC[C@@H]1C ZINC000360903020 397901320 /nfs/dbraw/zinc/90/13/20/397901320.db2.gz AUECSSFOEVOHMK-JTQLQIEISA-N 1 1 281.360 1.650 20 5 CDBDMO CO[C@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339085 148255550 /nfs/dbraw/zinc/25/55/50/148255550.db2.gz LACBIKVMHQCCDF-MNOVXSKESA-N 1 1 280.328 1.511 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000311456245 149214511 /nfs/dbraw/zinc/21/45/11/149214511.db2.gz DPCBXUGJRWGWOT-ZDUSSCGKSA-N 1 1 264.325 1.984 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@@H]1CO ZINC000343716595 152276739 /nfs/dbraw/zinc/27/67/39/152276739.db2.gz BEYSZXDVYSUXRE-NSHDSACASA-N 1 1 298.364 1.383 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@@H]1CO ZINC000343716595 152276741 /nfs/dbraw/zinc/27/67/41/152276741.db2.gz BEYSZXDVYSUXRE-NSHDSACASA-N 1 1 298.364 1.383 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@H]1O ZINC000352697332 155372788 /nfs/dbraw/zinc/37/27/88/155372788.db2.gz KYLULUTZOZMWOK-CHWSQXEVSA-N 1 1 290.323 1.816 20 5 CDBDMO O=C1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346447415 153192002 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CDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923891132 621665211 /nfs/dbraw/zinc/66/52/11/621665211.db2.gz KINZIJTVZANYOG-LBPRGKRZSA-N 1 1 293.323 1.906 20 5 CDBDMO CC(C)[C@@H](CO)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929796403 631076361 /nfs/dbraw/zinc/07/63/61/631076361.db2.gz LHFUBFQAPNEBQR-CQSZACIVSA-N 1 1 266.341 1.782 20 5 CDBDMO COc1ccc(C[C@H](C)[NH+]2CC3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170326933 1162337790 /nfs/dbraw/zinc/33/77/90/1162337790.db2.gz CPESIWXNBUOFQC-NSHDSACASA-N 1 1 292.335 1.867 20 5 CDBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609157212 1164802914 /nfs/dbraw/zinc/80/29/14/1164802914.db2.gz PQPWBHVYNOWKAT-DTORHVGOSA-N 1 1 288.311 1.758 20 5 CDBDMO COc1cc(C)nc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001156007544 1167285505 /nfs/dbraw/zinc/28/55/05/1167285505.db2.gz QYMKZIBBUGAUHO-UHFFFAOYSA-N 1 1 291.311 1.924 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301752536 719372268 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1.368 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000873105676 768895413 /nfs/dbraw/zinc/89/54/13/768895413.db2.gz ALOVQZBAGKDPQV-OAHLLOKOSA-N 1 1 293.367 1.368 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000930457304 769122458 /nfs/dbraw/zinc/12/24/58/769122458.db2.gz AVUQOSPRBOGAMU-KFWWJZLASA-N 1 1 276.336 1.768 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH+]1CCCC1)CC2 ZINC000821704617 769311961 /nfs/dbraw/zinc/31/19/61/769311961.db2.gz DJSBPJGDQUPKCY-UHFFFAOYSA-N 1 1 289.335 1.888 20 5 CDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000724880782 769376242 /nfs/dbraw/zinc/37/62/42/769376242.db2.gz URQXLMLMIORFLA-CHWSQXEVSA-N 1 1 284.287 1.627 20 5 CDBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000134840051 769827686 /nfs/dbraw/zinc/82/76/86/769827686.db2.gz QTQYIPVQWYAXJO-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1cnnc1 ZINC000795643594 770010894 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C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000088056018 771309639 /nfs/dbraw/zinc/30/96/39/771309639.db2.gz YVJNIBYLSMECNR-KOLCDFICSA-N 1 1 292.339 1.390 20 5 CDBDMO Cc1nn(C)c(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000311996711 771396725 /nfs/dbraw/zinc/39/67/25/771396725.db2.gz QWHZLDLPJZVGAO-UHFFFAOYSA-N 1 1 264.289 1.254 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000886116972 771591117 /nfs/dbraw/zinc/59/11/17/771591117.db2.gz WIRPIBVFJFCPOZ-WCQYABFASA-N 1 1 279.340 1.973 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000930066323 771812219 /nfs/dbraw/zinc/81/22/19/771812219.db2.gz DSGIFSRXHDTYCP-KBPBESRZSA-N 1 1 282.315 1.990 20 5 CDBDMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000886221320 771836797 /nfs/dbraw/zinc/83/67/97/771836797.db2.gz XIRHXWIWXOMKIK-GFCCVEGCSA-N 1 1 290.367 1.906 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000882484211 771862364 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C[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018953 772012818 /nfs/dbraw/zinc/01/28/18/772012818.db2.gz CUPOSUHLEBBDNS-SECBINFHSA-N 1 1 276.296 1.530 20 5 CDBDMO CC[C@@H](CSC)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000091024945 772221127 /nfs/dbraw/zinc/22/11/27/772221127.db2.gz UGAXDHLVZMHNSF-VIFPVBQESA-N 1 1 258.347 1.822 20 5 CDBDMO CC[C@@H](CSC)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000091024945 772221138 /nfs/dbraw/zinc/22/11/38/772221138.db2.gz UGAXDHLVZMHNSF-VIFPVBQESA-N 1 1 258.347 1.822 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858868826 772336999 /nfs/dbraw/zinc/33/69/99/772336999.db2.gz RIGRSIVSWSZGIV-LBPRGKRZSA-N 1 1 293.323 1.276 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858868826 772337004 /nfs/dbraw/zinc/33/70/04/772337004.db2.gz RIGRSIVSWSZGIV-LBPRGKRZSA-N 1 1 293.323 1.276 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886160502 772582139 /nfs/dbraw/zinc/58/21/39/772582139.db2.gz VYIOODQCEXTCST-NSHDSACASA-N 1 1 265.313 1.583 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886160502 772582141 /nfs/dbraw/zinc/58/21/41/772582141.db2.gz VYIOODQCEXTCST-NSHDSACASA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559384 772586590 /nfs/dbraw/zinc/58/65/90/772586590.db2.gz PVJARJOYZYCOGE-LERXQTSPSA-N 1 1 280.324 1.473 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000881845177 772722154 /nfs/dbraw/zinc/72/21/54/772722154.db2.gz GYVBJSVYCJYCHC-MRVPVSSYSA-N 1 1 266.276 1.778 20 5 CDBDMO CC(=O)c1c(NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000882671645 772747968 /nfs/dbraw/zinc/74/79/68/772747968.db2.gz BBPSCYJOOIDIBD-NSHDSACASA-N 1 1 293.323 1.276 20 5 CDBDMO CC(=O)c1c(NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000882671645 772747972 /nfs/dbraw/zinc/74/79/72/772747972.db2.gz BBPSCYJOOIDIBD-NSHDSACASA-N 1 1 293.323 1.276 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591989 772817175 /nfs/dbraw/zinc/81/71/75/772817175.db2.gz NRUGVEDOIDUWBH-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO CCOCC[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885990340 772915935 /nfs/dbraw/zinc/91/59/35/772915935.db2.gz DVFCJRSICGQVNI-UHFFFAOYSA-N 1 1 294.355 1.144 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3CC3)n2)c1 ZINC000037606205 772972003 /nfs/dbraw/zinc/97/20/03/772972003.db2.gz LCVNYKZVIYOJKI-UHFFFAOYSA-N 1 1 260.253 1.897 20 5 CDBDMO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039485902 773169396 /nfs/dbraw/zinc/16/93/96/773169396.db2.gz SLVUBNYLTLJNGD-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001039485902 773169401 /nfs/dbraw/zinc/16/94/01/773169401.db2.gz SLVUBNYLTLJNGD-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001039485902 773169409 /nfs/dbraw/zinc/16/94/09/773169409.db2.gz SLVUBNYLTLJNGD-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CCc1nn(C)c(NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000807988897 773668104 /nfs/dbraw/zinc/66/81/04/773668104.db2.gz WRODIAWVJPAUAK-JTQLQIEISA-N 1 1 281.360 1.787 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)C1 ZINC001173226038 912316724 /nfs/dbraw/zinc/31/67/24/912316724.db2.gz KUWKZYSEKPPQIP-BXUZGUMPSA-N 1 1 264.325 1.983 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001167359677 895431715 /nfs/dbraw/zinc/43/17/15/895431715.db2.gz UWYSBOAINPCSRN-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148487157 913990501 /nfs/dbraw/zinc/99/05/01/913990501.db2.gz UMCYFMOLYFPGMX-QMMMGPOBSA-N 1 1 256.693 1.759 20 5 CDBDMO CNc1cc([N+](=O)[O-])cnc1NCc1ccc(N)[nH+]c1C ZINC001167785246 900651497 /nfs/dbraw/zinc/65/14/97/900651497.db2.gz MRVGJGGPUQXIRR-UHFFFAOYSA-N 1 1 288.311 1.929 20 5 CDBDMO O=C(NCC[NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936956 909941437 /nfs/dbraw/zinc/94/14/37/909941437.db2.gz YNVAULIEQYMDMF-VXGBXAGGSA-N 1 1 297.742 1.211 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000824615103 925831593 /nfs/dbraw/zinc/83/15/93/925831593.db2.gz WIEIAACFDIHFRY-SNVBAGLBSA-N 1 1 280.328 1.752 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010718 927617115 /nfs/dbraw/zinc/61/71/15/927617115.db2.gz FUEGNQWNWCFWSV-REWJHTLYSA-N 1 1 268.357 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001169012179 927618171 /nfs/dbraw/zinc/61/81/71/927618171.db2.gz OOFBYPMFXPTOOU-JHJVBQTASA-N 1 1 254.330 1.687 20 5 CDBDMO CCO[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027461 927632120 /nfs/dbraw/zinc/63/21/20/927632120.db2.gz PYWNWQKWWFMOSX-RWMBFGLXSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001169035592 927643758 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CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001169026557 927667195 /nfs/dbraw/zinc/66/71/95/927667195.db2.gz MKKTZAVJVAWZNK-JHJVBQTASA-N 1 1 253.346 1.212 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000881868881 929910076 /nfs/dbraw/zinc/91/00/76/929910076.db2.gz QVOYCANKLZYCOV-UWVGGRQHSA-N 1 1 296.302 1.404 20 5 CDBDMO COc1ccc([N+](=O)[O-])nc1N[C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001170977126 931123748 /nfs/dbraw/zinc/12/37/48/931123748.db2.gz UMBCMIBOOYZSGW-AXFHLTTASA-N 1 1 292.339 1.893 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001120959050 937850251 /nfs/dbraw/zinc/85/02/51/937850251.db2.gz FBZFNKQSLRNOPE-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001120959050 937850255 /nfs/dbraw/zinc/85/02/55/937850255.db2.gz FBZFNKQSLRNOPE-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001120959050 937850257 /nfs/dbraw/zinc/85/02/57/937850257.db2.gz FBZFNKQSLRNOPE-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO Cc1nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001157260005 938469957 /nfs/dbraw/zinc/46/99/57/938469957.db2.gz GVWHTVALOWNLJO-AAEUAGOBSA-N 1 1 276.340 1.829 20 5 CDBDMO O=C(NCCC[NH2+]CC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767482 938542813 /nfs/dbraw/zinc/54/28/13/938542813.db2.gz ODZCDMGLSZIXER-CHWSQXEVSA-N 1 1 281.356 1.248 20 5 CDBDMO [NH3+]Cc1ncn(-c2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001157928316 938564532 /nfs/dbraw/zinc/56/45/32/938564532.db2.gz HLPBXCVFWSLMIB-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO CC[N@H+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561342 938637342 /nfs/dbraw/zinc/63/73/42/938637342.db2.gz OWEJOKBCVVXVCH-UHFFFAOYSA-N 1 1 299.762 1.959 20 5 CDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc([N+](=O)[O-])cc1N)C2 ZINC001160473283 938789704 /nfs/dbraw/zinc/78/97/04/938789704.db2.gz UYFLOEDJZYCPPR-RTCCRHLQSA-N 1 1 291.355 1.999 20 5 CDBDMO C[N@@H+]1CCO[C@H](CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162688551 939118228 /nfs/dbraw/zinc/11/82/28/939118228.db2.gz RBGGQEAPNARACD-GFCCVEGCSA-N 1 1 290.323 1.819 20 5 CDBDMO C[N@H+]1CCO[C@H](CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162688551 939118229 /nfs/dbraw/zinc/11/82/29/939118229.db2.gz RBGGQEAPNARACD-GFCCVEGCSA-N 1 1 290.323 1.819 20 5 CDBDMO CC[C@@H](CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163044486 939183727 /nfs/dbraw/zinc/18/37/27/939183727.db2.gz BJFADDLRUQRGFO-QRGHLMKCSA-N 1 1 280.328 1.705 20 5 CDBDMO COc1nc(N2CCC(F)(F)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164320179 939455301 /nfs/dbraw/zinc/45/53/01/939455301.db2.gz ZNGZGLOXTDLNHW-QMMMGPOBSA-N 1 1 288.254 1.171 20 5 CDBDMO COc1cnc(N2CC[N@@H+](C(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001165199272 939522921 /nfs/dbraw/zinc/52/29/21/939522921.db2.gz NBCJBNQHCSOBEY-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)cc1O ZINC001218283676 941051268 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CC[N@@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227690953 942205163 /nfs/dbraw/zinc/20/51/63/942205163.db2.gz LJOVUWANNUSQIY-SECBINFHSA-N 1 1 291.311 1.729 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227690953 942205169 /nfs/dbraw/zinc/20/51/69/942205169.db2.gz LJOVUWANNUSQIY-SECBINFHSA-N 1 1 291.311 1.729 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802217 942379140 /nfs/dbraw/zinc/37/91/40/942379140.db2.gz GODCGPPLSKFSMN-VIFPVBQESA-N 1 1 290.275 1.784 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230229887 942592036 /nfs/dbraw/zinc/59/20/36/942592036.db2.gz HURMEBOROSBDKF-VIFPVBQESA-N 1 1 291.311 1.729 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595034 942651428 /nfs/dbraw/zinc/65/14/28/942651428.db2.gz IHPHHLZDKOKATN-SNVBAGLBSA-N 1 1 276.296 1.944 20 5 CDBDMO C[N@@H+]1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595034 942651430 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C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1C(N)=O ZINC001254550861 947522020 /nfs/dbraw/zinc/52/20/20/947522020.db2.gz SPYWDDIZPMMFHV-MFKMUULPSA-N 1 1 277.324 1.476 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@](C)(O)C1 ZINC001254552607 947522442 /nfs/dbraw/zinc/52/24/42/947522442.db2.gz NJYPLBPYXRUXMQ-SWLSCSKDSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@H]1CC[C@@H](CO)[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593549 947546840 /nfs/dbraw/zinc/54/68/40/947546840.db2.gz MVGZIIBHBSJDHF-LKTVYLICSA-N 1 1 276.336 1.907 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602587 947553811 /nfs/dbraw/zinc/55/38/11/947553811.db2.gz GQYKMNXPZYMURD-CQSZACIVSA-N 1 1 284.319 1.811 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602587 947553816 /nfs/dbraw/zinc/55/38/16/947553816.db2.gz GQYKMNXPZYMURD-CQSZACIVSA-N 1 1 284.319 1.811 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246315654 948102857 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1.875 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001328393768 955283165 /nfs/dbraw/zinc/28/31/65/955283165.db2.gz JODWTJWHPCFYDX-QWRGUYRKSA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001328393768 955283171 /nfs/dbraw/zinc/28/31/71/955283171.db2.gz JODWTJWHPCFYDX-QWRGUYRKSA-N 1 1 281.312 1.892 20 5 CDBDMO COC(=O)CC(C)(C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001352887155 967536159 /nfs/dbraw/zinc/53/61/59/967536159.db2.gz IIBRBJYEKXNOMT-UHFFFAOYSA-N 1 1 298.343 1.373 20 5 CDBDMO CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471817 968286840 /nfs/dbraw/zinc/28/68/40/968286840.db2.gz JMFLRTCEGHKAFX-LSMGEYOZSA-N 1 1 295.383 1.589 20 5 CDBDMO CC(=O)c1cc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199818 343979768 /nfs/dbraw/zinc/97/97/68/343979768.db2.gz RJCPSKHUKZUDCV-LBPRGKRZSA-N 1 1 293.323 1.276 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580323 342577526 /nfs/dbraw/zinc/57/75/26/342577526.db2.gz AIGSJMPXMAWLDO-PWSUYJOCSA-N 1 1 291.355 1.493 20 5 CDBDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200905 342095705 /nfs/dbraw/zinc/09/57/05/342095705.db2.gz CMVDZJIGADWQKI-JQWIXIFHSA-N 1 1 277.324 1.724 20 5 CDBDMO C[N@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699890 346848629 /nfs/dbraw/zinc/84/86/29/346848629.db2.gz IJSCKUAHQZMBCV-UHFFFAOYSA-N 1 1 287.323 1.680 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000075685054 342190174 /nfs/dbraw/zinc/19/01/74/342190174.db2.gz GNVATXKAVRIOLH-NSHDSACASA-N 1 1 270.333 1.130 20 5 CDBDMO C[C@H](CF)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588930535 342237443 /nfs/dbraw/zinc/23/74/43/342237443.db2.gz LSBNOCXYTRUSRN-MRVPVSSYSA-N 1 1 270.260 1.814 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075616204 342313415 /nfs/dbraw/zinc/31/34/15/342313415.db2.gz LLTBWCGTLSXBCJ-YPMHNXCESA-N 1 1 282.344 1.417 20 5 CDBDMO 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/nfs/dbraw/zinc/24/40/44/343244044.db2.gz WYZWOTHNRQFWAQ-KOLCDFICSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596181712 343250335 /nfs/dbraw/zinc/25/03/35/343250335.db2.gz DSHFOPFLIJGQJY-UWVGGRQHSA-N 1 1 292.339 1.223 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596236703 343282559 /nfs/dbraw/zinc/28/25/59/343282559.db2.gz LMAZNRFUAJCATF-JTQLQIEISA-N 1 1 294.355 1.834 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623521 344500631 /nfs/dbraw/zinc/50/06/31/344500631.db2.gz HLLGHNJMZFIVMF-KOLCDFICSA-N 1 1 250.302 1.703 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000602777067 344575983 /nfs/dbraw/zinc/57/59/83/344575983.db2.gz CEKWFCSDCNKPHA-UHFFFAOYSA-N 1 1 296.371 1.989 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)OCC1(C)C ZINC000602777067 344575986 /nfs/dbraw/zinc/57/59/86/344575986.db2.gz CEKWFCSDCNKPHA-UHFFFAOYSA-N 1 1 296.371 1.989 20 5 CDBDMO 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293.323 1.867 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000411908725 363376069 /nfs/dbraw/zinc/37/60/69/363376069.db2.gz IRZZPPSHWRKKGZ-RYUDHWBXSA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000411908725 363376071 /nfs/dbraw/zinc/37/60/71/363376071.db2.gz IRZZPPSHWRKKGZ-RYUDHWBXSA-N 1 1 296.323 1.185 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411942607 363378732 /nfs/dbraw/zinc/37/87/32/363378732.db2.gz PWTNUYMYVGGCEN-CYBMUJFWSA-N 1 1 291.351 1.813 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000358570196 356307714 /nfs/dbraw/zinc/30/77/14/356307714.db2.gz ZEAKMPLTJLXXIH-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO Cc1cc(NC(C)(C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000308663743 356332216 /nfs/dbraw/zinc/33/22/16/356332216.db2.gz NBNXJNCRQSLOMR-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590344393 357260589 /nfs/dbraw/zinc/26/05/89/357260589.db2.gz ILFYJXQJZWABCD-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO COc1ccc(C[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000332203473 358047704 /nfs/dbraw/zinc/04/77/04/358047704.db2.gz CYPDTRFEEMUVNZ-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO COc1ccc(C[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000332203473 358047706 /nfs/dbraw/zinc/04/77/06/358047706.db2.gz CYPDTRFEEMUVNZ-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192489600 358207643 /nfs/dbraw/zinc/20/76/43/358207643.db2.gz NLTCKRAXPXWMNH-TXEJJXNPSA-N 1 1 275.308 1.228 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193502954 358299889 /nfs/dbraw/zinc/29/98/89/358299889.db2.gz CCHNBEQTHDUHCI-UHFFFAOYSA-N 1 1 264.329 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000294844158 199209355 /nfs/dbraw/zinc/20/93/55/199209355.db2.gz AIUSKFWBUFPVNP-NSHDSACASA-N 1 1 297.330 1.993 20 5 CDBDMO CC[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341573464 358661650 /nfs/dbraw/zinc/66/16/50/358661650.db2.gz DRVMAULYUVACEV-CQSZACIVSA-N 1 1 279.340 1.879 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239411 358745559 /nfs/dbraw/zinc/74/55/59/358745559.db2.gz NSIBMMSEFUQGKI-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239411 358745561 /nfs/dbraw/zinc/74/55/61/358745561.db2.gz NSIBMMSEFUQGKI-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176195960 358736918 /nfs/dbraw/zinc/73/69/18/358736918.db2.gz IMFQEDUBSICBQS-ZDUSSCGKSA-N 1 1 289.339 1.967 20 5 CDBDMO COc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000450775891 359001345 /nfs/dbraw/zinc/00/13/45/359001345.db2.gz GQPUYLASKRMVFX-TVQRCGJNSA-N 1 1 295.314 1.883 20 5 CDBDMO CC[N@@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000338765403 359165262 /nfs/dbraw/zinc/16/52/62/359165262.db2.gz DTJAACBVGVGTGM-UHFFFAOYSA-N 1 1 297.359 1.028 20 5 CDBDMO CC(C)(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000131285232 359241196 /nfs/dbraw/zinc/24/11/96/359241196.db2.gz WFLBIKIOFFCDDB-UHFFFAOYSA-N 1 1 295.339 1.559 20 5 CDBDMO O=[N+]([O-])c1ccccc1NCCNc1[nH+]cnc2[nH]ccc21 ZINC000339134270 359296588 /nfs/dbraw/zinc/29/65/88/359296588.db2.gz UJVFTZTZPYPWKH-UHFFFAOYSA-N 1 1 298.306 1.812 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049956561 359527026 /nfs/dbraw/zinc/52/70/26/359527026.db2.gz FOGIAEJQMBSYAM-LLVKDONJSA-N 1 1 292.339 1.391 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000173570450 237345125 /nfs/dbraw/zinc/34/51/25/237345125.db2.gz PWACWKWQHDNDNR-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000173570450 237345133 /nfs/dbraw/zinc/34/51/33/237345133.db2.gz PWACWKWQHDNDNR-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000135642804 359803270 /nfs/dbraw/zinc/80/32/70/359803270.db2.gz VYQQTGRISIIEJE-NSHDSACASA-N 1 1 252.314 1.840 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906178 363669197 /nfs/dbraw/zinc/66/91/97/363669197.db2.gz ARHWAVNSJFJDKR-KCJUWKMLSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906178 363669201 /nfs/dbraw/zinc/66/92/01/363669201.db2.gz ARHWAVNSJFJDKR-KCJUWKMLSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354947448 360326689 /nfs/dbraw/zinc/32/66/89/360326689.db2.gz GIWCMFPSCKUOQB-SNVBAGLBSA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000487558153 360621894 /nfs/dbraw/zinc/62/18/94/360621894.db2.gz IXBYVIGSBDWOHR-PELKAZGASA-N 1 1 281.287 1.870 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000572725572 361679277 /nfs/dbraw/zinc/67/92/77/361679277.db2.gz TXSZXYDEBLSGPT-SECBINFHSA-N 1 1 278.312 1.527 20 5 CDBDMO Cc1cccc(OC[C@@H](O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312876211 364995641 /nfs/dbraw/zinc/99/56/41/364995641.db2.gz ZHUYAQCZFQUPDA-LBPRGKRZSA-N 1 1 282.340 1.983 20 5 CDBDMO C[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000546105168 365212280 /nfs/dbraw/zinc/21/22/80/365212280.db2.gz WHZBAGGDMLWWCU-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000546105168 365212288 /nfs/dbraw/zinc/21/22/88/365212288.db2.gz WHZBAGGDMLWWCU-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000272427181 367731119 /nfs/dbraw/zinc/73/11/19/367731119.db2.gz HEXQFRAFOQZRAU-ZJUUUORDSA-N 1 1 295.364 1.823 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000272427181 367731128 /nfs/dbraw/zinc/73/11/28/367731128.db2.gz HEXQFRAFOQZRAU-ZJUUUORDSA-N 1 1 295.364 1.823 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000090794990 368132771 /nfs/dbraw/zinc/13/27/71/368132771.db2.gz WBVRYKBRKXHOMC-ZJUUUORDSA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603220 203025571 /nfs/dbraw/zinc/02/55/71/203025571.db2.gz HVHPOLJJVQVSGL-NWDGAFQWSA-N 1 1 291.351 1.688 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000577194214 317284094 /nfs/dbraw/zinc/28/40/94/317284094.db2.gz FPJQGILPJKNLED-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@H](CN)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286177 244027082 /nfs/dbraw/zinc/02/70/82/244027082.db2.gz FTQMLVQKPOQFKB-JTQLQIEISA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@@H](CN)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286177 244027088 /nfs/dbraw/zinc/02/70/88/244027088.db2.gz FTQMLVQKPOQFKB-JTQLQIEISA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330664892 203093559 /nfs/dbraw/zinc/09/35/59/203093559.db2.gz GSLWFXKACWPLRA-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330664892 203093561 /nfs/dbraw/zinc/09/35/61/203093561.db2.gz GSLWFXKACWPLRA-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827570 369684437 /nfs/dbraw/zinc/68/44/37/369684437.db2.gz MFYIHPXFLCEOMF-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827570 369684440 /nfs/dbraw/zinc/68/44/40/369684440.db2.gz MFYIHPXFLCEOMF-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO COCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269641618 373244604 /nfs/dbraw/zinc/24/46/04/373244604.db2.gz CNLUYYDNAFTPOP-LBPRGKRZSA-N 1 1 254.286 1.206 20 5 CDBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000266516109 373944106 /nfs/dbraw/zinc/94/41/06/373944106.db2.gz GOLAUXJGBSDDQR-GFCCVEGCSA-N 1 1 268.317 1.027 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CO)C2)c(F)c1 ZINC000310917807 374238382 /nfs/dbraw/zinc/23/83/82/374238382.db2.gz GQRWPDPUBJIWQX-VIFPVBQESA-N 1 1 254.261 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(F)c1 ZINC000310917807 374238388 /nfs/dbraw/zinc/23/83/88/374238388.db2.gz GQRWPDPUBJIWQX-VIFPVBQESA-N 1 1 254.261 1.548 20 5 CDBDMO Cc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530188 374387846 /nfs/dbraw/zinc/38/78/46/374387846.db2.gz WONOWGGOUKSVDD-DGCLKSJQSA-N 1 1 279.340 1.542 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000371309339 374414729 /nfs/dbraw/zinc/41/47/29/374414729.db2.gz XBBZOWNTMRFDSG-SNVBAGLBSA-N 1 1 250.302 1.560 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000371340093 374416918 /nfs/dbraw/zinc/41/69/18/374416918.db2.gz AZQKYSJALYXZLY-LLVKDONJSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000371340093 374416924 /nfs/dbraw/zinc/41/69/24/374416924.db2.gz AZQKYSJALYXZLY-LLVKDONJSA-N 1 1 293.323 1.184 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000376645478 374566516 /nfs/dbraw/zinc/56/65/16/374566516.db2.gz UNQVEXJUMDGHLK-RYUDHWBXSA-N 1 1 293.371 1.244 20 5 CDBDMO Cc1nn(C)c(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000274456074 374673880 /nfs/dbraw/zinc/67/38/80/374673880.db2.gz JPYXSHXSIJXVDQ-UHFFFAOYSA-N 1 1 267.333 1.167 20 5 CDBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016713 374879474 /nfs/dbraw/zinc/87/94/74/374879474.db2.gz VGDNSOHMCMZGGF-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016713 374879483 /nfs/dbraw/zinc/87/94/83/374879483.db2.gz VGDNSOHMCMZGGF-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330543871 374862777 /nfs/dbraw/zinc/86/27/77/374862777.db2.gz BJFXHZRLEPTSEA-LLVKDONJSA-N 1 1 294.355 1.773 20 5 CDBDMO CC(C)[N@H+](C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000332395440 375030212 /nfs/dbraw/zinc/03/02/12/375030212.db2.gz SPVVANIZVCAQAU-UHFFFAOYSA-N 1 1 280.288 1.219 20 5 CDBDMO CC(C)[N@@H+](C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000332395440 375030222 /nfs/dbraw/zinc/03/02/22/375030222.db2.gz SPVVANIZVCAQAU-UHFFFAOYSA-N 1 1 280.288 1.219 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000332696093 375045127 /nfs/dbraw/zinc/04/51/27/375045127.db2.gz LKYMQEFXKWRVPJ-SNVBAGLBSA-N 1 1 280.328 1.337 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281796683 375057254 /nfs/dbraw/zinc/05/72/54/375057254.db2.gz SRPZBYYZJMCWTP-UHFFFAOYSA-N 1 1 295.343 1.184 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354572313 375725528 /nfs/dbraw/zinc/72/55/28/375725528.db2.gz QGTVAXYYBOLNCS-LBPRGKRZSA-N 1 1 291.355 1.553 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000345012233 375714971 /nfs/dbraw/zinc/71/49/71/375714971.db2.gz PIKONXUCNVKZJA-BDAKNGLRSA-N 1 1 266.301 1.135 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000058926659 375841866 /nfs/dbraw/zinc/84/18/66/375841866.db2.gz VSCVJOKHOQVWQJ-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO COC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000134228878 375939803 /nfs/dbraw/zinc/93/98/03/375939803.db2.gz DWWZMGFXZLOQFH-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO COC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000134228878 375939810 /nfs/dbraw/zinc/93/98/10/375939810.db2.gz DWWZMGFXZLOQFH-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270065 375946825 /nfs/dbraw/zinc/94/68/25/375946825.db2.gz LAOOPKCRRCCOKB-VIFPVBQESA-N 1 1 281.287 1.415 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172188492 377340108 /nfs/dbraw/zinc/34/01/08/377340108.db2.gz QQEZOXWKRWPASU-LBPRGKRZSA-N 1 1 268.313 1.424 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266940276 378875707 /nfs/dbraw/zinc/87/57/07/378875707.db2.gz PRKXKWVJMFOCCQ-MNOVXSKESA-N 1 1 252.318 1.912 20 5 CDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000278613078 194068097 /nfs/dbraw/zinc/06/80/97/194068097.db2.gz FYGFLWLHXGUIAS-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000278613078 194068099 /nfs/dbraw/zinc/06/80/99/194068099.db2.gz FYGFLWLHXGUIAS-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO Cn1cncc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446848410 250318838 /nfs/dbraw/zinc/31/88/38/250318838.db2.gz HMAWVRXCMVIFGM-UHFFFAOYSA-N 1 1 286.295 1.494 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCOC ZINC000175163247 379646904 /nfs/dbraw/zinc/64/69/04/379646904.db2.gz YPQJIIYFGNNZRK-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCOC ZINC000175163247 379646913 /nfs/dbraw/zinc/64/69/13/379646913.db2.gz YPQJIIYFGNNZRK-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882554 379605789 /nfs/dbraw/zinc/60/57/89/379605789.db2.gz LOTYAADTCWECRP-TZMCWYRMSA-N 1 1 296.371 1.927 20 5 CDBDMO C[C@H](O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570522 251344188 /nfs/dbraw/zinc/34/41/88/251344188.db2.gz PFQWZQOHYJRNQK-QWRGUYRKSA-N 1 1 280.328 1.247 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)s1 ZINC000192466079 285176945 /nfs/dbraw/zinc/17/69/45/285176945.db2.gz KONUUANYCFAHDB-VIFPVBQESA-N 1 1 266.326 1.502 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288406093 197069342 /nfs/dbraw/zinc/06/93/42/197069342.db2.gz LKZWXONMPQKMSF-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288406093 197069343 /nfs/dbraw/zinc/06/93/43/197069343.db2.gz LKZWXONMPQKMSF-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288406093 197069344 /nfs/dbraw/zinc/06/93/44/197069344.db2.gz LKZWXONMPQKMSF-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288406093 197069345 /nfs/dbraw/zinc/06/93/45/197069345.db2.gz LKZWXONMPQKMSF-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048922072 390467064 /nfs/dbraw/zinc/46/70/64/390467064.db2.gz LWPXXQCKRKHWCS-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000048922072 390467068 /nfs/dbraw/zinc/46/70/68/390467068.db2.gz LWPXXQCKRKHWCS-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000451079744 390593130 /nfs/dbraw/zinc/59/31/30/390593130.db2.gz AGYDERHIGMACKH-LBPRGKRZSA-N 1 1 293.371 1.207 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000362374993 390833090 /nfs/dbraw/zinc/83/30/90/390833090.db2.gz ZXHCSXXRUOMPIV-JOYOIKCWSA-N 1 1 263.297 1.731 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000290108569 390946082 /nfs/dbraw/zinc/94/60/82/390946082.db2.gz KIDJTADXMBTMKI-SNVBAGLBSA-N 1 1 295.343 1.840 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113704 391108021 /nfs/dbraw/zinc/10/80/21/391108021.db2.gz YGZIFSPWSXPISH-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113704 391108023 /nfs/dbraw/zinc/10/80/23/391108023.db2.gz YGZIFSPWSXPISH-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO COC(=O)[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000190086318 130058632 /nfs/dbraw/zinc/05/86/32/130058632.db2.gz YRKHENILNWSXFJ-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO COC(=O)[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000190086318 130058633 /nfs/dbraw/zinc/05/86/33/130058633.db2.gz YRKHENILNWSXFJ-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386798 130101898 /nfs/dbraw/zinc/10/18/98/130101898.db2.gz LLTBWCGTLSXBCJ-WCQYABFASA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354747192 391921484 /nfs/dbraw/zinc/92/14/84/391921484.db2.gz XNDBHRYALAUUNB-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H](O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459504912 392449565 /nfs/dbraw/zinc/44/95/65/392449565.db2.gz IAWMEEYUDPWOEH-GFCCVEGCSA-N 1 1 294.355 1.273 20 5 CDBDMO CCCNCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305685 392960033 /nfs/dbraw/zinc/96/00/33/392960033.db2.gz CENCZBIFWHTYQM-CHWSQXEVSA-N 1 1 295.387 1.864 20 5 CDBDMO NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338216 392963112 /nfs/dbraw/zinc/96/31/12/392963112.db2.gz VTXOSEUXWOOCDY-VXGBXAGGSA-N 1 1 293.371 1.746 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000430247137 393094580 /nfs/dbraw/zinc/09/45/80/393094580.db2.gz YIGHNQRWVSWIJO-ZIAGYGMSSA-N 1 1 296.323 1.449 20 5 CDBDMO Cc1cccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278785626 393142707 /nfs/dbraw/zinc/14/27/07/393142707.db2.gz PURFBCCHSQLJFR-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO C[N@H+]1CC[C@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658020 140082694 /nfs/dbraw/zinc/08/26/94/140082694.db2.gz BQUPOHXZELWNEA-VIFPVBQESA-N 1 1 289.291 1.143 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[N@@H+](C)C1CC1 ZINC000192777508 140144507 /nfs/dbraw/zinc/14/45/07/140144507.db2.gz GXEMNZNQFKJMPQ-UHFFFAOYSA-N 1 1 281.360 1.650 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261798591 140390034 /nfs/dbraw/zinc/39/00/34/140390034.db2.gz RCNSUXKFVNWNBJ-KGLIPLIRSA-N 1 1 275.352 1.679 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000122341665 147394376 /nfs/dbraw/zinc/39/43/76/147394376.db2.gz AXEPCJMCJHETBP-UHFFFAOYSA-N 1 1 295.314 1.441 20 5 CDBDMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177857428 148043952 /nfs/dbraw/zinc/04/39/52/148043952.db2.gz HWPGTWQLCRXNAL-AAEUAGOBSA-N 1 1 284.360 1.520 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@H+]1C ZINC000343449088 152181609 /nfs/dbraw/zinc/18/16/09/152181609.db2.gz OBJMMMQSGGAETI-ZJUUUORDSA-N 1 1 280.328 1.146 20 5 CDBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](C)O ZINC000352186319 155004876 /nfs/dbraw/zinc/00/48/76/155004876.db2.gz KZQVRQSNIIDSOF-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352187723 155007552 /nfs/dbraw/zinc/00/75/52/155007552.db2.gz UFHHMWJKEWKDJL-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352187723 155007556 /nfs/dbraw/zinc/00/75/56/155007556.db2.gz UFHHMWJKEWKDJL-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352222425 155035437 /nfs/dbraw/zinc/03/54/37/155035437.db2.gz QNJGGKHDQZOBQN-VIFPVBQESA-N 1 1 286.303 1.945 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000359254161 158184133 /nfs/dbraw/zinc/18/41/33/158184133.db2.gz SIIYWJZRYDLGCJ-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359809528 158385297 /nfs/dbraw/zinc/38/52/97/158385297.db2.gz OJKXYOLOGFPVFW-AWEZNQCLSA-N 1 1 296.323 1.057 20 5 CDBDMO C[C@H](CO)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000284337036 196033372 /nfs/dbraw/zinc/03/33/72/196033372.db2.gz BWVZHBIIRBDIPF-SNVBAGLBSA-N 1 1 254.286 1.286 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682106 196363993 /nfs/dbraw/zinc/36/39/93/196363993.db2.gz NFNPZFYCVYFXAE-NSHDSACASA-N 1 1 268.313 1.940 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537769 175199811 /nfs/dbraw/zinc/19/98/11/175199811.db2.gz FJTIHMLWALFGKJ-SNVBAGLBSA-N 1 1 292.339 1.447 20 5 CDBDMO C[NH2+]CCCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414857789 273960529 /nfs/dbraw/zinc/96/05/29/273960529.db2.gz GCWUJBKKNLVMOY-LLVKDONJSA-N 1 1 294.355 1.511 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000112925939 276071038 /nfs/dbraw/zinc/07/10/38/276071038.db2.gz ITPNKPPSNRZPQO-UHFFFAOYSA-N 1 1 294.355 1.342 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]2C1 ZINC000365119489 277199059 /nfs/dbraw/zinc/19/90/59/277199059.db2.gz ZWSAUEIRMQABAF-DTORHVGOSA-N 1 1 289.295 1.129 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802461 279031158 /nfs/dbraw/zinc/03/11/58/279031158.db2.gz PLAUWKLVDMKZCA-LLVKDONJSA-N 1 1 294.355 1.907 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000340859204 523142191 /nfs/dbraw/zinc/14/21/91/523142191.db2.gz AMVJBZJAGXMMGA-LBPRGKRZSA-N 1 1 295.387 1.896 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000068806561 523889385 /nfs/dbraw/zinc/88/93/85/523889385.db2.gz JPLDWNUPXYCMJM-SNVBAGLBSA-N 1 1 298.774 1.906 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000313826038 535970498 /nfs/dbraw/zinc/97/04/98/535970498.db2.gz MEFOCGHQRKUPJV-UHFFFAOYSA-N 1 1 297.359 1.254 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893730 576441436 /nfs/dbraw/zinc/44/14/36/576441436.db2.gz OJRTVPRXSYXAJI-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742195728 576586172 /nfs/dbraw/zinc/58/61/72/576586172.db2.gz JKDONDOOSMNZRX-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742195728 576586174 /nfs/dbraw/zinc/58/61/74/576586174.db2.gz JKDONDOOSMNZRX-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]([NH3+])c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184114 617400739 /nfs/dbraw/zinc/40/07/39/617400739.db2.gz FNFOBSSSNNWTDV-QMMMGPOBSA-N 1 1 277.284 1.652 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971952 617911398 /nfs/dbraw/zinc/91/13/98/617911398.db2.gz WMBSUZRRQZCXBI-QWRGUYRKSA-N 1 1 281.360 1.861 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000928554432 619360498 /nfs/dbraw/zinc/36/04/98/619360498.db2.gz KEDXNHNSNCEVBA-LLVKDONJSA-N 1 1 291.351 1.693 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000928554432 619360501 /nfs/dbraw/zinc/36/05/01/619360501.db2.gz KEDXNHNSNCEVBA-LLVKDONJSA-N 1 1 291.351 1.693 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247446 619493970 /nfs/dbraw/zinc/49/39/70/619493970.db2.gz TXLNJQIPTCEPAP-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895247446 619493978 /nfs/dbraw/zinc/49/39/78/619493978.db2.gz TXLNJQIPTCEPAP-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895247446 619493980 /nfs/dbraw/zinc/49/39/80/619493980.db2.gz TXLNJQIPTCEPAP-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923891131 621664927 /nfs/dbraw/zinc/66/49/27/621664927.db2.gz KINZIJTVZANYOG-GFCCVEGCSA-N 1 1 293.323 1.906 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cccnc1[N+](=O)[O-] ZINC000923891131 621664934 /nfs/dbraw/zinc/66/49/34/621664934.db2.gz KINZIJTVZANYOG-GFCCVEGCSA-N 1 1 293.323 1.906 20 5 CDBDMO O=[N+]([O-])CCNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000899859479 622486585 /nfs/dbraw/zinc/48/65/85/622486585.db2.gz KRSGDKIREUGSRN-LLVKDONJSA-N 1 1 253.302 1.283 20 5 CDBDMO CCc1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000899858818 622486794 /nfs/dbraw/zinc/48/67/94/622486794.db2.gz CGYWDUYAQXDWRM-AWEZNQCLSA-N 1 1 265.357 1.718 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1sccc1Br ZINC000905072536 626617167 /nfs/dbraw/zinc/61/71/67/626617167.db2.gz AUZOKWMIRJASMV-UHFFFAOYSA-N 1 1 265.132 1.877 20 5 CDBDMO COc1ccc(C2=NO[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905254293 626707173 /nfs/dbraw/zinc/70/71/73/626707173.db2.gz KKTQZTFJJQKVPO-GFCCVEGCSA-N 1 1 279.296 1.055 20 5 CDBDMO C[C@@H](c1cccc(NCC[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000905320475 626747410 /nfs/dbraw/zinc/74/74/10/626747410.db2.gz ZODJRSVSRKPLFN-LBPRGKRZSA-N 1 1 279.340 1.768 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000905383129 626778667 /nfs/dbraw/zinc/77/86/67/626778667.db2.gz SAXORXNSDCKWEJ-UHFFFAOYSA-N 1 1 260.196 1.374 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634806 719213287 /nfs/dbraw/zinc/21/32/87/719213287.db2.gz HBDODGNNLLUGEC-DTWKUNHWSA-N 1 1 265.317 1.101 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630670 719151705 /nfs/dbraw/zinc/15/17/05/719151705.db2.gz LPECWWVWVIPVDZ-HTQZYQBOSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630670 719151709 /nfs/dbraw/zinc/15/17/09/719151709.db2.gz LPECWWVWVIPVDZ-HTQZYQBOSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639358 719169818 /nfs/dbraw/zinc/16/98/18/719169818.db2.gz SBNXWMAPJVADRY-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639358 719169820 /nfs/dbraw/zinc/16/98/20/719169820.db2.gz SBNXWMAPJVADRY-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000712289645 773763726 /nfs/dbraw/zinc/76/37/26/773763726.db2.gz VMJBHCXTINQJST-KWCYVHTRSA-N 1 1 262.309 1.798 20 5 CDBDMO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000106857703 773802559 /nfs/dbraw/zinc/80/25/59/773802559.db2.gz ODMGWDKKHWEBAT-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000106857703 773802565 /nfs/dbraw/zinc/80/25/65/773802565.db2.gz ODMGWDKKHWEBAT-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591325 773894756 /nfs/dbraw/zinc/89/47/56/773894756.db2.gz MZWPLQRZRSTLLN-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO C[NH2+]Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000843192434 774072155 /nfs/dbraw/zinc/07/21/55/774072155.db2.gz VEXAUBWHOBXQOD-UHFFFAOYSA-N 1 1 262.269 1.596 20 5 CDBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675402 774532993 /nfs/dbraw/zinc/53/29/93/774532993.db2.gz XNIGTUAZBCZUCM-MGPQQGTHSA-N 1 1 290.319 1.469 20 5 CDBDMO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675402 774533004 /nfs/dbraw/zinc/53/30/04/774533004.db2.gz XNIGTUAZBCZUCM-MGPQQGTHSA-N 1 1 290.319 1.469 20 5 CDBDMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675402 774533016 /nfs/dbraw/zinc/53/30/16/774533016.db2.gz XNIGTUAZBCZUCM-MGPQQGTHSA-N 1 1 290.319 1.469 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139519 774545104 /nfs/dbraw/zinc/54/51/04/774545104.db2.gz CLQUFNDHURRTRW-FDYHWXHSSA-N 1 1 281.356 1.079 20 5 CDBDMO C[C@H]1CC2(C[N@H+]1Cn1nccc1[N+](=O)[O-])CCOCC2 ZINC000842638084 774818216 /nfs/dbraw/zinc/81/82/16/774818216.db2.gz HUUJEQIVSMNHBG-NSHDSACASA-N 1 1 280.328 1.640 20 5 CDBDMO CCC[N@@H+](CC)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125320 774873659 /nfs/dbraw/zinc/87/36/59/774873659.db2.gz DIXJCRUEMKGNCL-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCN(CC)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125320 774873661 /nfs/dbraw/zinc/87/36/61/774873661.db2.gz DIXJCRUEMKGNCL-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835328560 774895531 /nfs/dbraw/zinc/89/55/31/774895531.db2.gz OWHWTGJSHWZLKY-UHFFFAOYSA-N 1 1 269.301 1.570 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865883850 774897611 /nfs/dbraw/zinc/89/76/11/774897611.db2.gz NORCEUCMOPFSNO-LLVKDONJSA-N 1 1 297.330 1.757 20 5 CDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932638031 775280112 /nfs/dbraw/zinc/28/01/12/775280112.db2.gz DPVNDRGFFMWBKF-LBPRGKRZSA-N 1 1 278.308 1.980 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792458 775358436 /nfs/dbraw/zinc/35/84/36/775358436.db2.gz UZAHNCMOBOLLSP-FZMZJTMJSA-N 1 1 282.340 1.721 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398843 775600790 /nfs/dbraw/zinc/60/07/90/775600790.db2.gz ILRZKRNKTYLOJA-FZMZJTMJSA-N 1 1 291.351 1.909 20 5 CDBDMO C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840283327 775746705 /nfs/dbraw/zinc/74/67/05/775746705.db2.gz CXUWVQBSYVTSQX-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318012 775749676 /nfs/dbraw/zinc/74/96/76/775749676.db2.gz HJQFXTZFWUTMTF-NWDGAFQWSA-N 1 1 281.312 1.226 20 5 CDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318012 775749695 /nfs/dbraw/zinc/74/96/95/775749695.db2.gz HJQFXTZFWUTMTF-NWDGAFQWSA-N 1 1 281.312 1.226 20 5 CDBDMO C[N@H+](CCCF)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000887140197 775839163 /nfs/dbraw/zinc/83/91/63/775839163.db2.gz UUANTSBQTXDMSD-UHFFFAOYSA-N 1 1 295.314 1.775 20 5 CDBDMO C[N@@H+](CCCF)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000887140197 775839164 /nfs/dbraw/zinc/83/91/64/775839164.db2.gz UUANTSBQTXDMSD-UHFFFAOYSA-N 1 1 295.314 1.775 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546320 776004400 /nfs/dbraw/zinc/00/44/00/776004400.db2.gz PQFODODAHYVPBA-YPMHNXCESA-N 1 1 282.344 1.884 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546320 776004404 /nfs/dbraw/zinc/00/44/04/776004404.db2.gz PQFODODAHYVPBA-YPMHNXCESA-N 1 1 282.344 1.884 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570639 776300139 /nfs/dbraw/zinc/30/01/39/776300139.db2.gz GLDRYKLGCGSUOQ-ZDUSSCGKSA-N 1 1 280.324 1.597 20 5 CDBDMO O=[N+]([O-])c1ncccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000887462897 776811852 /nfs/dbraw/zinc/81/18/52/776811852.db2.gz HIGRPMBRJZYRBP-UHFFFAOYSA-N 1 1 288.311 1.225 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030555 776816958 /nfs/dbraw/zinc/81/69/58/776816958.db2.gz NJVVTNQOKPLGBD-LLVKDONJSA-N 1 1 265.313 1.848 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592618 776976918 /nfs/dbraw/zinc/97/69/18/776976918.db2.gz QZUUMXFZINNBJB-CHWSQXEVSA-N 1 1 266.297 1.085 20 5 CDBDMO Cc1nn(C[N@@H+](C)CC2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000124716771 777178006 /nfs/dbraw/zinc/17/80/06/777178006.db2.gz ZSRUZHFVQIWRQX-UHFFFAOYSA-N 1 1 282.344 1.724 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886181343 777512261 /nfs/dbraw/zinc/51/22/61/777512261.db2.gz KAGINEQIJLRMTH-ZDUSSCGKSA-N 1 1 265.313 1.727 20 5 CDBDMO COc1ccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929431188 777534204 /nfs/dbraw/zinc/53/42/04/777534204.db2.gz UTFTWZZZEXHHQN-GFCCVEGCSA-N 1 1 250.298 1.761 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[NH+](C)C)CC2 ZINC000785421459 777705159 /nfs/dbraw/zinc/70/51/59/777705159.db2.gz GFAVHBYRUQVXKO-UHFFFAOYSA-N 1 1 263.297 1.354 20 5 CDBDMO C[C@@H]1[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000776597111 777847596 /nfs/dbraw/zinc/84/75/96/777847596.db2.gz HJIPJSSFBRMFFB-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597111 777847598 /nfs/dbraw/zinc/84/75/98/777847598.db2.gz HJIPJSSFBRMFFB-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597111 777847606 /nfs/dbraw/zinc/84/76/06/777847606.db2.gz HJIPJSSFBRMFFB-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1OCCCO1 ZINC000922279730 777940666 /nfs/dbraw/zinc/94/06/66/777940666.db2.gz XWHUYQAJJIABEB-UHFFFAOYSA-N 1 1 296.323 1.846 20 5 CDBDMO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945760 778039039 /nfs/dbraw/zinc/03/90/39/778039039.db2.gz LHPABTQZDFBQSS-GHMZBOCLSA-N 1 1 278.356 1.827 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796742 778105283 /nfs/dbraw/zinc/10/52/83/778105283.db2.gz ZDIASTVDWADNEZ-OSAQELSMSA-N 1 1 294.351 1.579 20 5 CDBDMO COCCCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000841691001 778237998 /nfs/dbraw/zinc/23/79/98/778237998.db2.gz NUXQAHIILAIJPS-UHFFFAOYSA-N 1 1 270.333 1.724 20 5 CDBDMO COCCCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000841691001 778238007 /nfs/dbraw/zinc/23/80/07/778238007.db2.gz NUXQAHIILAIJPS-UHFFFAOYSA-N 1 1 270.333 1.724 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836950152 778326850 /nfs/dbraw/zinc/32/68/50/778326850.db2.gz VVGQXHLRXQJTFJ-LBPRGKRZSA-N 1 1 285.388 1.765 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000796402287 778473866 /nfs/dbraw/zinc/47/38/66/778473866.db2.gz JSSWNZOAEVVFEV-UHFFFAOYSA-N 1 1 292.299 1.068 20 5 CDBDMO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886091486 778551627 /nfs/dbraw/zinc/55/16/27/778551627.db2.gz BBMAVLYHLBTEML-JTQLQIEISA-N 1 1 250.302 1.126 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886102877 778812826 /nfs/dbraw/zinc/81/28/26/778812826.db2.gz STCUQIYLYNVMEY-GHMZBOCLSA-N 1 1 264.329 1.514 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886571586 779003850 /nfs/dbraw/zinc/00/38/50/779003850.db2.gz AVLCCIPWIBUAED-ADEWGFFLSA-N 1 1 263.297 1.193 20 5 CDBDMO [NH3+]CC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923481807 779194858 /nfs/dbraw/zinc/19/48/58/779194858.db2.gz MAKDFMRCIRFRRZ-JTQLQIEISA-N 1 1 290.323 1.907 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879964620 779245885 /nfs/dbraw/zinc/24/58/85/779245885.db2.gz LAFISGDODGXPDL-LBPRGKRZSA-N 1 1 296.371 1.583 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129193090 779357569 /nfs/dbraw/zinc/35/75/69/779357569.db2.gz BLAVCNOPPHACSK-DGCLKSJQSA-N 1 1 279.344 1.165 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCSC[C@H]2CO)cc1 ZINC000784219638 779637648 /nfs/dbraw/zinc/63/76/48/779637648.db2.gz HEJSBLHFAWXKRK-CHWSQXEVSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000784219638 779637662 /nfs/dbraw/zinc/63/76/62/779637662.db2.gz HEJSBLHFAWXKRK-CHWSQXEVSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000791055800 779780521 /nfs/dbraw/zinc/78/05/21/779780521.db2.gz YLRPOLIUWNFBTM-AWEZNQCLSA-N 1 1 264.325 1.536 20 5 CDBDMO Cc1nn(C[N@H+](C)C[C@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000107672241 779887492 /nfs/dbraw/zinc/88/74/92/779887492.db2.gz ZEDZXFMTVMDTPR-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000107672241 779887496 /nfs/dbraw/zinc/88/74/96/779887496.db2.gz ZEDZXFMTVMDTPR-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000886081077 780053505 /nfs/dbraw/zinc/05/35/05/780053505.db2.gz IPJOHDQHWONLGC-AAEUAGOBSA-N 1 1 277.324 1.848 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000863483646 780107028 /nfs/dbraw/zinc/10/70/28/780107028.db2.gz PBAAYMOJZNAFTR-JTQLQIEISA-N 1 1 285.731 1.326 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001173221037 912306227 /nfs/dbraw/zinc/30/62/27/912306227.db2.gz FLIPZLTVFRYQRU-LEWSCRJBSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001173221037 912306245 /nfs/dbraw/zinc/30/62/45/912306245.db2.gz FLIPZLTVFRYQRU-LEWSCRJBSA-N 1 1 282.315 1.931 20 5 CDBDMO Cc1ccnc(N2CCc3[nH+]ccn3CC2)c1[N+](=O)[O-] ZINC001167178293 894814578 /nfs/dbraw/zinc/81/45/78/894814578.db2.gz SENNZRSZJSIXRI-UHFFFAOYSA-N 1 1 273.296 1.557 20 5 CDBDMO COc1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)cc1F ZINC001167278806 895031925 /nfs/dbraw/zinc/03/19/25/895031925.db2.gz STFSLCFZEFIGCZ-QMMMGPOBSA-N 1 1 269.276 1.859 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629099 903402894 /nfs/dbraw/zinc/40/28/94/903402894.db2.gz DQVNOEUAOPMHOZ-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO CNc1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)C)C1 ZINC001168313336 908988284 /nfs/dbraw/zinc/98/82/84/908988284.db2.gz UMISPQDTTUNJSJ-UHFFFAOYSA-N 1 1 265.317 1.536 20 5 CDBDMO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126932104 909881864 /nfs/dbraw/zinc/88/18/64/909881864.db2.gz IVEULKNUAFLSFN-ZIAGYGMSSA-N 1 1 291.351 1.174 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000698120410 911199612 /nfs/dbraw/zinc/19/96/12/911199612.db2.gz VTFGEIKYBBLJPQ-ZWNOBZJWSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000698120410 911199619 /nfs/dbraw/zinc/19/96/19/911199619.db2.gz VTFGEIKYBBLJPQ-ZWNOBZJWSA-N 1 1 284.287 1.052 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(C3COC3)CC2)C1 ZINC001169006784 927612166 /nfs/dbraw/zinc/61/21/66/927612166.db2.gz YXFJROABDPBEPV-ZIAGYGMSSA-N 1 1 297.399 1.132 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169007139 927612644 /nfs/dbraw/zinc/61/26/44/927612644.db2.gz LKHSZSHRFHZMNS-YIYPIFLZSA-N 1 1 268.357 1.933 20 5 CDBDMO O=c1ccc2c([nH]1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040380 927652925 /nfs/dbraw/zinc/65/29/25/927652925.db2.gz ZMVFPBHTQKFSDA-WCQYABFASA-N 1 1 291.351 1.633 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170900554 930703109 /nfs/dbraw/zinc/70/31/09/930703109.db2.gz VZCOFNIVTABNMW-NSHDSACASA-N 1 1 263.301 1.512 20 5 CDBDMO COC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865419 934754628 /nfs/dbraw/zinc/75/46/28/934754628.db2.gz NPWSUJTXUXENFI-JTQLQIEISA-N 1 1 254.290 1.026 20 5 CDBDMO COC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865419 934754631 /nfs/dbraw/zinc/75/46/31/934754631.db2.gz NPWSUJTXUXENFI-JTQLQIEISA-N 1 1 254.290 1.026 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826535 937839746 /nfs/dbraw/zinc/83/97/46/937839746.db2.gz ANMDZXXZNRMQFO-ZYHUDNBSSA-N 1 1 291.355 1.493 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156661039 938402778 /nfs/dbraw/zinc/40/27/78/938402778.db2.gz TWKGTXFLEVSBGI-CYBMUJFWSA-N 1 1 285.307 1.807 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C(C)(C)C1 ZINC001158569808 938638464 /nfs/dbraw/zinc/63/84/64/938638464.db2.gz YTPGGPLKOSXMQU-UHFFFAOYSA-N 1 1 279.344 1.614 20 5 CDBDMO COc1nc(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162330770 939025663 /nfs/dbraw/zinc/02/56/63/939025663.db2.gz IWTUDMQUKQZZJN-LBPRGKRZSA-N 1 1 281.316 1.290 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ncc([N+](=O)[O-])cc1N)C2 ZINC001165385143 939554946 /nfs/dbraw/zinc/55/49/46/939554946.db2.gz OMEKBACQZAJGDE-UHFFFAOYSA-N 1 1 274.284 1.097 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1ncc([N+](=O)[O-])c1N ZINC001330061083 941555103 /nfs/dbraw/zinc/55/51/03/941555103.db2.gz WQVUWUOYOCPJCH-SNVBAGLBSA-N 1 1 267.333 1.636 20 5 CDBDMO O=[N+]([O-])C[C@@H](OCCC[NH+]1CCOCC1)c1cccnc1 ZINC001224868850 941800723 /nfs/dbraw/zinc/80/07/23/941800723.db2.gz BMIDVDBKJOJUSH-CQSZACIVSA-N 1 1 295.339 1.138 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795103 941914256 /nfs/dbraw/zinc/91/42/56/941914256.db2.gz CPCUGLRIKGLQKG-SNVBAGLBSA-N 1 1 284.287 1.833 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225886860 941925049 /nfs/dbraw/zinc/92/50/49/941925049.db2.gz LJWUKLSXYXTXEE-QMMMGPOBSA-N 1 1 285.231 1.725 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225886860 941925050 /nfs/dbraw/zinc/92/50/50/941925050.db2.gz LJWUKLSXYXTXEE-QMMMGPOBSA-N 1 1 285.231 1.725 20 5 CDBDMO Cc1ccnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001226116652 941953553 /nfs/dbraw/zinc/95/35/53/941953553.db2.gz SRDQQCGFEMWTHA-MVWJERBFSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001226116652 941953555 /nfs/dbraw/zinc/95/35/55/941953555.db2.gz SRDQQCGFEMWTHA-MVWJERBFSA-N 1 1 291.307 1.481 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236919 942155362 /nfs/dbraw/zinc/15/53/62/942155362.db2.gz BVBUAJWJNCPOPL-MRVPVSSYSA-N 1 1 263.253 1.819 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987627 942252608 /nfs/dbraw/zinc/25/26/08/942252608.db2.gz JJDVLTDBIVHFPA-LLVKDONJSA-N 1 1 251.286 1.851 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654562 942348923 /nfs/dbraw/zinc/34/89/23/942348923.db2.gz LAXTYSNAYHKKBS-VIFPVBQESA-N 1 1 252.274 1.246 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230369 942592399 /nfs/dbraw/zinc/59/23/99/942592399.db2.gz OSJYWQVRZHRUCN-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001254550443 947520098 /nfs/dbraw/zinc/52/00/98/947520098.db2.gz JUEQFELLNAANRG-WXHSDQCUSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001254550443 947520108 /nfs/dbraw/zinc/52/01/08/947520108.db2.gz JUEQFELLNAANRG-WXHSDQCUSA-N 1 1 282.315 1.931 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ncco1)C2 ZINC001254564879 947528209 /nfs/dbraw/zinc/52/82/09/947528209.db2.gz BHSZZNXTMAHNMW-NSHDSACASA-N 1 1 259.265 1.840 20 5 CDBDMO C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592747 947543015 /nfs/dbraw/zinc/54/30/15/947543015.db2.gz GJLAOLNOVYWSSD-FZZIBODNSA-N 1 1 262.309 1.375 20 5 CDBDMO CC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595032 947547645 /nfs/dbraw/zinc/54/76/45/947547645.db2.gz VBGIPKYRFCREMT-HNNXBMFYSA-N 1 1 289.335 1.226 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1CO)C2 ZINC001254601087 947548542 /nfs/dbraw/zinc/54/85/42/947548542.db2.gz ZBXPPJMABTXHFW-CABCVRRESA-N 1 1 276.336 1.909 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@]13CCOC3)C2 ZINC001254610525 947556179 /nfs/dbraw/zinc/55/61/79/947556179.db2.gz KLMCZAXJRWGMGT-HUUCEWRRSA-N 1 1 274.320 1.927 20 5 CDBDMO N[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565441 948283378 /nfs/dbraw/zinc/28/33/78/948283378.db2.gz CANLKEXNCRGTHQ-LPEHRKFASA-N 1 1 281.278 1.397 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327983095 955147053 /nfs/dbraw/zinc/14/70/53/955147053.db2.gz NQDIRJBDMBJVNG-NSHDSACASA-N 1 1 277.328 1.589 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2CCC1CC2 ZINC001331772260 957254011 /nfs/dbraw/zinc/25/40/11/957254011.db2.gz XBIITCUTSFONHC-UHFFFAOYSA-N 1 1 264.329 1.974 20 5 CDBDMO C[NH+](C)C(C)(C)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335385190 959763985 /nfs/dbraw/zinc/76/39/85/959763985.db2.gz XNOBUEZYQVQTSH-CYBMUJFWSA-N 1 1 281.356 1.558 20 5 CDBDMO Nc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337732701 961390318 /nfs/dbraw/zinc/39/03/18/961390318.db2.gz DPDDJCTWHGKAMP-VHSXEESVSA-N 1 1 277.328 1.611 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337734079 961392100 /nfs/dbraw/zinc/39/21/00/961392100.db2.gz NROWHMQCNDZBCB-JTQLQIEISA-N 1 1 279.344 1.716 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001337788140 961419738 /nfs/dbraw/zinc/41/97/38/961419738.db2.gz MQMBRUJAAAULMS-IUCAKERBSA-N 1 1 265.317 1.467 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001346025877 964890314 /nfs/dbraw/zinc/89/03/14/964890314.db2.gz CHRFFWRPFXVDGK-VXGBXAGGSA-N 1 1 276.340 1.759 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000588996688 342477961 /nfs/dbraw/zinc/47/79/61/342477961.db2.gz OBKVTHYEZVXWIX-PHIMTYICSA-N 1 1 292.339 1.545 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C)CC2)c1 ZINC000589493729 342507860 /nfs/dbraw/zinc/50/78/60/342507860.db2.gz WDNJYHPPGSNPGB-UHFFFAOYSA-N 1 1 293.323 1.129 20 5 CDBDMO C[C@@H]1C[C@H]([NH3+])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000124623909 342065479 /nfs/dbraw/zinc/06/54/79/342065479.db2.gz GZHVSWXGLBPOAC-DGCLKSJQSA-N 1 1 263.341 1.949 20 5 CDBDMO CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592830994 342741452 /nfs/dbraw/zinc/74/14/52/342741452.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592830994 342741453 /nfs/dbraw/zinc/74/14/53/342741453.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592830994 342741455 /nfs/dbraw/zinc/74/14/55/342741455.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593106750 342768552 /nfs/dbraw/zinc/76/85/52/342768552.db2.gz BQFAJWKEESRHTN-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032709 342997571 /nfs/dbraw/zinc/99/75/71/342997571.db2.gz LKFJAMDIOXSHHM-SNVBAGLBSA-N 1 1 295.339 1.732 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595409366 343050958 /nfs/dbraw/zinc/05/09/58/343050958.db2.gz WPKFKZBRAIZFJV-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595409366 343050959 /nfs/dbraw/zinc/05/09/59/343050959.db2.gz WPKFKZBRAIZFJV-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595429627 343058033 /nfs/dbraw/zinc/05/80/33/343058033.db2.gz SDUXCIPKBRUNGB-MNOVXSKESA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595429627 343058034 /nfs/dbraw/zinc/05/80/34/343058034.db2.gz SDUXCIPKBRUNGB-MNOVXSKESA-N 1 1 283.328 1.874 20 5 CDBDMO CC[C@H](C)[N@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595494887 343076943 /nfs/dbraw/zinc/07/69/43/343076943.db2.gz CVCAZGQAFLWBNL-QMMMGPOBSA-N 1 1 257.290 1.484 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595494887 343076945 /nfs/dbraw/zinc/07/69/45/343076945.db2.gz CVCAZGQAFLWBNL-QMMMGPOBSA-N 1 1 257.290 1.484 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1=CCSC1 ZINC000595888403 343181147 /nfs/dbraw/zinc/18/11/47/343181147.db2.gz LHPMNWXCWJSHKE-UHFFFAOYSA-N 1 1 295.364 1.362 20 5 CDBDMO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000596110602 343230061 /nfs/dbraw/zinc/23/00/61/343230061.db2.gz QPAVXFQNYPFAIZ-MRVPVSSYSA-N 1 1 266.301 1.590 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C[N@H+]1C ZINC000596176941 343261188 /nfs/dbraw/zinc/26/11/88/343261188.db2.gz ACJOYNVYRXTHFR-ZJUUUORDSA-N 1 1 292.339 1.223 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598342017 343770841 /nfs/dbraw/zinc/77/08/41/343770841.db2.gz JVVSQQDCUNSDQV-LBPRGKRZSA-N 1 1 295.314 1.948 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341996 343770870 /nfs/dbraw/zinc/77/08/70/343770870.db2.gz ATUKAJMPEKMWEM-JTQLQIEISA-N 1 1 280.328 1.147 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175652 343965757 /nfs/dbraw/zinc/96/57/57/343965757.db2.gz GTACXMSZSHSWCV-LLVKDONJSA-N 1 1 265.313 1.382 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971454 344300490 /nfs/dbraw/zinc/30/04/90/344300490.db2.gz BSJHLTIEZKQSAI-TXEJJXNPSA-N 1 1 278.308 1.552 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000601973041 344300737 /nfs/dbraw/zinc/30/07/37/344300737.db2.gz KNRTYHFDYWYISJ-PHIMTYICSA-N 1 1 296.298 1.821 20 5 CDBDMO CCn1ncnc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000602539824 344472686 /nfs/dbraw/zinc/47/26/86/344472686.db2.gz LEZLKHZESHFBLD-UHFFFAOYSA-N 1 1 291.311 1.375 20 5 CDBDMO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000292692082 362491539 /nfs/dbraw/zinc/49/15/39/362491539.db2.gz RPPZFQPBRONONK-NSHDSACASA-N 1 1 297.330 1.545 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c([N+](=O)[O-])ncn1C ZINC000265224803 362450636 /nfs/dbraw/zinc/45/06/36/362450636.db2.gz PGEYBWXUZNRBJA-JTQLQIEISA-N 1 1 267.333 1.106 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000602831147 344614233 /nfs/dbraw/zinc/61/42/33/344614233.db2.gz HCXTZZZFQRAYGP-PHIMTYICSA-N 1 1 281.360 1.124 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000602862881 344617999 /nfs/dbraw/zinc/61/79/99/344617999.db2.gz GBSHJEDTGDHKBB-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000602862881 344618000 /nfs/dbraw/zinc/61/80/00/344618000.db2.gz GBSHJEDTGDHKBB-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905305 344656118 /nfs/dbraw/zinc/65/61/18/344656118.db2.gz MEOVDZUJSLCGDY-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905305 344656119 /nfs/dbraw/zinc/65/61/19/344656119.db2.gz MEOVDZUJSLCGDY-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000602990533 344681589 /nfs/dbraw/zinc/68/15/89/344681589.db2.gz XPJIGGLQRVSBGP-ZYHUDNBSSA-N 1 1 282.344 1.193 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000602836737 344618881 /nfs/dbraw/zinc/61/88/81/344618881.db2.gz HLLWKKAVGGITRY-LBPRGKRZSA-N 1 1 290.327 1.243 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839177 344620755 /nfs/dbraw/zinc/62/07/55/344620755.db2.gz IJWXBDHJZGDTLR-ZDUSSCGKSA-N 1 1 295.387 1.516 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293029488 362526293 /nfs/dbraw/zinc/52/62/93/362526293.db2.gz GDSQWIVEERXHHT-ZDUSSCGKSA-N 1 1 280.324 1.820 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000052875606 345307184 /nfs/dbraw/zinc/30/71/84/345307184.db2.gz VYKFNJLKAIMNMS-UHFFFAOYSA-N 1 1 294.355 1.463 20 5 CDBDMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057719218 347086726 /nfs/dbraw/zinc/08/67/26/347086726.db2.gz CRECXCUABUWXMG-NSHDSACASA-N 1 1 291.351 1.736 20 5 CDBDMO Cc1nn(C)c(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609560637 345807735 /nfs/dbraw/zinc/80/77/35/345807735.db2.gz AVKVMXIVFSZYIM-UHFFFAOYSA-N 1 1 295.387 1.947 20 5 CDBDMO C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000089203820 346177167 /nfs/dbraw/zinc/17/71/67/346177167.db2.gz GTOXMVHNAWJMJD-ZETCQYMHSA-N 1 1 277.284 1.360 20 5 CDBDMO O=[N+]([O-])c1sccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000610276485 346240193 /nfs/dbraw/zinc/24/01/93/346240193.db2.gz ZQCFXWJVJWQLAV-JQWIXIFHSA-N 1 1 297.380 1.692 20 5 CDBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000611259091 346723487 /nfs/dbraw/zinc/72/34/87/346723487.db2.gz LRFDASNKTYLFFO-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000061469133 347459774 /nfs/dbraw/zinc/45/97/74/347459774.db2.gz UAXGBWDQZNLSPC-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413387 347553827 /nfs/dbraw/zinc/55/38/27/347553827.db2.gz SMWQSTUIJDMPNO-CQSZACIVSA-N 1 1 291.351 1.943 20 5 CDBDMO COCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066380201 348983024 /nfs/dbraw/zinc/98/30/24/348983024.db2.gz FEPOQQITQTVJRP-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267853421 362950555 /nfs/dbraw/zinc/95/05/55/362950555.db2.gz WYXCXWOPQXUXES-GWCFXTLKSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267853421 362950549 /nfs/dbraw/zinc/95/05/49/362950549.db2.gz WYXCXWOPQXUXES-GWCFXTLKSA-N 1 1 293.323 1.643 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122847338 187055208 /nfs/dbraw/zinc/05/52/08/187055208.db2.gz WZJMSNURFCEWBP-UHFFFAOYSA-N 1 1 279.340 1.514 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000292118973 198170341 /nfs/dbraw/zinc/17/03/41/198170341.db2.gz AHRYTBZSTFZVQL-FZMZJTMJSA-N 1 1 264.325 1.983 20 5 CDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152432880 188018683 /nfs/dbraw/zinc/01/86/83/188018683.db2.gz WVFDGFQKOHSNHR-UHFFFAOYSA-N 1 1 295.339 1.293 20 5 CDBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156879829 188285540 /nfs/dbraw/zinc/28/55/40/188285540.db2.gz MWCXRHVSQRARCU-SWLSCSKDSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156879829 188285541 /nfs/dbraw/zinc/28/55/41/188285541.db2.gz MWCXRHVSQRARCU-SWLSCSKDSA-N 1 1 294.351 1.609 20 5 CDBDMO C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000157756906 188336274 /nfs/dbraw/zinc/33/62/74/188336274.db2.gz KRQMSDKMDOTBTG-UHFFFAOYSA-N 1 1 276.239 1.620 20 5 CDBDMO C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000157756906 188336275 /nfs/dbraw/zinc/33/62/75/188336275.db2.gz KRQMSDKMDOTBTG-UHFFFAOYSA-N 1 1 276.239 1.620 20 5 CDBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286406424 356292112 /nfs/dbraw/zinc/29/21/12/356292112.db2.gz PYTORMJZGHIABJ-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000186750394 357684336 /nfs/dbraw/zinc/68/43/36/357684336.db2.gz ITYFZROEGWXQHQ-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000408073556 357811867 /nfs/dbraw/zinc/81/18/67/357811867.db2.gz UKCXNKOFOKBAQL-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000408073556 357811871 /nfs/dbraw/zinc/81/18/71/357811871.db2.gz UKCXNKOFOKBAQL-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000264668575 357926800 /nfs/dbraw/zinc/92/68/00/357926800.db2.gz ZZBNXWBDAWTYHV-SNVBAGLBSA-N 1 1 266.301 1.122 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000192478931 358207183 /nfs/dbraw/zinc/20/71/83/358207183.db2.gz XKZDHZJMUXSMED-JTQLQIEISA-N 1 1 298.368 1.210 20 5 CDBDMO C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033316474 358224997 /nfs/dbraw/zinc/22/49/97/358224997.db2.gz CTYNEKWYUBCOJB-SREVYHEPSA-N 1 1 275.308 1.382 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361480636 358230379 /nfs/dbraw/zinc/23/03/79/358230379.db2.gz DHCYIZKKRLYRQW-CYBMUJFWSA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000193587008 358306455 /nfs/dbraw/zinc/30/64/55/358306455.db2.gz DFKGTMABCGSTCK-QPUJVOFHSA-N 1 1 297.742 1.862 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290871250 358691522 /nfs/dbraw/zinc/69/15/22/358691522.db2.gz ZSJBOULGATTXCJ-LBPRGKRZSA-N 1 1 296.323 1.437 20 5 CDBDMO C[C@@H]1c2cccn2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176197629 358736930 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O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1F ZINC000367305597 361286510 /nfs/dbraw/zinc/28/65/10/361286510.db2.gz PCVZCQQXYUAYTH-NSHDSACASA-N 1 1 291.286 1.772 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1F ZINC000367305597 361286512 /nfs/dbraw/zinc/28/65/12/361286512.db2.gz PCVZCQQXYUAYTH-NSHDSACASA-N 1 1 291.286 1.772 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545483777 364257539 /nfs/dbraw/zinc/25/75/39/364257539.db2.gz PAOZFFJLMGWVOQ-UHFFFAOYSA-N 1 1 279.344 1.695 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178025 364393353 /nfs/dbraw/zinc/39/33/53/364393353.db2.gz SAYZXCVHJIPVTD-BXKDBHETSA-N 1 1 262.313 1.884 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459697205 366932056 /nfs/dbraw/zinc/93/20/56/366932056.db2.gz YIYHTFIFBJFKGK-COPLHBTASA-N 1 1 280.324 1.249 20 5 CDBDMO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270819974 366936309 /nfs/dbraw/zinc/93/63/09/366936309.db2.gz YIEWQWMBCXLAHZ-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270819974 366936317 /nfs/dbraw/zinc/93/63/17/366936317.db2.gz YIEWQWMBCXLAHZ-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414496339 241231907 /nfs/dbraw/zinc/23/19/07/241231907.db2.gz YPGCNCQWNMGHQT-HHAVJRIZSA-N 1 1 292.335 1.690 20 5 CDBDMO C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089936199 366969147 /nfs/dbraw/zinc/96/91/47/366969147.db2.gz PADMGNJVCPYSAI-GFCCVEGCSA-N 1 1 295.364 1.971 20 5 CDBDMO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000089936199 366969152 /nfs/dbraw/zinc/96/91/52/366969152.db2.gz PADMGNJVCPYSAI-GFCCVEGCSA-N 1 1 295.364 1.971 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000348376252 367232478 /nfs/dbraw/zinc/23/24/78/367232478.db2.gz QNTNXOCBWMFZAH-UHFFFAOYSA-N 1 1 266.345 1.864 20 5 CDBDMO 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/nfs/dbraw/zinc/40/57/75/371405775.db2.gz IGSOZOVUNFOASV-UHFFFAOYSA-N 1 1 281.312 1.882 20 5 CDBDMO COc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272855746 371454287 /nfs/dbraw/zinc/45/42/87/371454287.db2.gz RDSBPPGHBCGHSK-UHFFFAOYSA-N 1 1 294.311 1.383 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177984014 372937529 /nfs/dbraw/zinc/93/75/29/372937529.db2.gz SPUCGEGOAUHUHC-CQSZACIVSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177984014 372937538 /nfs/dbraw/zinc/93/75/38/372937538.db2.gz SPUCGEGOAUHUHC-CQSZACIVSA-N 1 1 293.323 1.298 20 5 CDBDMO O=C1CCN(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000273097499 373699962 /nfs/dbraw/zinc/69/99/62/373699962.db2.gz PCOGXVDECIXXAI-UHFFFAOYSA-N 1 1 263.297 1.307 20 5 CDBDMO CC[C@@H](C)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534676 373959670 /nfs/dbraw/zinc/95/96/70/373959670.db2.gz NRYAYJNGYCDQOD-ZYHUDNBSSA-N 1 1 270.333 1.130 20 5 CDBDMO Cc1nc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000161535455 374179836 /nfs/dbraw/zinc/17/98/36/374179836.db2.gz IGXFYKRKRLHPGB-UHFFFAOYSA-N 1 1 250.302 1.804 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934096 374234962 /nfs/dbraw/zinc/23/49/62/374234962.db2.gz MXCLTTMCVJPHPG-RNCFNFMXSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934096 374234969 /nfs/dbraw/zinc/23/49/69/374234969.db2.gz MXCLTTMCVJPHPG-RNCFNFMXSA-N 1 1 298.314 1.945 20 5 CDBDMO CC[C@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420953756 374307668 /nfs/dbraw/zinc/30/76/68/374307668.db2.gz JKJMAZXJPOERLW-STQMWFEESA-N 1 1 282.344 1.681 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000368578862 374317372 /nfs/dbraw/zinc/31/73/72/374317372.db2.gz QSYMMHAGFFPEPC-VIFPVBQESA-N 1 1 297.742 1.946 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974809 374340346 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C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393076 374786577 /nfs/dbraw/zinc/78/65/77/374786577.db2.gz GLTPHEREIXOSBO-LBPRGKRZSA-N 1 1 294.355 1.903 20 5 CDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330582629 374867967 /nfs/dbraw/zinc/86/79/67/374867967.db2.gz KAZKGVDRCMWGIR-OLZOCXBDSA-N 1 1 293.367 1.998 20 5 CDBDMO Cc1c(C[N@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000332441292 375032399 /nfs/dbraw/zinc/03/23/99/375032399.db2.gz JYRZZRMAMCNZHO-UHFFFAOYSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977803 375146404 /nfs/dbraw/zinc/14/64/04/375146404.db2.gz FFENUJDIARGOHP-SECBINFHSA-N 1 1 283.353 1.728 20 5 CDBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000227549859 375557589 /nfs/dbraw/zinc/55/75/89/375557589.db2.gz VDZVNLYSOWCNFB-UHFFFAOYSA-N 1 1 253.306 1.225 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353367553 375600690 /nfs/dbraw/zinc/60/06/90/375600690.db2.gz ZYOLDIUVQKVHCS-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000058927057 375841262 /nfs/dbraw/zinc/84/12/62/375841262.db2.gz UCDRTJMBBBOVFD-SECBINFHSA-N 1 1 267.285 1.259 20 5 CDBDMO CC(C)C[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000134305892 375951976 /nfs/dbraw/zinc/95/19/76/375951976.db2.gz WEDPFXGBTIYTQV-UHFFFAOYSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@]1(F)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383175 376062570 /nfs/dbraw/zinc/06/25/70/376062570.db2.gz OFKAHZDIHSHNLG-TZMCWYRMSA-N 1 1 298.314 1.768 20 5 CDBDMO C[C@]1(F)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383174 376063119 /nfs/dbraw/zinc/06/31/19/376063119.db2.gz OFKAHZDIHSHNLG-OCCSQVGLSA-N 1 1 298.314 1.768 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173449372 378414595 /nfs/dbraw/zinc/41/45/95/378414595.db2.gz SVRKNOCGZUQJKQ-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000278619585 194071732 /nfs/dbraw/zinc/07/17/32/194071732.db2.gz FQUZRRNGJNIDQL-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000278619585 194071733 /nfs/dbraw/zinc/07/17/33/194071733.db2.gz FQUZRRNGJNIDQL-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NC ZINC000449778645 251016031 /nfs/dbraw/zinc/01/60/31/251016031.db2.gz RZOSFOTZHVPHFJ-LLVKDONJSA-N 1 1 269.276 1.348 20 5 CDBDMO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)NC ZINC000449779633 251017161 /nfs/dbraw/zinc/01/71/61/251017161.db2.gz UMTJJSQDYQIJSK-QMMMGPOBSA-N 1 1 257.315 1.271 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450592900 251355592 /nfs/dbraw/zinc/35/55/92/251355592.db2.gz HXLWTJVSZXKPEZ-NSHDSACASA-N 1 1 280.328 1.249 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000288681147 197144379 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C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000263705879 131312819 /nfs/dbraw/zinc/31/28/19/131312819.db2.gz MKGLLDUBXXGJAT-LLVKDONJSA-N 1 1 289.335 1.826 20 5 CDBDMO CCOC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000459696477 392499107 /nfs/dbraw/zinc/49/91/07/392499107.db2.gz BFKFVAZWTCOWPJ-LBPRGKRZSA-N 1 1 282.344 1.682 20 5 CDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577027 131753548 /nfs/dbraw/zinc/75/35/48/131753548.db2.gz UMDFOFSKKNWJET-GHMZBOCLSA-N 1 1 292.339 1.622 20 5 CDBDMO CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421011992 392926329 /nfs/dbraw/zinc/92/63/29/392926329.db2.gz SRZKENGTAPLHLX-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268520111 132021385 /nfs/dbraw/zinc/02/13/85/132021385.db2.gz UVFILGNFKFEIRJ-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@](CN)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430559934 393100582 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CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352223629 155036500 /nfs/dbraw/zinc/03/65/00/155036500.db2.gz XGSDGCASRSZZRG-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360918068 158671370 /nfs/dbraw/zinc/67/13/70/158671370.db2.gz FLGSRQAKBQZSJI-GFCCVEGCSA-N 1 1 295.387 1.898 20 5 CDBDMO Cn1cc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000371825473 160054501 /nfs/dbraw/zinc/05/45/01/160054501.db2.gz VBSKLZVTJUYVEB-SNVBAGLBSA-N 1 1 290.327 1.051 20 5 CDBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000371825473 160054502 /nfs/dbraw/zinc/05/45/02/160054502.db2.gz VBSKLZVTJUYVEB-SNVBAGLBSA-N 1 1 290.327 1.051 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000372349151 160109118 /nfs/dbraw/zinc/10/91/18/160109118.db2.gz INWPMGVOHLVUPM-CYBMUJFWSA-N 1 1 277.324 1.631 20 5 CDBDMO CC(C)NC(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035136017 172003090 /nfs/dbraw/zinc/00/30/90/172003090.db2.gz GSYXYCUOFVNJCE-UHFFFAOYSA-N 1 1 251.286 1.209 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285159040 196209949 /nfs/dbraw/zinc/20/99/49/196209949.db2.gz YEXPLAVJQNWRDL-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000285370185 196264157 /nfs/dbraw/zinc/26/41/57/196264157.db2.gz CAGIGXAEWUIZMG-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(CO)CC1 ZINC000285370185 196264159 /nfs/dbraw/zinc/26/41/59/196264159.db2.gz CAGIGXAEWUIZMG-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704348 196372892 /nfs/dbraw/zinc/37/28/92/196372892.db2.gz ONGLHRQNXURQHK-MFKMUULPSA-N 1 1 268.313 1.595 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000037403632 173180269 /nfs/dbraw/zinc/18/02/69/173180269.db2.gz IFUGXMNXMFRRDL-UHFFFAOYSA-N 1 1 297.742 1.946 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000413249354 275041361 /nfs/dbraw/zinc/04/13/61/275041361.db2.gz LPMWYVHVQXQNAY-MRVPVSSYSA-N 1 1 277.259 1.752 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192384 277161169 /nfs/dbraw/zinc/16/11/69/277161169.db2.gz GENSOUIFJJTGEH-CYBMUJFWSA-N 1 1 262.313 1.522 20 5 CDBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355348527 279079071 /nfs/dbraw/zinc/07/90/71/279079071.db2.gz ZSGXSWDADIQDHN-VHSXEESVSA-N 1 1 252.318 1.949 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474449 281141945 /nfs/dbraw/zinc/14/19/45/281141945.db2.gz VTHDEPWRDRSPNV-MRVPVSSYSA-N 1 1 267.260 1.624 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554129201 290145748 /nfs/dbraw/zinc/14/57/48/290145748.db2.gz BFIRCDVEQMQZRD-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104050 324104058 /nfs/dbraw/zinc/10/40/58/324104058.db2.gz JMJVQQOUEYYVNN-LLVKDONJSA-N 1 1 279.340 1.766 20 5 CDBDMO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030336 1161998417 /nfs/dbraw/zinc/99/84/17/1161998417.db2.gz YWXRIJXKUVCSCI-JSGCOSHPSA-N 1 1 295.383 1.519 20 5 CDBDMO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030336 1161998419 /nfs/dbraw/zinc/99/84/19/1161998419.db2.gz YWXRIJXKUVCSCI-JSGCOSHPSA-N 1 1 295.383 1.519 20 5 CDBDMO COc1cc(C[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000184270256 522359487 /nfs/dbraw/zinc/35/94/87/522359487.db2.gz HQBYCAYPTQKYPK-MRVPVSSYSA-N 1 1 272.276 1.555 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000184270256 522359495 /nfs/dbraw/zinc/35/94/95/522359495.db2.gz HQBYCAYPTQKYPK-MRVPVSSYSA-N 1 1 272.276 1.555 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049070000 523850379 /nfs/dbraw/zinc/85/03/79/523850379.db2.gz DQTBAZKSXBFXSK-LBPRGKRZSA-N 1 1 278.312 1.811 20 5 CDBDMO CN1CCN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020128510 523900368 /nfs/dbraw/zinc/90/03/68/523900368.db2.gz GPQTXJPQGYCSME-UHFFFAOYSA-N 1 1 292.383 1.322 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000183311971 525562630 /nfs/dbraw/zinc/56/26/30/525562630.db2.gz HFNVDTZHOKGFAZ-LLVKDONJSA-N 1 1 250.298 1.717 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1CO ZINC000052617024 527403914 /nfs/dbraw/zinc/40/39/14/527403914.db2.gz GWUQVHDWMQKDCY-GFCCVEGCSA-N 1 1 280.324 1.820 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000336933306 527412850 /nfs/dbraw/zinc/41/28/50/527412850.db2.gz RHLQZUJGQBECIJ-ZETCQYMHSA-N 1 1 265.298 1.675 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949776 528547098 /nfs/dbraw/zinc/54/70/98/528547098.db2.gz AHZPLRZQHWECIH-DTORHVGOSA-N 1 1 295.343 1.093 20 5 CDBDMO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734838016 575390697 /nfs/dbraw/zinc/39/06/97/575390697.db2.gz LHAZTRKJZGZWRW-SECBINFHSA-N 1 1 283.715 1.555 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734838016 575390698 /nfs/dbraw/zinc/39/06/98/575390698.db2.gz LHAZTRKJZGZWRW-SECBINFHSA-N 1 1 283.715 1.555 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000768774543 576307459 /nfs/dbraw/zinc/30/74/59/576307459.db2.gz VESSYSFSXLBABD-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000768841286 576312538 /nfs/dbraw/zinc/31/25/38/576312538.db2.gz JUSASUAOVAAFJX-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000768841286 576312540 /nfs/dbraw/zinc/31/25/40/576312540.db2.gz JUSASUAOVAAFJX-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900335 576441950 /nfs/dbraw/zinc/44/19/50/576441950.db2.gz GCLDIHJQXOMYBM-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559328 619379134 /nfs/dbraw/zinc/37/91/34/619379134.db2.gz XSNVNULUIMZKIU-QMMMGPOBSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000928559328 619379135 /nfs/dbraw/zinc/37/91/35/619379135.db2.gz XSNVNULUIMZKIU-QMMMGPOBSA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560833 619383268 /nfs/dbraw/zinc/38/32/68/619383268.db2.gz WLDYXRFAXRZTAA-KOLCDFICSA-N 1 1 295.314 1.658 20 5 CDBDMO COC(=O)Cc1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895769968 619836404 /nfs/dbraw/zinc/83/64/04/619836404.db2.gz XDNJFHAFUJFTMK-NSHDSACASA-N 1 1 293.323 1.426 20 5 CDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000905213545 626694626 /nfs/dbraw/zinc/69/46/26/626694626.db2.gz CHKGIGHKRDEPIW-DGCLKSJQSA-N 1 1 251.330 1.544 20 5 CDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000905280219 626734262 /nfs/dbraw/zinc/73/42/62/626734262.db2.gz MRACFAVJPLLKIN-GHMZBOCLSA-N 1 1 277.324 1.219 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@@H]1CCCC[N@@H+]1C ZINC000906504346 627308720 /nfs/dbraw/zinc/30/87/20/627308720.db2.gz XOODINPTDVJLIU-LBPRGKRZSA-N 1 1 279.340 1.939 20 5 CDBDMO COc1ccc(C[C@H](C)[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329523 1162338357 /nfs/dbraw/zinc/33/83/57/1162338357.db2.gz QJZDAFPKUFNMCF-NSHDSACASA-N 1 1 294.351 1.849 20 5 CDBDMO O=C(NCCC[NH2+]CCC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767827 1162406386 /nfs/dbraw/zinc/40/63/86/1162406386.db2.gz WGCSOGPLBXSYSY-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO [NH3+]Cc1ncn(-c2nc3ccccc3cc2[N+](=O)[O-])n1 ZINC001157928050 1162561663 /nfs/dbraw/zinc/56/16/63/1162561663.db2.gz KLGDSOCXIFJWMF-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO COc1cc(C)nc(N2CC[N@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158422447 1162969389 /nfs/dbraw/zinc/96/93/89/1162969389.db2.gz AGSPYVCDCHTLEC-JTQLQIEISA-N 1 1 278.312 1.201 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001580875272 1172558771 /nfs/dbraw/zinc/55/87/71/1172558771.db2.gz HACHDWUSLNKQIA-UHFFFAOYSA-N 1 1 263.297 1.237 20 5 CDBDMO CC(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001755529172 1185981223 /nfs/dbraw/zinc/98/12/23/1185981223.db2.gz LKGYXSMSPLVEHS-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001755529172 1185981227 /nfs/dbraw/zinc/98/12/27/1185981227.db2.gz LKGYXSMSPLVEHS-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CC(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001755529172 1185981231 /nfs/dbraw/zinc/98/12/31/1185981231.db2.gz LKGYXSMSPLVEHS-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408067973 719154189 /nfs/dbraw/zinc/15/41/89/719154189.db2.gz QDQDSWQBPFTNNH-ZJUUUORDSA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817976610 782351655 /nfs/dbraw/zinc/35/16/55/782351655.db2.gz PCHXQFARKKKXBW-MIMYLULJSA-N 1 1 282.319 1.528 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000930128027 782382060 /nfs/dbraw/zinc/38/20/60/782382060.db2.gz BZECKMIWUCANSA-UHFFFAOYSA-N 1 1 250.302 1.235 20 5 CDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082911 782644949 /nfs/dbraw/zinc/64/49/49/782644949.db2.gz CCCNVVCIKUECTD-ZYHUDNBSSA-N 1 1 265.313 1.725 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000928573237 782720277 /nfs/dbraw/zinc/72/02/77/782720277.db2.gz NTKKZTGYFPLFHI-NSHDSACASA-N 1 1 295.364 1.507 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000928573237 782720284 /nfs/dbraw/zinc/72/02/84/782720284.db2.gz NTKKZTGYFPLFHI-NSHDSACASA-N 1 1 295.364 1.507 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293976532 782762390 /nfs/dbraw/zinc/76/23/90/782762390.db2.gz VEXGOVCQXRSOOQ-LLVKDONJSA-N 1 1 256.277 1.937 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000837189050 783003527 /nfs/dbraw/zinc/00/35/27/783003527.db2.gz HFBZQRBQSVLFGH-LBPRGKRZSA-N 1 1 285.388 1.763 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000929749982 783056683 /nfs/dbraw/zinc/05/66/83/783056683.db2.gz IARITHPFGPJNFR-NSHDSACASA-N 1 1 287.360 1.594 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000929749982 783056689 /nfs/dbraw/zinc/05/66/89/783056689.db2.gz IARITHPFGPJNFR-NSHDSACASA-N 1 1 287.360 1.594 20 5 CDBDMO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839771996 783057618 /nfs/dbraw/zinc/05/76/18/783057618.db2.gz YASXUJVSJMCHKD-JHJVBQTASA-N 1 1 295.314 1.210 20 5 CDBDMO COCCOCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791587 780848281 /nfs/dbraw/zinc/84/82/81/780848281.db2.gz FBTVLMJFRVKZJU-CQSZACIVSA-N 1 1 298.339 1.223 20 5 CDBDMO CN(C(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000930304548 780970638 /nfs/dbraw/zinc/97/06/38/780970638.db2.gz KABVRTBYSZLZHS-GFCCVEGCSA-N 1 1 277.324 1.248 20 5 CDBDMO Cc1cccc(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000884825344 781105824 /nfs/dbraw/zinc/10/58/24/781105824.db2.gz QZDLFSDBCWYQQF-UHFFFAOYSA-N 1 1 253.302 1.239 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000882959401 781288066 /nfs/dbraw/zinc/28/80/66/781288066.db2.gz FERVLTJZUHJNTE-JTQLQIEISA-N 1 1 294.311 1.283 20 5 CDBDMO COCC1([N@H+](C)Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000886315425 781827716 /nfs/dbraw/zinc/82/77/16/781827716.db2.gz LXPOTISQMMAMKB-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO COCC1([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000886315425 781827721 /nfs/dbraw/zinc/82/77/21/781827721.db2.gz LXPOTISQMMAMKB-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000886043680 781851405 /nfs/dbraw/zinc/85/14/05/781851405.db2.gz HVICBGOGRZHMJY-NWDGAFQWSA-N 1 1 295.364 1.696 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000886043680 781851409 /nfs/dbraw/zinc/85/14/09/781851409.db2.gz HVICBGOGRZHMJY-NWDGAFQWSA-N 1 1 295.364 1.696 20 5 CDBDMO C[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886186191 783341852 /nfs/dbraw/zinc/34/18/52/783341852.db2.gz RJHYRSQPXXVUOQ-UHFFFAOYSA-N 1 1 264.329 1.516 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1F ZINC000801547313 783533216 /nfs/dbraw/zinc/53/32/16/783533216.db2.gz NIEICEPVALCSHP-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1F ZINC000801547313 783533222 /nfs/dbraw/zinc/53/32/22/783533222.db2.gz NIEICEPVALCSHP-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO CC[N@@H+](CCC(N)=O)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226338 912320140 /nfs/dbraw/zinc/32/01/40/912320140.db2.gz INFRJZPYXRESAO-LLVKDONJSA-N 1 1 279.340 1.723 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC(=O)N(C)C ZINC001173234031 912325414 /nfs/dbraw/zinc/32/54/14/912325414.db2.gz OSGBOBIQHCSVRE-GFCCVEGCSA-N 1 1 293.367 1.936 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001167278195 895022966 /nfs/dbraw/zinc/02/29/66/895022966.db2.gz BDUCFTYXZQPBCP-JTQLQIEISA-N 1 1 261.285 1.359 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907748 912036496 /nfs/dbraw/zinc/03/64/96/912036496.db2.gz HWPRWJQHWQNNSZ-ZDUSSCGKSA-N 1 1 291.351 1.520 20 5 CDBDMO C[S@@](=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000828081429 936362280 /nfs/dbraw/zinc/36/22/80/936362280.db2.gz XZKUAKJWWNCHAM-LJQANCHMSA-N 1 1 282.365 1.938 20 5 CDBDMO C[S@@](=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000828081429 936362285 /nfs/dbraw/zinc/36/22/85/936362285.db2.gz XZKUAKJWWNCHAM-LJQANCHMSA-N 1 1 282.365 1.938 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000828988004 936398852 /nfs/dbraw/zinc/39/88/52/936398852.db2.gz PMTIUFXNACTBKC-RNCFNFMXSA-N 1 1 262.313 1.317 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000829592511 936423935 /nfs/dbraw/zinc/42/39/35/936423935.db2.gz CXFIRUNMNNTASN-SNPRPXQTSA-N 1 1 292.335 1.739 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535743 936516081 /nfs/dbraw/zinc/51/60/81/936516081.db2.gz ZJECXRDCRVGVDN-TUKIKUTGSA-N 1 1 294.351 1.985 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)s1 ZINC000226769602 936680175 /nfs/dbraw/zinc/68/01/75/936680175.db2.gz YXNGIQJCONYFRO-QMMMGPOBSA-N 1 1 254.315 1.557 20 5 CDBDMO [NH3+]Cc1nc(=O)[nH]n1-c1cc2cccnc2c2ncccc12 ZINC001168760709 923167420 /nfs/dbraw/zinc/16/74/20/923167420.db2.gz DQZNOARZSBTXEK-UHFFFAOYSA-N 1 1 292.302 1.528 20 5 CDBDMO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963979 927587295 /nfs/dbraw/zinc/58/72/95/927587295.db2.gz RBPOMRRUNXDEIP-HBNTYKKESA-N 1 1 258.318 1.362 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168970725 927593886 /nfs/dbraw/zinc/59/38/86/927593886.db2.gz ISGPTWFAOXDUCN-GHMZBOCLSA-N 1 1 270.329 1.507 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001169006398 927611731 /nfs/dbraw/zinc/61/17/31/927611731.db2.gz HRRNIRPOIGNADV-UKRRQHHQSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CCCO3)C2)C1 ZINC001169012177 927617383 /nfs/dbraw/zinc/61/73/83/927617383.db2.gz OOFBYPMFXPTOOU-AGIUHOORSA-N 1 1 254.330 1.687 20 5 CDBDMO CCN1CCC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034525 927640257 /nfs/dbraw/zinc/64/02/57/927640257.db2.gz HILGDYDOGMJRQV-GXTWGEPZSA-N 1 1 269.389 1.848 20 5 CDBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033672 927641887 /nfs/dbraw/zinc/64/18/87/927641887.db2.gz DHZPEUIQASJJRO-GRYCIOLGSA-N 1 1 270.329 1.317 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(N3CCCC3)C2)C1 ZINC001169037097 927646683 /nfs/dbraw/zinc/64/66/83/927646683.db2.gz QVHVEKUUDCYNII-NWDGAFQWSA-N 1 1 253.346 1.212 20 5 CDBDMO CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039102 927649740 /nfs/dbraw/zinc/64/97/40/927649740.db2.gz NBNCSICQZRUVLF-AGIUHOORSA-N 1 1 254.330 1.875 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038921 927650777 /nfs/dbraw/zinc/65/07/77/927650777.db2.gz LJTQYMRQHAWDJZ-VXGBXAGGSA-N 1 1 270.329 1.271 20 5 CDBDMO CCOC(=O)C[N@@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041030 927653305 /nfs/dbraw/zinc/65/33/05/927653305.db2.gz AOCWTCMIXCIBMQ-GHMZBOCLSA-N 1 1 258.318 1.317 20 5 CDBDMO CNCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169043428 927656571 /nfs/dbraw/zinc/65/65/71/927656571.db2.gz GOZVYYCVZHRIHM-VXGBXAGGSA-N 1 1 257.378 1.752 20 5 CDBDMO C[NH2+]CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169043428 927656577 /nfs/dbraw/zinc/65/65/77/927656577.db2.gz GOZVYYCVZHRIHM-VXGBXAGGSA-N 1 1 257.378 1.752 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C3CCOCC3)CC2)C1 ZINC001169024379 927662936 /nfs/dbraw/zinc/66/29/36/927662936.db2.gz GWBDQDQZCIMOMZ-HIFRSBDPSA-N 1 1 297.399 1.228 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001169026556 927665629 /nfs/dbraw/zinc/66/56/29/927665629.db2.gz MKKTZAVJVAWZNK-FRRDWIJNSA-N 1 1 253.346 1.212 20 5 CDBDMO COc1cc2c(cn1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169057732 927675324 /nfs/dbraw/zinc/67/53/24/927675324.db2.gz XMXLFZHSQOATLA-RISCZKNCSA-N 1 1 291.351 1.894 20 5 CDBDMO C[N@@H+](CCOCC1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592981 927786282 /nfs/dbraw/zinc/78/62/82/927786282.db2.gz SHPJBWICXYSLTA-OAHLLOKOSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597415 927793621 /nfs/dbraw/zinc/79/36/21/927793621.db2.gz LFYKCLCWSOSTQL-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156645799 928871137 /nfs/dbraw/zinc/87/11/37/928871137.db2.gz BZXLOVSNCXKMIC-LBPRGKRZSA-N 1 1 258.281 1.899 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@H]2C1 ZINC000784631227 937306142 /nfs/dbraw/zinc/30/61/42/937306142.db2.gz VKKKDBBIGGTIKA-PHIMTYICSA-N 1 1 287.323 1.240 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000861388784 929288535 /nfs/dbraw/zinc/28/85/35/929288535.db2.gz ZUWWSMFDBKDGFN-UHFFFAOYSA-N 1 1 268.244 1.596 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815272748 929972047 /nfs/dbraw/zinc/97/20/47/929972047.db2.gz VWKZREXMNVFYDU-WFASDCNBSA-N 1 1 294.351 1.723 20 5 CDBDMO CCCC[N@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055954 930752246 /nfs/dbraw/zinc/75/22/46/930752246.db2.gz ILQNQSYVZYTJQP-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCC[N@@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055954 930752252 /nfs/dbraw/zinc/75/22/52/930752252.db2.gz ILQNQSYVZYTJQP-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886280813 930848946 /nfs/dbraw/zinc/84/89/46/930848946.db2.gz LSHXKCHAOFUGGY-MWLCHTKSSA-N 1 1 251.286 1.335 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815263 930965348 /nfs/dbraw/zinc/96/53/48/930965348.db2.gz AMRNDKZGWXKQLD-MNOVXSKESA-N 1 1 281.312 1.892 20 5 CDBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000886846549 930973690 /nfs/dbraw/zinc/97/36/90/930973690.db2.gz DKDBVBRVESUJPK-NSHDSACASA-N 1 1 265.313 1.484 20 5 CDBDMO Cn1c(C(=O)NCC[N@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000890079655 931405801 /nfs/dbraw/zinc/40/58/01/931405801.db2.gz HVCRJTLACYIIHM-UHFFFAOYSA-N 1 1 294.355 1.395 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852138 933281130 /nfs/dbraw/zinc/28/11/30/933281130.db2.gz FWJQEJHRDDGUCQ-IINYFYTJSA-N 1 1 280.324 1.301 20 5 CDBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930176250 933329431 /nfs/dbraw/zinc/32/94/31/933329431.db2.gz XIHRMGBBRNFPCH-JTQLQIEISA-N 1 1 258.318 1.174 20 5 CDBDMO C[C@H]1CN(CC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000930646084 933421493 /nfs/dbraw/zinc/42/14/93/933421493.db2.gz APKNOBKEPDGKDJ-AWEZNQCLSA-N 1 1 277.368 1.717 20 5 CDBDMO Cc1nn(CN2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000779858800 934754672 /nfs/dbraw/zinc/75/46/72/934754672.db2.gz FWWBIFATJRMROF-UHFFFAOYSA-N 1 1 281.360 1.473 20 5 CDBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488456 937802907 /nfs/dbraw/zinc/80/29/07/937802907.db2.gz BLHNWOZNLFEMOY-RISCZKNCSA-N 1 1 281.356 1.416 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001120931660 937848067 /nfs/dbraw/zinc/84/80/67/937848067.db2.gz JPURQRUYJFFOSR-VIFPVBQESA-N 1 1 265.317 1.102 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156660893 938402585 /nfs/dbraw/zinc/40/25/85/938402585.db2.gz SEHPIUOSMHDQPY-SNVBAGLBSA-N 1 1 259.269 1.294 20 5 CDBDMO Cc1nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157260009 938470299 /nfs/dbraw/zinc/47/02/99/938470299.db2.gz GVWHTVALOWNLJO-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001157271579 938473764 /nfs/dbraw/zinc/47/37/64/938473764.db2.gz ISZPRACTMZXEQQ-MWLCHTKSSA-N 1 1 277.328 1.102 20 5 CDBDMO Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157760292 938541596 /nfs/dbraw/zinc/54/15/96/938541596.db2.gz ATRHAOYTDLHOHH-ZIAGYGMSSA-N 1 1 291.351 1.256 20 5 CDBDMO CC(C)Oc1nc(N2CC[N@H+]3CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001158430663 938623942 /nfs/dbraw/zinc/62/39/42/938623942.db2.gz ICGGISIPIKJYHQ-NSHDSACASA-N 1 1 292.339 1.671 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001159743363 938748757 /nfs/dbraw/zinc/74/87/57/938748757.db2.gz DJKIATWOWKJHMM-SNVBAGLBSA-N 1 1 274.708 1.421 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001159785611 938752436 /nfs/dbraw/zinc/75/24/36/938752436.db2.gz QWDAFWWSBGCCTE-LLVKDONJSA-N 1 1 275.312 1.579 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N2C[C@@H](O)[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001164105730 939411217 /nfs/dbraw/zinc/41/12/17/939411217.db2.gz PLPRWGNLUBDNHF-KJDJKKKBSA-N 1 1 296.302 1.041 20 5 CDBDMO O=c1[nH]c(C2CC2)nc(O[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218284399 941051803 /nfs/dbraw/zinc/05/18/03/941051803.db2.gz RBBGDTYCFLDNHC-MRVPVSSYSA-N 1 1 280.284 1.099 20 5 CDBDMO Cc1cc2[nH]c(O[C@H]3CC[N@H+](C)C3)nc2cc1[N+](=O)[O-] ZINC001228672484 942353702 /nfs/dbraw/zinc/35/37/02/942353702.db2.gz VXCLEJYJYNAMSW-VIFPVBQESA-N 1 1 276.296 1.862 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229397502 942464741 /nfs/dbraw/zinc/46/47/41/942464741.db2.gz JHVMCTGCYYTUFL-SNVBAGLBSA-N 1 1 252.270 1.773 20 5 CDBDMO C[C@@H](C[N+](=O)[O-])OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001525397701 970954852 /nfs/dbraw/zinc/95/48/52/970954852.db2.gz SUZJYJVTMVBMGO-VIFPVBQESA-N 1 1 276.252 1.089 20 5 CDBDMO CN1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254597993 947545358 /nfs/dbraw/zinc/54/53/58/947545358.db2.gz FXYHDVLDKYIHOQ-CQSZACIVSA-N 1 1 289.335 1.226 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](CO)C1)C2 ZINC001254597883 947547558 /nfs/dbraw/zinc/54/75/58/947547558.db2.gz IRNCDBHGFAWPHX-ABAIWWIYSA-N 1 1 276.336 1.766 20 5 CDBDMO Cn1cc[nH+]c1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC001307340869 956393482 /nfs/dbraw/zinc/39/34/82/956393482.db2.gz IQFVJNWQFGMNAR-UHFFFAOYSA-N 1 1 291.292 1.148 20 5 CDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC001340732917 963095199 /nfs/dbraw/zinc/09/51/99/963095199.db2.gz SVVTZRYPMDEMPV-LLVKDONJSA-N 1 1 277.324 1.741 20 5 CDBDMO COc1cc(CNCC[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC001346192239 964977495 /nfs/dbraw/zinc/97/74/95/964977495.db2.gz TZRPRYODYUBZKR-UHFFFAOYSA-N 1 1 297.355 1.002 20 5 CDBDMO C[C@@]([NH3+])(C(=O)Nc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC001576086711 1171329776 /nfs/dbraw/zinc/32/97/76/1171329776.db2.gz YWGULLLDIKQWRN-LBPRGKRZSA-N 1 1 276.252 1.395 20 5 CDBDMO CN1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601121903 342471367 /nfs/dbraw/zinc/47/13/67/342471367.db2.gz RBKJZDOIEKSMSC-VIFPVBQESA-N 1 1 286.291 1.208 20 5 CDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000601136438 342476563 /nfs/dbraw/zinc/47/65/63/342476563.db2.gz DHTSRNJKZVYFBL-LKFCYVNXSA-N 1 1 273.292 1.960 20 5 CDBDMO C[C@H]1[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@H+]1C ZINC000342834858 361750945 /nfs/dbraw/zinc/75/09/45/361750945.db2.gz LARPUCXNTJGFJV-GXSJLCMTSA-N 1 1 292.339 1.588 20 5 CDBDMO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000590707666 342585065 /nfs/dbraw/zinc/58/50/65/342585065.db2.gz RMGOWIMPYUIBFE-SNVBAGLBSA-N 1 1 285.369 1.915 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000609287804 342100407 /nfs/dbraw/zinc/10/04/07/342100407.db2.gz URNYDRMYERNFDY-JTQLQIEISA-N 1 1 279.344 1.757 20 5 CDBDMO C[C@@H]1[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000592755377 342729316 /nfs/dbraw/zinc/72/93/16/342729316.db2.gz UOSRMRKNIPNXJG-ZWNOBZJWSA-N 1 1 277.324 1.551 20 5 CDBDMO CC[C@H]1COC(C)(C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593058015 342760343 /nfs/dbraw/zinc/76/03/43/342760343.db2.gz ZVWLVLIEBWODOI-NSHDSACASA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1COC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000593058015 342760346 /nfs/dbraw/zinc/76/03/46/342760346.db2.gz ZVWLVLIEBWODOI-NSHDSACASA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109994 342769574 /nfs/dbraw/zinc/76/95/74/342769574.db2.gz PTVZEGQQYOQZIK-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417708 342902932 /nfs/dbraw/zinc/90/29/32/342902932.db2.gz FENLUEFNKXDNAH-MWLCHTKSSA-N 1 1 293.327 1.065 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384253 342267920 /nfs/dbraw/zinc/26/79/20/342267920.db2.gz AUGPKYGADVZGFR-SNVBAGLBSA-N 1 1 265.317 1.225 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000595293310 343025348 /nfs/dbraw/zinc/02/53/48/343025348.db2.gz JULMOCGUAQWJCG-JTQLQIEISA-N 1 1 291.311 1.994 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000595293310 343025349 /nfs/dbraw/zinc/02/53/49/343025349.db2.gz JULMOCGUAQWJCG-JTQLQIEISA-N 1 1 291.311 1.994 20 5 CDBDMO COC(=O)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595317128 343033808 /nfs/dbraw/zinc/03/38/08/343033808.db2.gz DGZKNVFGAZXXDZ-UHFFFAOYSA-N 1 1 285.300 1.665 20 5 CDBDMO COC(=O)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595317128 343033809 /nfs/dbraw/zinc/03/38/09/343033809.db2.gz DGZKNVFGAZXXDZ-UHFFFAOYSA-N 1 1 285.300 1.665 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000595318319 343034427 /nfs/dbraw/zinc/03/44/27/343034427.db2.gz IXNNGXBXXRXKAQ-UHFFFAOYSA-N 1 1 269.301 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CCCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000595318319 343034429 /nfs/dbraw/zinc/03/44/29/343034429.db2.gz IXNNGXBXXRXKAQ-UHFFFAOYSA-N 1 1 269.301 1.892 20 5 CDBDMO COC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595321731 343035349 /nfs/dbraw/zinc/03/53/49/343035349.db2.gz YFHTUAGAZPRYON-JTQLQIEISA-N 1 1 269.301 1.750 20 5 CDBDMO COC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595321731 343035351 /nfs/dbraw/zinc/03/53/51/343035351.db2.gz YFHTUAGAZPRYON-JTQLQIEISA-N 1 1 269.301 1.750 20 5 CDBDMO O=C1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000595388057 343052879 /nfs/dbraw/zinc/05/28/79/343052879.db2.gz TVEURIXFMHFRNZ-LLVKDONJSA-N 1 1 289.335 1.695 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595450304 343066150 /nfs/dbraw/zinc/06/61/50/343066150.db2.gz UHVUVOAJRAHCBE-CYBMUJFWSA-N 1 1 283.328 1.876 20 5 CDBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595450304 343066151 /nfs/dbraw/zinc/06/61/51/343066151.db2.gz UHVUVOAJRAHCBE-CYBMUJFWSA-N 1 1 283.328 1.876 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595458614 343069130 /nfs/dbraw/zinc/06/91/30/343069130.db2.gz KRCJATBAQJBMBG-GDPRMGEGSA-N 1 1 283.328 1.873 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595458614 343069133 /nfs/dbraw/zinc/06/91/33/343069133.db2.gz KRCJATBAQJBMBG-GDPRMGEGSA-N 1 1 283.328 1.873 20 5 CDBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507747 343080143 /nfs/dbraw/zinc/08/01/43/343080143.db2.gz QCNHGQJFORKOHK-AWEZNQCLSA-N 1 1 293.371 1.209 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595556219 343089437 /nfs/dbraw/zinc/08/94/37/343089437.db2.gz ARNBRCIIPVXQKV-ZYHUDNBSSA-N 1 1 270.260 1.237 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090387 343234006 /nfs/dbraw/zinc/23/40/06/343234006.db2.gz CWVABCRJNRHDCD-SNVBAGLBSA-N 1 1 278.312 1.200 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596147433 343244013 /nfs/dbraw/zinc/24/40/13/343244013.db2.gz WYZWOTHNRQFWAQ-ONGXEEELSA-N 1 1 292.339 1.588 20 5 CDBDMO CCOc1cc(N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980201 344306767 /nfs/dbraw/zinc/30/67/67/344306767.db2.gz RGZXAJMQKIPCIX-GFCCVEGCSA-N 1 1 295.339 1.106 20 5 CDBDMO CCOc1cc(N2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980201 344306769 /nfs/dbraw/zinc/30/67/69/344306769.db2.gz RGZXAJMQKIPCIX-GFCCVEGCSA-N 1 1 295.339 1.106 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000602819369 344608636 /nfs/dbraw/zinc/60/86/36/344608636.db2.gz ABANRGZHGKQNAY-GWCFXTLKSA-N 1 1 294.355 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000602819369 344608638 /nfs/dbraw/zinc/60/86/38/344608638.db2.gz ABANRGZHGKQNAY-GWCFXTLKSA-N 1 1 294.355 1.599 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)[N@H+]1C ZINC000159738283 362514972 /nfs/dbraw/zinc/51/49/72/362514972.db2.gz STGSVMQJYHRGGN-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)[N@@H+]1C ZINC000159738283 362514975 /nfs/dbraw/zinc/51/49/75/362514975.db2.gz STGSVMQJYHRGGN-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000609574234 345814399 /nfs/dbraw/zinc/81/43/99/345814399.db2.gz WRQRPSQYSMDXQZ-JTQLQIEISA-N 1 1 263.297 1.793 20 5 CDBDMO Cc1ccnc(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000609839830 346005657 /nfs/dbraw/zinc/00/56/57/346005657.db2.gz YOULXIRKZGNNHY-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000610506686 346297844 /nfs/dbraw/zinc/29/78/44/346297844.db2.gz KRQYAOHZKFWEMF-YPMHNXCESA-N 1 1 275.308 1.448 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000610506686 346297846 /nfs/dbraw/zinc/29/78/46/346297846.db2.gz KRQYAOHZKFWEMF-YPMHNXCESA-N 1 1 275.308 1.448 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000610514201 346300558 /nfs/dbraw/zinc/30/05/58/346300558.db2.gz QGRPTOGKKKJGBD-NSHDSACASA-N 1 1 297.380 1.957 20 5 CDBDMO CC[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611091913 346605218 /nfs/dbraw/zinc/60/52/18/346605218.db2.gz COJCQJBOACNXGQ-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000611259092 346723547 /nfs/dbraw/zinc/72/35/47/346723547.db2.gz LRFDASNKTYLFFO-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611222045 346696538 /nfs/dbraw/zinc/69/65/38/346696538.db2.gz PWKFTLDEXJTQJU-QWRGUYRKSA-N 1 1 264.329 1.909 20 5 CDBDMO CC1(C)CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829086 348243132 /nfs/dbraw/zinc/24/31/32/348243132.db2.gz FGGPONQSHIVOLW-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO CC1(C)CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614829086 348243136 /nfs/dbraw/zinc/24/31/36/348243136.db2.gz FGGPONQSHIVOLW-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1CO ZINC000615455830 348514481 /nfs/dbraw/zinc/51/44/81/348514481.db2.gz IRVWJSPFABWVAH-CABZTGNLSA-N 1 1 291.307 1.939 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CC1CC1 ZINC000064516820 348942631 /nfs/dbraw/zinc/94/26/31/348942631.db2.gz MMKHXFTXXRHALT-UHFFFAOYSA-N 1 1 280.324 1.808 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccno3)C2)nc1 ZINC000072665109 349128226 /nfs/dbraw/zinc/12/82/26/349128226.db2.gz QCSUHUBCBONIPJ-JTQLQIEISA-N 1 1 289.295 1.664 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccno3)C2)nc1 ZINC000072665109 349128227 /nfs/dbraw/zinc/12/82/27/349128227.db2.gz QCSUHUBCBONIPJ-JTQLQIEISA-N 1 1 289.295 1.664 20 5 CDBDMO C[C@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCC[C@H](C)C1 ZINC000251585980 350165467 /nfs/dbraw/zinc/16/54/67/350165467.db2.gz BEGCHLDNZJIGMX-WDEREUQCSA-N 1 1 281.360 1.861 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000515666276 362956430 /nfs/dbraw/zinc/95/64/30/362956430.db2.gz VIQQAGWMGLLTJA-OAHLLOKOSA-N 1 1 293.367 1.266 20 5 CDBDMO Cc1cc(OCc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000311262275 350661895 /nfs/dbraw/zinc/66/18/95/350661895.db2.gz UVDIYKVKEMUEDN-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968138 350735232 /nfs/dbraw/zinc/73/52/32/350735232.db2.gz OOLMFEUGEATZKU-SECBINFHSA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1cn[nH]c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000291601582 198046900 /nfs/dbraw/zinc/04/69/00/198046900.db2.gz QMFZYQUOHDKSBN-UHFFFAOYSA-N 1 1 275.312 1.592 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628260 366056824 /nfs/dbraw/zinc/05/68/24/366056824.db2.gz LUNCFKARVJTYDY-VXGBXAGGSA-N 1 1 282.344 1.274 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(CO)CCC1 ZINC000292083305 198157463 /nfs/dbraw/zinc/15/74/63/198157463.db2.gz FYOMMNCKNXKEFJ-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C[N@H+](CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000153103834 188065380 /nfs/dbraw/zinc/06/53/80/188065380.db2.gz MTJYBVLZNBYTQK-UHFFFAOYSA-N 1 1 275.312 1.361 20 5 CDBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475553 188144172 /nfs/dbraw/zinc/14/41/72/188144172.db2.gz LGGLMVKNBQUSCT-GFCCVEGCSA-N 1 1 295.339 1.214 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)O ZINC000175264711 355926829 /nfs/dbraw/zinc/92/68/29/355926829.db2.gz KDDUHSIAEDEYGP-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)O ZINC000175264711 355926836 /nfs/dbraw/zinc/92/68/36/355926836.db2.gz KDDUHSIAEDEYGP-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@@H](NC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000341352561 357235158 /nfs/dbraw/zinc/23/51/58/357235158.db2.gz BATXENICMHAZFH-LLVKDONJSA-N 1 1 292.339 1.613 20 5 CDBDMO Cc1ccnc(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420639614 357671288 /nfs/dbraw/zinc/67/12/88/357671288.db2.gz SCVCIELCKCNXDN-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186808836 357694591 /nfs/dbraw/zinc/69/45/91/357694591.db2.gz JGXKTADBCHBLKO-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)c(F)c1 ZINC000188500712 357904352 /nfs/dbraw/zinc/90/43/52/357904352.db2.gz ASRCRTAEFNBAPQ-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c(F)c1 ZINC000188500712 357904356 /nfs/dbraw/zinc/90/43/56/357904356.db2.gz ASRCRTAEFNBAPQ-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000189488162 358017031 /nfs/dbraw/zinc/01/70/31/358017031.db2.gz IPWUOXRFORRXJC-SECBINFHSA-N 1 1 296.249 1.036 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000189488162 358017034 /nfs/dbraw/zinc/01/70/34/358017034.db2.gz IPWUOXRFORRXJC-SECBINFHSA-N 1 1 296.249 1.036 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472545 358047629 /nfs/dbraw/zinc/04/76/29/358047629.db2.gz QKINOSKFXXZLFU-MNOVXSKESA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663360 358410867 /nfs/dbraw/zinc/41/08/67/358410867.db2.gz UCJXVNAEDVYOTG-CMPLNLGQSA-N 1 1 250.298 1.655 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000566970635 358612046 /nfs/dbraw/zinc/61/20/46/358612046.db2.gz CWKDTROTJXRULN-ZDUSSCGKSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000566970635 358612051 /nfs/dbraw/zinc/61/20/51/358612051.db2.gz CWKDTROTJXRULN-ZDUSSCGKSA-N 1 1 280.328 1.292 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000451767253 359078611 /nfs/dbraw/zinc/07/86/11/359078611.db2.gz ZCMMTYNYQIXFQE-LERXQTSPSA-N 1 1 280.324 1.656 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342578906 359119657 /nfs/dbraw/zinc/11/96/57/359119657.db2.gz WORJGTXTPMOHNT-SNVBAGLBSA-N 1 1 282.344 1.773 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000048335487 359200193 /nfs/dbraw/zinc/20/01/93/359200193.db2.gz UODODWGFXBQRNT-JTQLQIEISA-N 1 1 296.323 1.844 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339779805 359437674 /nfs/dbraw/zinc/43/76/74/359437674.db2.gz HDHWFLWRHBLPTR-GFCCVEGCSA-N 1 1 293.323 1.041 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000339804509 359448361 /nfs/dbraw/zinc/44/83/61/359448361.db2.gz QTZHBWPVTMICSO-JTQLQIEISA-N 1 1 282.344 1.393 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884266 360464007 /nfs/dbraw/zinc/46/40/07/360464007.db2.gz LSLWHURGSNHYGH-GXSJLCMTSA-N 1 1 268.288 1.937 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358127445 360785009 /nfs/dbraw/zinc/78/50/09/360785009.db2.gz HHWPXHZDJDHXBC-VIFPVBQESA-N 1 1 269.301 1.646 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000178857783 189150873 /nfs/dbraw/zinc/15/08/73/189150873.db2.gz IECOTFYYDJRBAZ-OLZOCXBDSA-N 1 1 266.297 1.085 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000178859705 189151261 /nfs/dbraw/zinc/15/12/61/189151261.db2.gz MSUHNRIEZGIZMP-FZMZJTMJSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1C1CC1 ZINC000177154633 238274645 /nfs/dbraw/zinc/27/46/45/238274645.db2.gz KWDGFXBPMGUIQY-IUCAKERBSA-N 1 1 279.296 1.543 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368303 361166750 /nfs/dbraw/zinc/16/67/50/361166750.db2.gz CLIFASQEWXSLJQ-ZYHUDNBSSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408472091 361233610 /nfs/dbraw/zinc/23/36/10/361233610.db2.gz YVKOAVNYSNNQPP-SCZZXKLOSA-N 1 1 281.337 1.432 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716120 361605339 /nfs/dbraw/zinc/60/53/39/361605339.db2.gz XWVKNONUCAWSEK-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[C@H]1CN(C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716120 361605346 /nfs/dbraw/zinc/60/53/46/361605346.db2.gz XWVKNONUCAWSEK-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[C@H]1CN(C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716120 361605351 /nfs/dbraw/zinc/60/53/51/361605351.db2.gz XWVKNONUCAWSEK-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCF)C2)nc1 ZINC000137513295 363996393 /nfs/dbraw/zinc/99/63/93/363996393.db2.gz HKILZZPNEWTQJU-SNVBAGLBSA-N 1 1 268.292 1.836 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000545397650 364073156 /nfs/dbraw/zinc/07/31/56/364073156.db2.gz QYIJHWVVUUIUBO-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000174868134 364587156 /nfs/dbraw/zinc/58/71/56/364587156.db2.gz ZBIWJGSJGKGXFB-VHSXEESVSA-N 1 1 270.358 1.617 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159503 364630851 /nfs/dbraw/zinc/63/08/51/364630851.db2.gz JYQIDRILUARVDY-JTQLQIEISA-N 1 1 296.327 1.065 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000264303485 364897183 /nfs/dbraw/zinc/89/71/83/364897183.db2.gz RUCKBVZUQZLIJB-GHMZBOCLSA-N 1 1 280.328 1.511 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)c(F)c1 ZINC000275480733 193053839 /nfs/dbraw/zinc/05/38/39/193053839.db2.gz DSQDZBVYGBKHIX-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])ccc3=O)cn2c1 ZINC000031672648 365356803 /nfs/dbraw/zinc/35/68/03/365356803.db2.gz ICTVHUMYRXHGDF-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442932 367246956 /nfs/dbraw/zinc/24/69/56/367246956.db2.gz ITXSBYHGBBFFBR-NEPJUHHUSA-N 1 1 291.355 1.614 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546611 367760157 /nfs/dbraw/zinc/76/01/57/367760157.db2.gz KEURAKIQVVMUHW-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795052 368133088 /nfs/dbraw/zinc/13/30/88/368133088.db2.gz OGKMFMVZYHMRHL-KOLCDFICSA-N 1 1 292.339 1.588 20 5 CDBDMO C[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000008317648 370914640 /nfs/dbraw/zinc/91/46/40/370914640.db2.gz NJZHVOVYFXCAMC-UHFFFAOYSA-N 1 1 281.341 1.446 20 5 CDBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660678 203090109 /nfs/dbraw/zinc/09/01/09/203090109.db2.gz QYONVYIAOVNYRB-DMDPSCGWSA-N 1 1 282.344 1.415 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330894470 203361969 /nfs/dbraw/zinc/36/19/69/203361969.db2.gz FISFNFVPXZSOEA-DGCLKSJQSA-N 1 1 291.351 1.736 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299287075 370272351 /nfs/dbraw/zinc/27/23/51/370272351.db2.gz XWLCSNRPZYYFNE-UHFFFAOYSA-N 1 1 257.315 1.338 20 5 CDBDMO C[C@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637989 373243416 /nfs/dbraw/zinc/24/34/16/373243416.db2.gz HYOSVBUZWVVLDA-STQMWFEESA-N 1 1 266.297 1.085 20 5 CDBDMO COC[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650357 373292065 /nfs/dbraw/zinc/29/20/65/373292065.db2.gz MDHIVELCRARXIN-FZMZJTMJSA-N 1 1 280.324 1.597 20 5 CDBDMO CCOc1cc(NC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000091673741 374098719 /nfs/dbraw/zinc/09/87/19/374098719.db2.gz OVIFVAIYJJRVFT-GFCCVEGCSA-N 1 1 295.339 1.736 20 5 CDBDMO CCOc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000091673741 374098728 /nfs/dbraw/zinc/09/87/28/374098728.db2.gz OVIFVAIYJJRVFT-GFCCVEGCSA-N 1 1 295.339 1.736 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000420954204 374309124 /nfs/dbraw/zinc/30/91/24/374309124.db2.gz JTPNIWHQJFVBIZ-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000420954204 374309128 /nfs/dbraw/zinc/30/91/28/374309128.db2.gz JTPNIWHQJFVBIZ-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487763 374386796 /nfs/dbraw/zinc/38/67/96/374386796.db2.gz XTXNJEOAVMXHCS-RISCZKNCSA-N 1 1 278.356 1.149 20 5 CDBDMO Cc1c([C@@H](C)NC[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531725 374388189 /nfs/dbraw/zinc/38/81/89/374388189.db2.gz YOGNKLSCOWBVQP-VXGBXAGGSA-N 1 1 279.340 1.542 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411010 374674058 /nfs/dbraw/zinc/67/40/58/374674058.db2.gz CBBIJDACXFOSGP-JTQLQIEISA-N 1 1 281.312 1.790 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898971 374791157 /nfs/dbraw/zinc/79/11/57/374791157.db2.gz VLKQIGHLFMJVOY-LLVKDONJSA-N 1 1 279.340 1.717 20 5 CDBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017402 374879822 /nfs/dbraw/zinc/87/98/22/374879822.db2.gz VOUHVPAGMGBSGC-GHMZBOCLSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356913561 374848124 /nfs/dbraw/zinc/84/81/24/374848124.db2.gz YHUVEYZDESHNGN-BDAKNGLRSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356913561 374848127 /nfs/dbraw/zinc/84/81/27/374848127.db2.gz YHUVEYZDESHNGN-BDAKNGLRSA-N 1 1 283.353 1.821 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000302559067 375215598 /nfs/dbraw/zinc/21/55/98/375215598.db2.gz SUDDOTHENNZNJI-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293935178 375438307 /nfs/dbraw/zinc/43/83/07/375438307.db2.gz QTMKADMHSDHJQP-NSHDSACASA-N 1 1 268.313 1.806 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353021413 375565641 /nfs/dbraw/zinc/56/56/41/375565641.db2.gz JZGDMXZBAFEBTC-MRVPVSSYSA-N 1 1 290.270 1.389 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353021413 375565647 /nfs/dbraw/zinc/56/56/47/375565647.db2.gz JZGDMXZBAFEBTC-MRVPVSSYSA-N 1 1 290.270 1.389 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353021414 375565758 /nfs/dbraw/zinc/56/57/58/375565758.db2.gz JZGDMXZBAFEBTC-QMMMGPOBSA-N 1 1 290.270 1.389 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353021414 375565763 /nfs/dbraw/zinc/56/57/63/375565763.db2.gz JZGDMXZBAFEBTC-QMMMGPOBSA-N 1 1 290.270 1.389 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353472360 375614433 /nfs/dbraw/zinc/61/44/33/375614433.db2.gz TVSIHNQBGUNPJR-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000344921186 375658383 /nfs/dbraw/zinc/65/83/83/375658383.db2.gz NWVNUMGPHZQBCS-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H](O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728716 375746326 /nfs/dbraw/zinc/74/63/26/375746326.db2.gz IHLWJUSZDZHNPE-NWDGAFQWSA-N 1 1 294.355 1.637 20 5 CDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000355036644 375770010 /nfs/dbraw/zinc/77/00/10/375770010.db2.gz XGJXHWYLTVBPDI-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000355036644 375770015 /nfs/dbraw/zinc/77/00/15/375770015.db2.gz XGJXHWYLTVBPDI-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO Cc1c(C[N@H+](CC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134015785 375803384 /nfs/dbraw/zinc/80/33/84/375803384.db2.gz JGPKILNNPZIBSA-UHFFFAOYSA-N 1 1 279.340 1.989 20 5 CDBDMO Cc1c(C[N@@H+](CC(N)=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000134015785 375803389 /nfs/dbraw/zinc/80/33/89/375803389.db2.gz JGPKILNNPZIBSA-UHFFFAOYSA-N 1 1 279.340 1.989 20 5 CDBDMO CCOC1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000428739643 247358107 /nfs/dbraw/zinc/35/81/07/247358107.db2.gz IMNUFNNKZASIOP-UHFFFAOYSA-N 1 1 282.344 1.719 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCC2)CC1 ZINC000172044849 377237381 /nfs/dbraw/zinc/23/73/81/377237381.db2.gz IAXXUSZMTTVPPU-UHFFFAOYSA-N 1 1 289.335 1.905 20 5 CDBDMO Cc1nc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357548520 378191861 /nfs/dbraw/zinc/19/18/61/378191861.db2.gz NYRPDBABXXIMQG-SNVBAGLBSA-N 1 1 266.345 1.861 20 5 CDBDMO C[C@H](CO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129398066 781968394 /nfs/dbraw/zinc/96/83/94/781968394.db2.gz MYGMONMMGAMPTD-SECBINFHSA-N 1 1 299.302 1.375 20 5 CDBDMO COCCOCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000289096699 197234077 /nfs/dbraw/zinc/23/40/77/197234077.db2.gz UXKRDHRITAKQMS-UHFFFAOYSA-N 1 1 298.339 1.568 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764732 781977994 /nfs/dbraw/zinc/97/79/94/781977994.db2.gz NJKRPXSNADXYOE-VDKLAZJHSA-N 1 1 292.335 1.141 20 5 CDBDMO C[C@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000432879202 390493364 /nfs/dbraw/zinc/49/33/64/390493364.db2.gz KKCVNCLZIRKGGS-NSHDSACASA-N 1 1 297.359 1.241 20 5 CDBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000433166823 390496993 /nfs/dbraw/zinc/49/69/93/390496993.db2.gz LNJMULRIVXUHNP-ZDUSSCGKSA-N 1 1 282.340 1.813 20 5 CDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000433166823 390496997 /nfs/dbraw/zinc/49/69/97/390496997.db2.gz LNJMULRIVXUHNP-ZDUSSCGKSA-N 1 1 282.340 1.813 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043054 390663029 /nfs/dbraw/zinc/66/30/29/390663029.db2.gz USSPINOZZAYCKW-ZDUSSCGKSA-N 1 1 295.339 1.257 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000619697243 390657337 /nfs/dbraw/zinc/65/73/37/390657337.db2.gz MNOZMTCGPYBHQO-RKDXNWHRSA-N 1 1 270.358 1.970 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000619697243 390657341 /nfs/dbraw/zinc/65/73/41/390657341.db2.gz MNOZMTCGPYBHQO-RKDXNWHRSA-N 1 1 270.358 1.970 20 5 CDBDMO O=C(CC[N@H+](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411168128 390966155 /nfs/dbraw/zinc/96/61/55/390966155.db2.gz PQQQPEGVTJGIQP-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO CCc1nn(C)c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366112792 391340677 /nfs/dbraw/zinc/34/06/77/391340677.db2.gz RBTAMKHJFBSPEP-CQSZACIVSA-N 1 1 293.371 1.423 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343542653 391634199 /nfs/dbraw/zinc/63/41/99/391634199.db2.gz YQTOSXTVPMTYTH-CABZTGNLSA-N 1 1 295.314 1.946 20 5 CDBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000353421998 391902664 /nfs/dbraw/zinc/90/26/64/391902664.db2.gz MQMMOSXGCPOOFG-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243042 391907694 /nfs/dbraw/zinc/90/76/94/391907694.db2.gz VOBKDLHOQTWZMU-ZWNOBZJWSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243042 391907700 /nfs/dbraw/zinc/90/77/00/391907700.db2.gz VOBKDLHOQTWZMU-ZWNOBZJWSA-N 1 1 282.344 1.311 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355166 391918623 /nfs/dbraw/zinc/91/86/23/391918623.db2.gz XQCMOHCBFCILPS-UWVGGRQHSA-N 1 1 294.359 1.106 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000488038859 392202573 /nfs/dbraw/zinc/20/25/73/392202573.db2.gz BYAYHZHZBHIAMS-ZIAGYGMSSA-N 1 1 296.323 1.449 20 5 CDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000263707540 131313398 /nfs/dbraw/zinc/31/33/98/131313398.db2.gz MKGLLDUBXXGJAT-NSHDSACASA-N 1 1 289.335 1.826 20 5 CDBDMO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771951 392494023 /nfs/dbraw/zinc/49/40/23/392494023.db2.gz UGNZIXDRSWRSMZ-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000459694540 392499744 /nfs/dbraw/zinc/49/97/44/392499744.db2.gz AAGPZCZSMIXAHU-NSHDSACASA-N 1 1 282.344 1.719 20 5 CDBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000459694540 392499753 /nfs/dbraw/zinc/49/97/53/392499753.db2.gz AAGPZCZSMIXAHU-NSHDSACASA-N 1 1 282.344 1.719 20 5 CDBDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000252728171 392680719 /nfs/dbraw/zinc/68/07/19/392680719.db2.gz AEIMTPRJZZFPLZ-IUODEOHRSA-N 1 1 293.367 1.903 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803933 392728129 /nfs/dbraw/zinc/72/81/29/392728129.db2.gz ZGSRCYVWIQSKKE-NWDGAFQWSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418923 392897770 /nfs/dbraw/zinc/89/77/70/392897770.db2.gz HAVGIXQGNBJJDN-NEPJUHHUSA-N 1 1 291.355 1.756 20 5 CDBDMO C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486328 392963768 /nfs/dbraw/zinc/96/37/68/392963768.db2.gz WIECRKWQPQWHIE-BXUZGUMPSA-N 1 1 278.356 1.149 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000170793238 393108348 /nfs/dbraw/zinc/10/83/48/393108348.db2.gz NCQFEGRDGIKTGE-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CCC[N@H+](CC(N)=O)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430153786 393090844 /nfs/dbraw/zinc/09/08/44/393090844.db2.gz WDDHHVFAVYWESF-UHFFFAOYSA-N 1 1 265.313 1.601 20 5 CDBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430153786 393090848 /nfs/dbraw/zinc/09/08/48/393090848.db2.gz WDDHHVFAVYWESF-UHFFFAOYSA-N 1 1 265.313 1.601 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000162580178 139915518 /nfs/dbraw/zinc/91/55/18/139915518.db2.gz PNEAIJNAYPSTNH-UHFFFAOYSA-N 1 1 277.202 1.058 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000219297280 140166113 /nfs/dbraw/zinc/16/61/13/140166113.db2.gz ZRDDQAKGZIGYRS-MNOVXSKESA-N 1 1 279.344 1.675 20 5 CDBDMO Cc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639092 140321402 /nfs/dbraw/zinc/32/14/02/140321402.db2.gz JLROGEZBNFISDW-RYUDHWBXSA-N 1 1 292.339 1.573 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067509 397910851 /nfs/dbraw/zinc/91/08/51/397910851.db2.gz NSZXJZPRYKVGLL-CMPLNLGQSA-N 1 1 262.313 1.520 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744933 398133566 /nfs/dbraw/zinc/13/35/66/398133566.db2.gz AJKAOAVQKFDZSW-CMPLNLGQSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042444 149306121 /nfs/dbraw/zinc/30/61/21/149306121.db2.gz NADLXIIVELBMPQ-JQWIXIFHSA-N 1 1 277.324 1.807 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830448 151933846 /nfs/dbraw/zinc/93/38/46/151933846.db2.gz JLJFOBNJTRPHHO-LBPRGKRZSA-N 1 1 269.276 1.212 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352668940 155341632 /nfs/dbraw/zinc/34/16/32/155341632.db2.gz WADMJQSABOGDJE-YPMHNXCESA-N 1 1 293.323 1.039 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000345980503 153016077 /nfs/dbraw/zinc/01/60/77/153016077.db2.gz LCEJUWGKYOCUMJ-ZJUUUORDSA-N 1 1 280.328 1.478 20 5 CDBDMO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc[nH+]1 ZINC000346895723 153340717 /nfs/dbraw/zinc/34/07/17/153340717.db2.gz ZLIUENVNVDHTPL-UHFFFAOYSA-N 1 1 289.295 1.647 20 5 CDBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000355583697 157128936 /nfs/dbraw/zinc/12/89/36/157128936.db2.gz MWLVPOXQMHQQMN-UHFFFAOYSA-N 1 1 294.307 1.741 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362090189 159067827 /nfs/dbraw/zinc/06/78/27/159067827.db2.gz XJSJVJGURDRRNX-CMPLNLGQSA-N 1 1 280.324 1.664 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595464 159190166 /nfs/dbraw/zinc/19/01/66/159190166.db2.gz CYVZXZIQJAKPAY-RISCZKNCSA-N 1 1 291.351 1.451 20 5 CDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373401004 160197377 /nfs/dbraw/zinc/19/73/77/160197377.db2.gz UKIDXNCRKPYDNZ-GWCFXTLKSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373401004 160197378 /nfs/dbraw/zinc/19/73/78/160197378.db2.gz UKIDXNCRKPYDNZ-GWCFXTLKSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@@H]1COCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000374341981 160275653 /nfs/dbraw/zinc/27/56/53/160275653.db2.gz RIUKTULTZSOMNQ-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO CC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000008308439 170329855 /nfs/dbraw/zinc/32/98/55/170329855.db2.gz CEDIVBZKSLVSIC-UHFFFAOYSA-N 1 1 281.341 1.446 20 5 CDBDMO CC(C)(CC(N)=O)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285694756 196369103 /nfs/dbraw/zinc/36/91/03/196369103.db2.gz RGCJOSUEARMDSM-UHFFFAOYSA-N 1 1 287.266 1.617 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3CC3)n2)cc1 ZINC000037606194 173554550 /nfs/dbraw/zinc/55/45/50/173554550.db2.gz XQFBHNUANKWYHZ-UHFFFAOYSA-N 1 1 260.253 1.897 20 5 CDBDMO CCc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000322894055 270331442 /nfs/dbraw/zinc/33/14/42/270331442.db2.gz FSNQHVBEIAVGOY-FGWVZKOKSA-N 1 1 293.371 1.928 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000378097892 275040143 /nfs/dbraw/zinc/04/01/43/275040143.db2.gz ADYCBRCDCFBYJZ-GFCCVEGCSA-N 1 1 272.308 1.965 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250819792 275041433 /nfs/dbraw/zinc/04/14/33/275041433.db2.gz XKBRWLFXJDZZKR-UWVGGRQHSA-N 1 1 263.301 1.424 20 5 CDBDMO CCNCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235841 276266535 /nfs/dbraw/zinc/26/65/35/276266535.db2.gz BLIFJWMSVHRWFY-NEPJUHHUSA-N 1 1 281.360 1.474 20 5 CDBDMO COc1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278770861 278017127 /nfs/dbraw/zinc/01/71/27/278017127.db2.gz OLIPMDSXHHHMMJ-PHIMTYICSA-N 1 1 277.324 1.601 20 5 CDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053183701 279182816 /nfs/dbraw/zinc/18/28/16/279182816.db2.gz GFBVKLLCAUMYQS-UHFFFAOYSA-N 1 1 293.323 1.884 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000518241447 281016780 /nfs/dbraw/zinc/01/67/80/281016780.db2.gz VUBVCBIGJBKMNI-NEPJUHHUSA-N 1 1 292.339 1.290 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000570301379 294213326 /nfs/dbraw/zinc/21/33/26/294213326.db2.gz JXLZSYAMBXQZLH-UHFFFAOYSA-N 1 1 292.251 1.135 20 5 CDBDMO COCC[N@@H+]1[C@H](C)CN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000826629502 782092258 /nfs/dbraw/zinc/09/22/58/782092258.db2.gz UUFHSTNWONHGSX-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187909130 524087236 /nfs/dbraw/zinc/08/72/36/524087236.db2.gz QRTNPWLICXQDBZ-YPMHNXCESA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541198 526998255 /nfs/dbraw/zinc/99/82/55/526998255.db2.gz BBUIGLAHYCUYCW-NEPJUHHUSA-N 1 1 292.339 1.573 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000426801588 535022208 /nfs/dbraw/zinc/02/22/08/535022208.db2.gz VAKBDUJCTKZXDO-JTQLQIEISA-N 1 1 294.355 1.636 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000732183876 575082910 /nfs/dbraw/zinc/08/29/10/575082910.db2.gz ULLPDBGATRAGTK-SNVBAGLBSA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000732183876 575082911 /nfs/dbraw/zinc/08/29/11/575082911.db2.gz ULLPDBGATRAGTK-SNVBAGLBSA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761039881 576536482 /nfs/dbraw/zinc/53/64/82/576536482.db2.gz FWZRDTCWNIUPKA-QMMMGPOBSA-N 1 1 278.234 1.676 20 5 CDBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCC1 ZINC000742170660 576584125 /nfs/dbraw/zinc/58/41/25/576584125.db2.gz WAGBYYOYTKVWGF-UHFFFAOYSA-N 1 1 289.133 1.996 20 5 CDBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCC1 ZINC000742170660 576584127 /nfs/dbraw/zinc/58/41/27/576584127.db2.gz WAGBYYOYTKVWGF-UHFFFAOYSA-N 1 1 289.133 1.996 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197791 576586936 /nfs/dbraw/zinc/58/69/36/576586936.db2.gz ACAHMPBCZKMITH-SNVBAGLBSA-N 1 1 263.297 1.371 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197791 576586937 /nfs/dbraw/zinc/58/69/37/576586937.db2.gz ACAHMPBCZKMITH-SNVBAGLBSA-N 1 1 263.297 1.371 20 5 CDBDMO O=C1N(C[NH+]2CCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786059 577126850 /nfs/dbraw/zinc/12/68/50/577126850.db2.gz KZFNRUZRTRZVAM-UHFFFAOYSA-N 1 1 290.323 1.890 20 5 CDBDMO COC(=O)CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000753169019 577151006 /nfs/dbraw/zinc/15/10/06/577151006.db2.gz AZDPYTVBDIHLKJ-UHFFFAOYSA-N 1 1 296.327 1.414 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891999377 617397365 /nfs/dbraw/zinc/39/73/65/617397365.db2.gz BPGQPYXSGAWYEB-SECBINFHSA-N 1 1 278.312 1.647 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035228 617429198 /nfs/dbraw/zinc/42/91/98/617429198.db2.gz BKBUMFUNVPXTCG-VIFPVBQESA-N 1 1 253.306 1.223 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000893884915 618138189 /nfs/dbraw/zinc/13/81/89/618138189.db2.gz VMBWMDVVSXTFLQ-AWEZNQCLSA-N 1 1 296.323 1.656 20 5 CDBDMO CCN(CC)[C@@H](C[NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000899863928 622497895 /nfs/dbraw/zinc/49/78/95/622497895.db2.gz CJFCWLZBSXWYAA-HNNXBMFYSA-N 1 1 295.383 1.944 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](F)C1 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CDBDMO Cc1nc(Cl)nc(N2CC[N@@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158425504 1162980958 /nfs/dbraw/zinc/98/09/58/1162980958.db2.gz PZORMVFZSOTPAA-QMMMGPOBSA-N 1 1 283.719 1.241 20 5 CDBDMO Cc1nc(Cl)nc(N2CC[N@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158425504 1162980961 /nfs/dbraw/zinc/98/09/61/1162980961.db2.gz PZORMVFZSOTPAA-QMMMGPOBSA-N 1 1 283.719 1.241 20 5 CDBDMO Cc1noc(C[NH+]2CCC(C(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000879629664 1166388893 /nfs/dbraw/zinc/38/88/93/1166388893.db2.gz UIALDPSFVHXAFV-UHFFFAOYSA-N 1 1 283.328 1.874 20 5 CDBDMO C[C@@]([NH3+])(C(=O)Nc1ccsn1)c1cccc([N+](=O)[O-])c1 ZINC001576084464 1171330303 /nfs/dbraw/zinc/33/03/03/1171330303.db2.gz CGNWEPBZWVRFGH-LBPRGKRZSA-N 1 1 292.320 1.864 20 5 CDBDMO Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408068096 719154881 /nfs/dbraw/zinc/15/48/81/719154881.db2.gz RKRZROQHNRARDO-QWRGUYRKSA-N 1 1 264.329 1.827 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591974 1164452107 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CCOC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177632934 898241787 /nfs/dbraw/zinc/24/17/87/898241787.db2.gz OKYNJSILXGJTKT-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000712597376 909571253 /nfs/dbraw/zinc/57/12/53/909571253.db2.gz LOVBBSRVEYBKCA-SNVBAGLBSA-N 1 1 278.312 1.070 20 5 CDBDMO CNc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000712597376 909571264 /nfs/dbraw/zinc/57/12/64/909571264.db2.gz LOVBBSRVEYBKCA-SNVBAGLBSA-N 1 1 278.312 1.070 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348428 936456075 /nfs/dbraw/zinc/45/60/75/936456075.db2.gz GDGPACGPJBMAQG-AAEUAGOBSA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@@H]21 ZINC000827009200 936472871 /nfs/dbraw/zinc/47/28/71/936472871.db2.gz NDWQTCRYLUVBNQ-STQMWFEESA-N 1 1 297.399 1.765 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674465 936603249 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CC[C@H](C)[N@@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823025254 931245219 /nfs/dbraw/zinc/24/52/19/931245219.db2.gz NOBGXDLTSJLEDK-NSHDSACASA-N 1 1 273.377 1.668 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939017 931264071 /nfs/dbraw/zinc/26/40/71/931264071.db2.gz KKCZPEGQKYTELA-DOMZBBRYSA-N 1 1 289.335 1.619 20 5 CDBDMO COc1ccccc1C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929502689 933241291 /nfs/dbraw/zinc/24/12/91/933241291.db2.gz UQAQYRUYLSTPNB-UHFFFAOYSA-N 1 1 279.340 1.090 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000929978146 933293097 /nfs/dbraw/zinc/29/30/97/933293097.db2.gz AHPZBVOOTPGQRO-UHFFFAOYSA-N 1 1 291.351 1.500 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933910625 933873416 /nfs/dbraw/zinc/87/34/16/933873416.db2.gz ZVWQNUIYYYBLCU-ZDUSSCGKSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933910625 933873422 /nfs/dbraw/zinc/87/34/22/933873422.db2.gz 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OTNIYWZRPNTXTP-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO C[C@H]1CC2(C[N@H+]1CCn1ccc([N+](=O)[O-])n1)CCOCC2 ZINC000592184014 342679805 /nfs/dbraw/zinc/67/98/05/342679805.db2.gz WZFHPVRHKKJDEU-LBPRGKRZSA-N 1 1 294.355 1.682 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231895 361846839 /nfs/dbraw/zinc/84/68/39/361846839.db2.gz RDZIBRVYVDXBDR-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@@H+](C)C1 ZINC000592830065 342741331 /nfs/dbraw/zinc/74/13/31/342741331.db2.gz AZZNVKFMTIIGOU-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO C[C@@H]1[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592751415 342721760 /nfs/dbraw/zinc/72/17/60/342721760.db2.gz URRBPVYVHRWMCA-ZWNOBZJWSA-N 1 1 277.324 1.551 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000593031093 342755597 /nfs/dbraw/zinc/75/55/97/342755597.db2.gz RGNAFEUTKHHWLS-LBPRGKRZSA-N 1 1 277.324 1.348 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CO1 ZINC000593057268 342760421 /nfs/dbraw/zinc/76/04/21/342760421.db2.gz DYXWHSGLPLBFOY-NWDGAFQWSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CO1 ZINC000593057268 342760422 /nfs/dbraw/zinc/76/04/22/342760422.db2.gz DYXWHSGLPLBFOY-NWDGAFQWSA-N 1 1 282.344 1.681 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593065980 342761721 /nfs/dbraw/zinc/76/17/21/342761721.db2.gz IJACSNIGOFPSGX-VXGBXAGGSA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593065980 342761723 /nfs/dbraw/zinc/76/17/23/342761723.db2.gz IJACSNIGOFPSGX-VXGBXAGGSA-N 1 1 296.323 1.185 20 5 CDBDMO NC(=O)c1ccc(Cn2cc[nH+]c2C2CC2)c([N+](=O)[O-])c1 ZINC000600612982 342238463 /nfs/dbraw/zinc/23/84/63/342238463.db2.gz DICMSNXRKBWHLA-UHFFFAOYSA-N 1 1 286.291 1.816 20 5 CDBDMO CC1(C)[C@H](N)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404728483 349776904 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CC[C@@H]([NH2+]CCc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC000595418945 343054720 /nfs/dbraw/zinc/05/47/20/343054720.db2.gz GRIBVVPDXGLIJA-CYBMUJFWSA-N 1 1 275.312 1.996 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595736399 343135873 /nfs/dbraw/zinc/13/58/73/343135873.db2.gz FNRUPNYIAPKLNL-AWEZNQCLSA-N 1 1 296.323 1.321 20 5 CDBDMO O=c1[nH]ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000596102850 343227639 /nfs/dbraw/zinc/22/76/39/343227639.db2.gz RPRWLVNCEHLDBY-UHFFFAOYSA-N 1 1 289.295 1.803 20 5 CDBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(CO)COC1 ZINC000089117115 342387779 /nfs/dbraw/zinc/38/77/79/342387779.db2.gz SXQNPMVHIZHSHH-UHFFFAOYSA-N 1 1 294.351 1.814 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093333402 342422079 /nfs/dbraw/zinc/42/20/79/342422079.db2.gz VSBNXKPUPPBVPH-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000093502567 342429324 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LAVXXACXWKIJRH-UHFFFAOYSA-N 1 1 266.297 1.696 20 5 CDBDMO CC(C)CNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285399579 196272840 /nfs/dbraw/zinc/27/28/40/196272840.db2.gz TVYGFOWGKUKCPW-UHFFFAOYSA-N 1 1 293.367 1.841 20 5 CDBDMO CC(C)CNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285399579 196272842 /nfs/dbraw/zinc/27/28/42/196272842.db2.gz TVYGFOWGKUKCPW-UHFFFAOYSA-N 1 1 293.367 1.841 20 5 CDBDMO Cc1ccnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835317 177396243 /nfs/dbraw/zinc/39/62/43/177396243.db2.gz ZELXOTZYJFOEAR-VXGBXAGGSA-N 1 1 292.339 1.573 20 5 CDBDMO COCC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000280724770 274030802 /nfs/dbraw/zinc/03/08/02/274030802.db2.gz CLGCFDSPCPKEAZ-UHFFFAOYSA-N 1 1 283.303 1.502 20 5 CDBDMO COCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000279837491 274031201 /nfs/dbraw/zinc/03/12/01/274031201.db2.gz GHTZYWJONLYNOL-UHFFFAOYSA-N 1 1 265.313 1.363 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000275860452 274271106 /nfs/dbraw/zinc/27/11/06/274271106.db2.gz TZGSBCCOQZCNIT-SNVBAGLBSA-N 1 1 299.758 1.751 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)[N@@H+]1C ZINC000292802829 274364353 /nfs/dbraw/zinc/36/43/53/274364353.db2.gz NKDVEBCYDJAUQI-DTORHVGOSA-N 1 1 291.311 1.660 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127233 276070584 /nfs/dbraw/zinc/07/05/84/276070584.db2.gz SIINHSBQVUEFOD-UONOGXRCSA-N 1 1 291.351 1.766 20 5 CDBDMO CN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509887 276759525 /nfs/dbraw/zinc/75/95/25/276759525.db2.gz GTWXIDMZOAMMGU-OLZOCXBDSA-N 1 1 295.387 1.816 20 5 CDBDMO O=[N+]([O-])c1ccn(CCn2c[nH+]c3c2CCCC3)n1 ZINC000451193924 280799898 /nfs/dbraw/zinc/79/98/98/280799898.db2.gz YHGQHFOCIJJBMX-UHFFFAOYSA-N 1 1 261.285 1.567 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000178243328 281013998 /nfs/dbraw/zinc/01/39/98/281013998.db2.gz WPHPZZMUSUCMNY-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO Cc1cccc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302514441 281228065 /nfs/dbraw/zinc/22/80/65/281228065.db2.gz UUGGOPOBIXYZHW-CHWSQXEVSA-N 1 1 293.367 1.795 20 5 CDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000582916268 325071419 /nfs/dbraw/zinc/07/14/19/325071419.db2.gz WLMYHBFJZUOTLG-UHFFFAOYSA-N 1 1 282.344 1.563 20 5 CDBDMO Cc1ccc(CN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000298388251 533931990 /nfs/dbraw/zinc/93/19/90/533931990.db2.gz FMZMQHGMYIKGOF-UHFFFAOYSA-N 1 1 279.340 1.013 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423238 519625618 /nfs/dbraw/zinc/62/56/18/519625618.db2.gz URRHVYOZLMGOPO-CQSZACIVSA-N 1 1 291.351 1.895 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000050770040 522642875 /nfs/dbraw/zinc/64/28/75/522642875.db2.gz UPLKMOANXBYMME-SNVBAGLBSA-N 1 1 292.339 1.318 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288555447 529134885 /nfs/dbraw/zinc/13/48/85/529134885.db2.gz TUGSFXHVUWUPGH-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288555447 529134886 /nfs/dbraw/zinc/13/48/86/529134886.db2.gz TUGSFXHVUWUPGH-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO COCCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000189899702 536522443 /nfs/dbraw/zinc/52/24/43/536522443.db2.gz MLNOVVIXMOSTTD-UHFFFAOYSA-N 1 1 268.313 1.426 20 5 CDBDMO COc1cc(C[N@@H+](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305811614 536747307 /nfs/dbraw/zinc/74/73/07/536747307.db2.gz IEJHGVFHRKUJCL-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO COC(=O)c1ccc(OC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187671668 538448410 /nfs/dbraw/zinc/44/84/10/538448410.db2.gz SYKZMGWENYNGPE-JTQLQIEISA-N 1 1 294.307 1.712 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000742195849 575991807 /nfs/dbraw/zinc/99/18/07/575991807.db2.gz LCQXTEJPZMKDDP-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000742195849 575991809 /nfs/dbraw/zinc/99/18/09/575991809.db2.gz LCQXTEJPZMKDDP-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO O=[N+]([O-])c1cn(C[NH+]2CCCC2)nc1-c1ccncc1 ZINC000742145010 576583144 /nfs/dbraw/zinc/58/31/44/576583144.db2.gz ZLWOVOLXPCLDDU-UHFFFAOYSA-N 1 1 273.296 1.907 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750068850 576974823 /nfs/dbraw/zinc/97/48/23/576974823.db2.gz BFKQNKYDHXRYNA-CHWSQXEVSA-N 1 1 266.297 1.349 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCF)C2)nc1 ZINC000759341084 577171259 /nfs/dbraw/zinc/17/12/59/577171259.db2.gz CHHCMIISIGBJRY-SECBINFHSA-N 1 1 254.265 1.446 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCF)C2)nc1 ZINC000759341084 577171260 /nfs/dbraw/zinc/17/12/60/577171260.db2.gz CHHCMIISIGBJRY-SECBINFHSA-N 1 1 254.265 1.446 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892076732 617465330 /nfs/dbraw/zinc/46/53/30/617465330.db2.gz HIUITFSMBHCOHC-SNVBAGLBSA-N 1 1 296.323 1.777 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCOC[C@H](C)C2)c1[N+](=O)[O-] ZINC000892076732 617465333 /nfs/dbraw/zinc/46/53/33/617465333.db2.gz HIUITFSMBHCOHC-SNVBAGLBSA-N 1 1 296.323 1.777 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892285461 617693263 /nfs/dbraw/zinc/69/32/63/617693263.db2.gz XJILMNKGWAPRKI-VIFPVBQESA-N 1 1 255.322 1.471 20 5 CDBDMO Cc1nc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893941126 618205233 /nfs/dbraw/zinc/20/52/33/618205233.db2.gz QTZRHDVBXREHJX-ZYHUDNBSSA-N 1 1 262.313 1.439 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928244624 618598449 /nfs/dbraw/zinc/59/84/49/618598449.db2.gz AHOCRQPQJRQJLL-PWSUYJOCSA-N 1 1 277.324 1.724 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)c1C ZINC000928571610 619417878 /nfs/dbraw/zinc/41/78/78/619417878.db2.gz PFMFAGQDIIIIFA-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1C ZINC000928571610 619417879 /nfs/dbraw/zinc/41/78/79/619417879.db2.gz PFMFAGQDIIIIFA-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245964 619491762 /nfs/dbraw/zinc/49/17/62/619491762.db2.gz KSAMRHORHAZNOH-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895245964 619491764 /nfs/dbraw/zinc/49/17/64/619491764.db2.gz KSAMRHORHAZNOH-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895245964 619491768 /nfs/dbraw/zinc/49/17/68/619491768.db2.gz KSAMRHORHAZNOH-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNc1c([N+](=O)[O-])cnn1C ZINC000895988948 619939242 /nfs/dbraw/zinc/93/92/42/619939242.db2.gz GXDXDSUDXRWYIN-UHFFFAOYSA-N 1 1 278.316 1.760 20 5 CDBDMO CCCNC(=O)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905051826 626387577 /nfs/dbraw/zinc/38/75/77/626387577.db2.gz XINHFMVJZZJLSI-UHFFFAOYSA-N 1 1 265.313 1.193 20 5 CDBDMO CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000827309120 630684331 /nfs/dbraw/zinc/68/43/31/630684331.db2.gz AWNJXEZKHCHDMY-NSHDSACASA-N 1 1 271.361 1.375 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327651 1162337309 /nfs/dbraw/zinc/33/73/09/1162337309.db2.gz GVQKUEOZXMMZRN-CMPLNLGQSA-N 1 1 280.324 1.601 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC001168754819 1161512926 /nfs/dbraw/zinc/51/29/26/1161512926.db2.gz YMUZLNBHDKQXPS-UHFFFAOYSA-N 1 1 287.201 1.653 20 5 CDBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052036 1162187438 /nfs/dbraw/zinc/18/74/38/1162187438.db2.gz KGKBGNRTUGMSEK-KBPBESRZSA-N 1 1 269.389 1.850 20 5 CDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C[NH+](C)C ZINC000866262559 1164761005 /nfs/dbraw/zinc/76/10/05/1164761005.db2.gz BUYNROVAJDFDOS-GWCFXTLKSA-N 1 1 299.346 1.177 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873722452 1165583979 /nfs/dbraw/zinc/58/39/79/1165583979.db2.gz CGXDSPROVOFDMU-UHFFFAOYSA-N 1 1 291.351 1.989 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080679 1171326795 /nfs/dbraw/zinc/32/67/95/1171326795.db2.gz FRUFQKNFTCEFMZ-SMDDNHRTSA-N 1 1 295.314 1.729 20 5 CDBDMO Cc1conc1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579832837 1172276620 /nfs/dbraw/zinc/27/66/20/1172276620.db2.gz YOYNFSMGPQFPCF-CYBMUJFWSA-N 1 1 290.279 1.704 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530380 784068947 /nfs/dbraw/zinc/06/89/47/784068947.db2.gz ZHKMEFURPFEYRQ-CABCVRRESA-N 1 1 294.351 1.987 20 5 CDBDMO CCOC(=O)CC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885979689 784899041 /nfs/dbraw/zinc/89/90/41/784899041.db2.gz KCUQTFZHPWIGPA-UHFFFAOYSA-N 1 1 267.285 1.375 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000885979689 784899052 /nfs/dbraw/zinc/89/90/52/784899052.db2.gz KCUQTFZHPWIGPA-UHFFFAOYSA-N 1 1 267.285 1.375 20 5 CDBDMO O=[N+]([O-])c1c(N[C@H]2CCn3cc[nH+]c3C2)nc2ccccn21 ZINC000777802279 785046212 /nfs/dbraw/zinc/04/62/12/785046212.db2.gz PHCRYKUIIDORTA-JTQLQIEISA-N 1 1 298.306 1.866 20 5 CDBDMO C[N@H+](CC1=CCCOC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852519329 785723024 /nfs/dbraw/zinc/72/30/24/785723024.db2.gz YZHIANGNMZNZGU-OAHLLOKOSA-N 1 1 292.335 1.907 20 5 CDBDMO CN(C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000929522441 785808918 /nfs/dbraw/zinc/80/89/18/785808918.db2.gz WJFJNAVHHTVWGF-LLVKDONJSA-N 1 1 287.360 1.452 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276885 785814919 /nfs/dbraw/zinc/81/49/19/785814919.db2.gz KZPSQSBGVMEPHZ-SWLSCSKDSA-N 1 1 293.367 1.654 20 5 CDBDMO CCc1nc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)co1 ZINC000819354046 786007582 /nfs/dbraw/zinc/00/75/82/786007582.db2.gz FTTHEWSKJNFRPP-CYBMUJFWSA-N 1 1 291.307 1.968 20 5 CDBDMO CCCC[N@@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886113976 786383885 /nfs/dbraw/zinc/38/38/85/786383885.db2.gz DMKISECPGKYPDO-UHFFFAOYSA-N 1 1 267.329 1.974 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140059 787032625 /nfs/dbraw/zinc/03/26/25/787032625.db2.gz WIBFAZQXKJAESY-AAVRWANBSA-N 1 1 295.383 1.469 20 5 CDBDMO Cc1cc(NCC[N@H+](C)CCOCCO)ccc1[N+](=O)[O-] ZINC000882951368 787125708 /nfs/dbraw/zinc/12/57/08/787125708.db2.gz AZQMBHPWFAUFMX-UHFFFAOYSA-N 1 1 297.355 1.256 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000885981721 787435418 /nfs/dbraw/zinc/43/54/18/787435418.db2.gz LPDXLFYZCNTLOO-SNVBAGLBSA-N 1 1 251.286 1.601 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000885981721 787435435 /nfs/dbraw/zinc/43/54/35/787435435.db2.gz LPDXLFYZCNTLOO-SNVBAGLBSA-N 1 1 251.286 1.601 20 5 CDBDMO C[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891607 787562906 /nfs/dbraw/zinc/56/29/06/787562906.db2.gz YNZZHTVUYLZLCT-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO CN1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891607 787562927 /nfs/dbraw/zinc/56/29/27/787562927.db2.gz YNZZHTVUYLZLCT-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO CN1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891607 787562940 /nfs/dbraw/zinc/56/29/40/787562940.db2.gz YNZZHTVUYLZLCT-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959278 787800542 /nfs/dbraw/zinc/80/05/42/787800542.db2.gz AFVAVYNASFTDBZ-VIFPVBQESA-N 1 1 294.311 1.283 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277304 787802253 /nfs/dbraw/zinc/80/22/53/787802253.db2.gz HKNSPBQKAWUCNX-XUJVJEKNSA-N 1 1 294.351 1.579 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886217594 787889977 /nfs/dbraw/zinc/88/99/77/787889977.db2.gz CXFXRSGZUOWDLR-OAHLLOKOSA-N 1 1 290.367 1.908 20 5 CDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000313064509 788035970 /nfs/dbraw/zinc/03/59/70/788035970.db2.gz OWTPTYHJWOGUHX-UHFFFAOYSA-N 1 1 283.303 1.738 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000923266063 788036623 /nfs/dbraw/zinc/03/66/23/788036623.db2.gz ODLRTUJFUQVUEU-NWDGAFQWSA-N 1 1 283.372 1.517 20 5 CDBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCCC1 ZINC000839949663 788083723 /nfs/dbraw/zinc/08/37/23/788083723.db2.gz MPBNZKUGEKCEDV-CQSZACIVSA-N 1 1 291.307 1.585 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121166 788525832 /nfs/dbraw/zinc/52/58/32/788525832.db2.gz WZDCMYHWJNFSSU-UWVGGRQHSA-N 1 1 251.286 1.193 20 5 CDBDMO CN(CC[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791051998 788720749 /nfs/dbraw/zinc/72/07/49/788720749.db2.gz JHRNJOQMRAVFGB-HNNXBMFYSA-N 1 1 277.368 1.717 20 5 CDBDMO Cc1c(C(=O)OCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000861384965 788778015 /nfs/dbraw/zinc/77/80/15/788778015.db2.gz IVGWSWMBGNSXOH-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO COCC[N@H+](C)CCCC1CCN(CC[N+](=O)[O-])CC1 ZINC000787728522 788810406 /nfs/dbraw/zinc/81/04/06/788810406.db2.gz FVJARSURYWJBKM-UHFFFAOYSA-N 1 1 287.404 1.334 20 5 CDBDMO COCC[N@@H+](C)CCCC1CCN(CC[N+](=O)[O-])CC1 ZINC000787728522 788810407 /nfs/dbraw/zinc/81/04/07/788810407.db2.gz FVJARSURYWJBKM-UHFFFAOYSA-N 1 1 287.404 1.334 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000776590393 788847434 /nfs/dbraw/zinc/84/74/34/788847434.db2.gz DFRRDJSHYHWWDV-HUUCEWRRSA-N 1 1 292.335 1.741 20 5 CDBDMO C[NH+](C)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930853 789621728 /nfs/dbraw/zinc/62/17/28/789621728.db2.gz FTQBABRMBLMJSF-CQSZACIVSA-N 1 1 293.367 1.702 20 5 CDBDMO C[C@@H]1NCCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627557 789847836 /nfs/dbraw/zinc/84/78/36/789847836.db2.gz BQYDZJSSYRWVJA-FZMZJTMJSA-N 1 1 263.341 1.867 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)OCCO2 ZINC001173227301 912320082 /nfs/dbraw/zinc/32/00/82/912320082.db2.gz PLWYAQCXBNDEIO-LBPRGKRZSA-N 1 1 292.335 1.975 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229207 912319597 /nfs/dbraw/zinc/31/95/97/912319597.db2.gz RNZSHLHGUXZXBQ-TUKIKUTGSA-N 1 1 294.351 1.871 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC(=O)N(C)C ZINC001173234032 912325030 /nfs/dbraw/zinc/32/50/30/912325030.db2.gz OSGBOBIQHCSVRE-LBPRGKRZSA-N 1 1 293.367 1.936 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001173229959 912327170 /nfs/dbraw/zinc/32/71/70/912327170.db2.gz WNLIKMRBEOZUIN-JKOKRWQUSA-N 1 1 282.315 1.931 20 5 CDBDMO O=C(NCC[NH2+]Cc1ccc(CF)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932270 909886459 /nfs/dbraw/zinc/88/64/59/909886459.db2.gz PJUFYUXMNGLCLE-CHWSQXEVSA-N 1 1 295.314 1.027 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961230 927582545 /nfs/dbraw/zinc/58/25/45/927582545.db2.gz IGTFWLBANBRXLU-NXEZZACHSA-N 1 1 256.302 1.117 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169009970 927614417 /nfs/dbraw/zinc/61/44/17/927614417.db2.gz ABMRAKAAUYSVBX-LPWJVIDDSA-N 1 1 256.346 1.525 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011258 927616356 /nfs/dbraw/zinc/61/63/56/927616356.db2.gz IZACILMSOQLHGS-WHOHXGKFSA-N 1 1 252.314 1.628 20 5 CDBDMO O=C1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169010623 927617397 /nfs/dbraw/zinc/61/73/97/927617397.db2.gz FGAVZWUVQFTFMX-GMTAPVOTSA-N 1 1 258.293 1.435 20 5 CDBDMO CN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039154 927651132 /nfs/dbraw/zinc/65/11/32/927651132.db2.gz NSZTYQGBNQEKHV-VXGBXAGGSA-N 1 1 255.362 1.458 20 5 CDBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169057950 927675923 /nfs/dbraw/zinc/67/59/23/927675923.db2.gz ZIBRYQDQRMZTER-UMSGYPCISA-N 1 1 266.341 1.733 20 5 CDBDMO Cc1cc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000853264495 927994478 /nfs/dbraw/zinc/99/44/78/927994478.db2.gz FSRUWQLKQONXIA-UHFFFAOYSA-N 1 1 298.368 1.151 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170857074 930460354 /nfs/dbraw/zinc/46/03/54/930460354.db2.gz HTECXSBCHMTFTN-GFCCVEGCSA-N 1 1 277.284 1.007 20 5 CDBDMO CS[C@H]1CC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271124 931771196 /nfs/dbraw/zinc/77/11/96/931771196.db2.gz YUSAUOYWROZYSF-KOLCDFICSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271124 931771200 /nfs/dbraw/zinc/77/12/00/931771200.db2.gz YUSAUOYWROZYSF-KOLCDFICSA-N 1 1 270.358 1.965 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156658375 938402208 /nfs/dbraw/zinc/40/22/08/938402208.db2.gz HUJVBIVBNIUGKZ-LBPRGKRZSA-N 1 1 258.281 1.899 20 5 CDBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4CC[C@@H]4C3)nc2c1 ZINC001158424063 938622728 /nfs/dbraw/zinc/62/27/28/938622728.db2.gz SDZOKDAWFBRHDQ-LLVKDONJSA-N 1 1 285.307 1.432 20 5 CDBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3CC[C@@H]3C2)nc2[nH]ccc21 ZINC001158431635 938624669 /nfs/dbraw/zinc/62/46/69/938624669.db2.gz FJMUZRWTAARINY-SECBINFHSA-N 1 1 273.296 1.365 20 5 CDBDMO Cc1cc(C[NH3+])nn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001163986351 939373662 /nfs/dbraw/zinc/37/36/62/939373662.db2.gz ZYDSTEGHXJKDCU-UHFFFAOYSA-N 1 1 272.268 1.424 20 5 CDBDMO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCC1(F)F ZINC001164319222 939454560 /nfs/dbraw/zinc/45/45/60/939454560.db2.gz BCCGPIKQRSHJIV-QMMMGPOBSA-N 1 1 276.218 1.302 20 5 CDBDMO Cn1cc(NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1=O ZINC001165279179 939539845 /nfs/dbraw/zinc/53/98/45/939539845.db2.gz QDUAVFNCHFUUNQ-LLVKDONJSA-N 1 1 294.355 1.437 20 5 CDBDMO O=[N+]([O-])c1ncccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001225629284 941891318 /nfs/dbraw/zinc/89/13/18/941891318.db2.gz JDHLJLHHAOMHTL-SECBINFHSA-N 1 1 260.253 1.580 20 5 CDBDMO Cc1cnc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227234268 942154656 /nfs/dbraw/zinc/15/46/56/942154656.db2.gz FLCJMVYXTDCBJB-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228609336 942342462 /nfs/dbraw/zinc/34/24/62/942342462.db2.gz CWDNQPBLIARELC-MRVPVSSYSA-O 1 1 297.335 1.441 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001234880183 943965964 /nfs/dbraw/zinc/96/59/64/943965964.db2.gz YDFCNCCRHMOWPU-SECBINFHSA-N 1 1 267.285 1.471 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001254566302 947527824 /nfs/dbraw/zinc/52/78/24/947527824.db2.gz SNEWKGJCMZOWIG-UBHSHLNASA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001254566302 947527837 /nfs/dbraw/zinc/52/78/37/947527837.db2.gz SNEWKGJCMZOWIG-UBHSHLNASA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001254566307 947528607 /nfs/dbraw/zinc/52/86/07/947528607.db2.gz SNEWKGJCMZOWIG-XBFCOCLRSA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001254566307 947528626 /nfs/dbraw/zinc/52/86/26/947528626.db2.gz SNEWKGJCMZOWIG-XBFCOCLRSA-N 1 1 275.352 1.914 20 5 CDBDMO CC[N@@H+](CCN(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596671 947545834 /nfs/dbraw/zinc/54/58/34/947545834.db2.gz DXGUKHMYEMFPGW-OAHLLOKOSA-N 1 1 277.368 1.946 20 5 CDBDMO CCN(CC[NH+](C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596671 947545845 /nfs/dbraw/zinc/54/58/45/947545845.db2.gz DXGUKHMYEMFPGW-OAHLLOKOSA-N 1 1 277.368 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H](F)C[C@H]1CO)C2 ZINC001254600663 947549249 /nfs/dbraw/zinc/54/92/49/947549249.db2.gz UROIUXMKVKHGIQ-XBFCOCLRSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H](F)C[C@H]1CO)C2 ZINC001254600663 947549260 /nfs/dbraw/zinc/54/92/60/947549260.db2.gz UROIUXMKVKHGIQ-XBFCOCLRSA-N 1 1 280.299 1.467 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605704 947554315 /nfs/dbraw/zinc/55/43/15/947554315.db2.gz CTCWWMNHEJZHKE-OAHLLOKOSA-N 1 1 284.319 1.984 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCN3CCC1CC3)C2 ZINC001254602987 947554468 /nfs/dbraw/zinc/55/44/68/947554468.db2.gz JOVXQTDICJFFFI-INIZCTEOSA-N 1 1 287.363 1.842 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCN3CCC1CC3)C2 ZINC001254602987 947554480 /nfs/dbraw/zinc/55/44/80/947554480.db2.gz JOVXQTDICJFFFI-INIZCTEOSA-N 1 1 287.363 1.842 20 5 CDBDMO [NH3+]C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553354 948258952 /nfs/dbraw/zinc/25/89/52/948258952.db2.gz AYVJIPPKKRGYTI-GMTAPVOTSA-N 1 1 277.315 1.348 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246613380 948346438 /nfs/dbraw/zinc/34/64/38/948346438.db2.gz YUPLQXTWMPYNLY-HZSPNIEDSA-N 1 1 267.373 1.650 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC001326089566 954211464 /nfs/dbraw/zinc/21/14/64/954211464.db2.gz CGHMWODLSHEZIX-LLVKDONJSA-N 1 1 264.329 1.474 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001333671279 958496731 /nfs/dbraw/zinc/49/67/31/958496731.db2.gz PZERBRPBUCGLDU-MNOVXSKESA-N 1 1 279.344 1.249 20 5 CDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001334783808 959360817 /nfs/dbraw/zinc/36/08/17/959360817.db2.gz QPUVEHMQHXHSTJ-NSHDSACASA-N 1 1 258.318 1.317 20 5 CDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001334783808 959360838 /nfs/dbraw/zinc/36/08/38/959360838.db2.gz QPUVEHMQHXHSTJ-NSHDSACASA-N 1 1 258.318 1.317 20 5 CDBDMO Cc1ccnc(C2CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC001341075775 963265844 /nfs/dbraw/zinc/26/58/44/963265844.db2.gz HLDODJSEDQZMAX-UHFFFAOYSA-N 1 1 250.302 1.241 20 5 CDBDMO [NH3+][C@H](CC(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC001345958028 964870455 /nfs/dbraw/zinc/87/04/55/964870455.db2.gz REMDORYJOYNMOY-MRVPVSSYSA-N 1 1 299.237 1.619 20 5 CDBDMO Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599199819 343979755 /nfs/dbraw/zinc/97/97/55/343979755.db2.gz RJEYXIFAWXNXKF-JTQLQIEISA-N 1 1 283.303 1.521 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+](C)C ZINC000590550171 342576237 /nfs/dbraw/zinc/57/62/37/342576237.db2.gz NOATYOXUXBSVTN-UHFFFAOYSA-N 1 1 251.286 1.712 20 5 CDBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CC2)C1 ZINC000590703693 342582506 /nfs/dbraw/zinc/58/25/06/342582506.db2.gz UUYIUXGRAPZWFO-SNVBAGLBSA-N 1 1 279.344 1.249 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159517106 361984224 /nfs/dbraw/zinc/98/42/24/361984224.db2.gz MIJYUAUDTXEEGV-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO C[N@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290412 343024231 /nfs/dbraw/zinc/02/42/31/343024231.db2.gz BAHKJHDVNFSHJB-UHFFFAOYSA-N 1 1 267.304 1.871 20 5 CDBDMO CC[N@@H+](CCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329961 343036891 /nfs/dbraw/zinc/03/68/91/343036891.db2.gz FNTFKRSKDYSDPF-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347860 343044505 /nfs/dbraw/zinc/04/45/05/343044505.db2.gz NXKWXKRKKTZWKN-LBPRGKRZSA-N 1 1 283.284 1.276 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347860 343044507 /nfs/dbraw/zinc/04/45/07/343044507.db2.gz NXKWXKRKKTZWKN-LBPRGKRZSA-N 1 1 283.284 1.276 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000595459333 343069804 /nfs/dbraw/zinc/06/98/04/343069804.db2.gz NHCGFLABYCRUEF-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595462261 343070676 /nfs/dbraw/zinc/07/06/76/343070676.db2.gz SRTLOLWGXKRVHS-LLVKDONJSA-N 1 1 255.274 1.550 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595766577 343145514 /nfs/dbraw/zinc/14/55/14/343145514.db2.gz PVVBVTGNEBTCET-TVQRCGJNSA-N 1 1 290.323 1.816 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595766577 343145517 /nfs/dbraw/zinc/14/55/17/343145517.db2.gz PVVBVTGNEBTCET-TVQRCGJNSA-N 1 1 290.323 1.816 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595767177 343146215 /nfs/dbraw/zinc/14/62/15/343146215.db2.gz WFWZGVWARYRYGD-ZYHUDNBSSA-N 1 1 250.298 1.940 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC1(C)C ZINC000595910230 343190019 /nfs/dbraw/zinc/19/00/19/343190019.db2.gz RXNOONWYBIVWEC-NSHDSACASA-N 1 1 279.340 1.734 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)C3)nc2c1 ZINC000083173278 342377627 /nfs/dbraw/zinc/37/76/27/342377627.db2.gz PRHLNYVZHRWOEN-SECBINFHSA-N 1 1 263.253 1.303 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](O)C3)nc2c1 ZINC000083173278 342377628 /nfs/dbraw/zinc/37/76/28/342377628.db2.gz PRHLNYVZHRWOEN-SECBINFHSA-N 1 1 263.253 1.303 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(OCCc2c[nH+]cn2C)n1 ZINC000596269277 343281235 /nfs/dbraw/zinc/28/12/35/343281235.db2.gz QFWYAZUBALDLOK-UHFFFAOYSA-N 1 1 276.296 1.962 20 5 CDBDMO Cc1nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596428012 343312409 /nfs/dbraw/zinc/31/24/09/343312409.db2.gz GMPPKHUYMSHSQQ-GHMZBOCLSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596428012 343312410 /nfs/dbraw/zinc/31/24/10/343312410.db2.gz GMPPKHUYMSHSQQ-GHMZBOCLSA-N 1 1 294.355 1.241 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535447848 282257839 /nfs/dbraw/zinc/25/78/39/282257839.db2.gz VTCCWUDYJLNUBG-GFCCVEGCSA-N 1 1 277.324 1.205 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000619578690 349810059 /nfs/dbraw/zinc/81/00/59/349810059.db2.gz MWYCZRSASSRAKT-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO CC(C)CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304322853 349829905 /nfs/dbraw/zinc/82/99/05/349829905.db2.gz MNPLIVPMEUBXIN-LBPRGKRZSA-N 1 1 270.333 1.130 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342585 343770834 /nfs/dbraw/zinc/77/08/34/343770834.db2.gz LKIJVWFVWIBRQI-NSHDSACASA-N 1 1 277.324 1.809 20 5 CDBDMO CC1(C)CC[C@H](CO)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598647477 343857022 /nfs/dbraw/zinc/85/70/22/343857022.db2.gz MXRLAUBHABWTER-LLVKDONJSA-N 1 1 282.344 1.274 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCCO)C2CC2)c1 ZINC000265445151 362255671 /nfs/dbraw/zinc/25/56/71/362255671.db2.gz RJBTXNJCJOONCN-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000599140580 343960058 /nfs/dbraw/zinc/96/00/58/343960058.db2.gz WBZSUBUIKDDPET-NSHDSACASA-N 1 1 264.329 1.556 20 5 CDBDMO CCOc1cc(N2CC[N@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980202 344306977 /nfs/dbraw/zinc/30/69/77/344306977.db2.gz RGZXAJMQKIPCIX-LBPRGKRZSA-N 1 1 295.339 1.106 20 5 CDBDMO CCOc1cc(N2CC[N@@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980202 344306978 /nfs/dbraw/zinc/30/69/78/344306978.db2.gz RGZXAJMQKIPCIX-LBPRGKRZSA-N 1 1 295.339 1.106 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000273195034 192071710 /nfs/dbraw/zinc/07/17/10/192071710.db2.gz QLGWQKYFJARDFH-JTQLQIEISA-N 1 1 265.317 1.671 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000602833393 344614514 /nfs/dbraw/zinc/61/45/14/344614514.db2.gz YRDGAZRLSBEZAM-ZDUSSCGKSA-N 1 1 295.387 1.372 20 5 CDBDMO COC[C@H]1CCCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602812259 344604314 /nfs/dbraw/zinc/60/43/14/344604314.db2.gz OXRAQXFIBMAMCQ-ZDUSSCGKSA-N 1 1 296.371 1.848 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819398 344608574 /nfs/dbraw/zinc/60/85/74/344608574.db2.gz AUBVXNOIPNCFTF-CYBMUJFWSA-N 1 1 282.344 1.601 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1(C)C ZINC000602842203 344622195 /nfs/dbraw/zinc/62/21/95/344622195.db2.gz QTWSZLJWUPZDLQ-LBPRGKRZSA-N 1 1 296.371 1.847 20 5 CDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000051589437 344781869 /nfs/dbraw/zinc/78/18/69/344781869.db2.gz KVHGHKJRVPRWLM-UHFFFAOYSA-N 1 1 293.323 1.184 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000051589437 344781873 /nfs/dbraw/zinc/78/18/73/344781873.db2.gz KVHGHKJRVPRWLM-UHFFFAOYSA-N 1 1 293.323 1.184 20 5 CDBDMO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(=O)[nH]1 ZINC000344320368 362568694 /nfs/dbraw/zinc/56/86/94/362568694.db2.gz CYNFOIARYRVYTI-UHFFFAOYSA-N 1 1 292.270 1.828 20 5 CDBDMO CC1=CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273262096 192091992 /nfs/dbraw/zinc/09/19/92/192091992.db2.gz ZJQVCFXLLVBDTG-ZDUSSCGKSA-N 1 1 292.335 1.987 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609984701 346054037 /nfs/dbraw/zinc/05/40/37/346054037.db2.gz XQCGRMMPYYGXLF-ZDUSSCGKSA-N 1 1 294.355 1.346 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609984701 346054039 /nfs/dbraw/zinc/05/40/39/346054039.db2.gz XQCGRMMPYYGXLF-ZDUSSCGKSA-N 1 1 294.355 1.346 20 5 CDBDMO Cn1cc[nH+]c1N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610279104 346242376 /nfs/dbraw/zinc/24/23/76/346242376.db2.gz VOFSVUWZYUQBNA-UHFFFAOYSA-N 1 1 288.311 1.050 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000610485044 346290767 /nfs/dbraw/zinc/29/07/67/346290767.db2.gz FLKUEERGQWJROL-UHFFFAOYSA-N 1 1 270.333 1.132 20 5 CDBDMO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ncn1 ZINC000611134785 346617755 /nfs/dbraw/zinc/61/77/55/346617755.db2.gz UOBBISODQSNZAE-UHFFFAOYSA-N 1 1 258.281 1.983 20 5 CDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000055673797 347849627 /nfs/dbraw/zinc/84/96/27/347849627.db2.gz LUQCTUJNYBXXTM-UHFFFAOYSA-N 1 1 295.364 1.824 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000025932021 348657848 /nfs/dbraw/zinc/65/78/48/348657848.db2.gz ISPWDJAZZDYDDG-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000025932021 348657849 /nfs/dbraw/zinc/65/78/49/348657849.db2.gz ISPWDJAZZDYDDG-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057707832 348844114 /nfs/dbraw/zinc/84/41/14/348844114.db2.gz ZXAPOCYFHJLCIX-MRVPVSSYSA-N 1 1 283.353 1.869 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000063704481 348929057 /nfs/dbraw/zinc/92/90/57/348929057.db2.gz LKRAFGDKOJSTAV-LLVKDONJSA-N 1 1 289.335 1.870 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000067282735 349020136 /nfs/dbraw/zinc/02/01/36/349020136.db2.gz BIXZSDPBRRRYST-UHFFFAOYSA-N 1 1 293.323 1.427 20 5 CDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000104919602 186031429 /nfs/dbraw/zinc/03/14/29/186031429.db2.gz RVBYVHASBNHBIQ-JTQLQIEISA-N 1 1 293.323 1.324 20 5 CDBDMO CCc1nn(C)c(NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091562298 180192528 /nfs/dbraw/zinc/19/25/28/180192528.db2.gz UIGPKEPIELIIGF-VIFPVBQESA-N 1 1 267.333 1.254 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000136253774 362953315 /nfs/dbraw/zinc/95/33/15/362953315.db2.gz OPKOEAFAMYJBED-LLVKDONJSA-N 1 1 268.317 1.027 20 5 CDBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767477 350965391 /nfs/dbraw/zinc/96/53/91/350965391.db2.gz ODRJBRJIEAFHPP-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153745774 188100536 /nfs/dbraw/zinc/10/05/36/188100536.db2.gz PBOBUQHIEKOJOK-ZDUSSCGKSA-N 1 1 295.339 1.216 20 5 CDBDMO CCCC[N@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153745774 188100537 /nfs/dbraw/zinc/10/05/37/188100537.db2.gz PBOBUQHIEKOJOK-ZDUSSCGKSA-N 1 1 295.339 1.216 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000292364604 198259685 /nfs/dbraw/zinc/25/96/85/198259685.db2.gz WHUMXYXTWWLBPW-ZDUSSCGKSA-N 1 1 295.364 1.824 20 5 CDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295174071 199387256 /nfs/dbraw/zinc/38/72/56/199387256.db2.gz URWSBKSSIBSTDL-ZDUSSCGKSA-N 1 1 293.323 1.867 20 5 CDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295174071 199387258 /nfs/dbraw/zinc/38/72/58/199387258.db2.gz URWSBKSSIBSTDL-ZDUSSCGKSA-N 1 1 293.323 1.867 20 5 CDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000157814651 188340650 /nfs/dbraw/zinc/34/06/50/188340650.db2.gz RGNLUBSZAYZYBT-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000157814651 188340651 /nfs/dbraw/zinc/34/06/51/188340651.db2.gz RGNLUBSZAYZYBT-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280253288 363229866 /nfs/dbraw/zinc/22/98/66/363229866.db2.gz NWMSDNMWYRYFKN-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273021408 192020901 /nfs/dbraw/zinc/02/09/01/192020901.db2.gz UAMAWJHYRMAOIL-LLVKDONJSA-N 1 1 289.335 1.975 20 5 CDBDMO CCCCC[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174863232 188921594 /nfs/dbraw/zinc/92/15/94/188921594.db2.gz NVQPKVVGAGWJCI-UHFFFAOYSA-N 1 1 270.333 1.276 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cn1 ZINC000273609823 192228738 /nfs/dbraw/zinc/22/87/38/192228738.db2.gz LQHGKFVEUUNHMF-UHFFFAOYSA-N 1 1 276.300 1.782 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609512371 356388717 /nfs/dbraw/zinc/38/87/17/356388717.db2.gz XSTSNVIIKQQWTK-VIFPVBQESA-N 1 1 271.342 1.159 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118854101 357036917 /nfs/dbraw/zinc/03/69/17/357036917.db2.gz SLZBFPWBTRNNCZ-UHFFFAOYSA-N 1 1 272.308 1.919 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993269 357151124 /nfs/dbraw/zinc/15/11/24/357151124.db2.gz ZMEXEXMKQZDPNA-VHSXEESVSA-N 1 1 279.296 1.544 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537610 357212845 /nfs/dbraw/zinc/21/28/45/357212845.db2.gz DUGIZKAYXQJTFZ-NSHDSACASA-N 1 1 284.287 1.568 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000264559488 357379216 /nfs/dbraw/zinc/37/92/16/357379216.db2.gz FFHVUFWKRVPDQT-LLVKDONJSA-N 1 1 265.313 1.727 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000274348904 357647629 /nfs/dbraw/zinc/64/76/29/357647629.db2.gz WKMGKCJAAMHADX-NOZJJQNGSA-N 1 1 298.314 1.945 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000274348904 357647635 /nfs/dbraw/zinc/64/76/35/357647635.db2.gz WKMGKCJAAMHADX-NOZJJQNGSA-N 1 1 298.314 1.945 20 5 CDBDMO C[C@H]([NH2+]Cc1cnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287186544 358157299 /nfs/dbraw/zinc/15/72/99/358157299.db2.gz KRHKWQFCPPKPQY-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192513720 358211142 /nfs/dbraw/zinc/21/11/42/358211142.db2.gz PALOUHNLQWHXTG-BETUJISGSA-N 1 1 289.335 1.537 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](O)C3)co2)cc1 ZINC000089893063 358443752 /nfs/dbraw/zinc/44/37/52/358443752.db2.gz SJXJXLBHPQAPEF-CYBMUJFWSA-N 1 1 289.291 1.816 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](O)C3)co2)cc1 ZINC000089893063 358443754 /nfs/dbraw/zinc/44/37/54/358443754.db2.gz SJXJXLBHPQAPEF-CYBMUJFWSA-N 1 1 289.291 1.816 20 5 CDBDMO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264840917 358723267 /nfs/dbraw/zinc/72/32/67/358723267.db2.gz JVHFGMZGFIQGRD-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000103062296 358902289 /nfs/dbraw/zinc/90/22/89/358902289.db2.gz IKVBRKGTPMOBRX-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO COCCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000342479379 359068158 /nfs/dbraw/zinc/06/81/58/359068158.db2.gz UEQWGDOFUXTBEX-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO COCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000342479379 359068162 /nfs/dbraw/zinc/06/81/62/359068162.db2.gz UEQWGDOFUXTBEX-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000338814138 359172209 /nfs/dbraw/zinc/17/22/09/359172209.db2.gz NEXAXJYWZVUQHO-UHFFFAOYSA-N 1 1 268.317 1.383 20 5 CDBDMO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339620065 359418054 /nfs/dbraw/zinc/41/80/54/359418054.db2.gz SUKGVWUBWSWTSP-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO O=C(C[N@@H+](CCO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000221203045 359519059 /nfs/dbraw/zinc/51/90/59/359519059.db2.gz LDMSIUMPMWELDB-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO O=C(C[N@H+](CCO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000221203045 359519061 /nfs/dbraw/zinc/51/90/61/359519061.db2.gz LDMSIUMPMWELDB-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359058 200161093 /nfs/dbraw/zinc/16/10/93/200161093.db2.gz BWFBKXVUNCMXPN-MWLCHTKSSA-N 1 1 279.344 1.470 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408365451 359690460 /nfs/dbraw/zinc/69/04/60/359690460.db2.gz QUOUKCNTJPTFQY-VIFPVBQESA-N 1 1 270.358 1.656 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408365451 359690463 /nfs/dbraw/zinc/69/04/63/359690463.db2.gz QUOUKCNTJPTFQY-VIFPVBQESA-N 1 1 270.358 1.656 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000385768657 359931910 /nfs/dbraw/zinc/93/19/10/359931910.db2.gz ALLYZYYENSBBCC-PWSUYJOCSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000298282527 200382963 /nfs/dbraw/zinc/38/29/63/200382963.db2.gz GKMLJMOGRNAYQF-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO COC[C@]1(CO)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924147 360233958 /nfs/dbraw/zinc/23/39/58/360233958.db2.gz IGUIILSKDAPSHA-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177870909 189075427 /nfs/dbraw/zinc/07/54/27/189075427.db2.gz HDCCITJMKFEXKL-VHSXEESVSA-N 1 1 277.324 1.924 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134390609 360996744 /nfs/dbraw/zinc/99/67/44/360996744.db2.gz WMISNWNORJNRAJ-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000339114883 361297658 /nfs/dbraw/zinc/29/76/58/361297658.db2.gz IABUGXYXXSWNJK-JTQLQIEISA-N 1 1 253.306 1.449 20 5 CDBDMO Cc1nc(NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000302125877 201351136 /nfs/dbraw/zinc/35/11/36/201351136.db2.gz FQGGRGMWEZITAI-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000275201171 192957173 /nfs/dbraw/zinc/95/71/73/192957173.db2.gz HQDXDMRNHDPUIJ-BQYQJAHWSA-N 1 1 289.335 1.817 20 5 CDBDMO COc1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934662 364752533 /nfs/dbraw/zinc/75/25/33/364752533.db2.gz WPRPKBAFPXTJNQ-GHMZBOCLSA-N 1 1 296.323 1.437 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cccnc3)C2)n1 ZINC000564208605 365406120 /nfs/dbraw/zinc/40/61/20/365406120.db2.gz MHMHENREKSMFMY-CYBMUJFWSA-N 1 1 287.323 1.676 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000270815782 366936127 /nfs/dbraw/zinc/93/61/27/366936127.db2.gz XQTILRPXAQSFJR-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000270815782 366936132 /nfs/dbraw/zinc/93/61/32/366936132.db2.gz XQTILRPXAQSFJR-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272628266 367783691 /nfs/dbraw/zinc/78/36/91/367783691.db2.gz MVDAFGKHMWGCSU-SMDDNHRTSA-N 1 1 289.335 1.761 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@@H+]1CCCOCC1 ZINC000286588280 368895387 /nfs/dbraw/zinc/89/53/87/368895387.db2.gz HLZPXBMPEKBBCE-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@H+]1CCCOCC1 ZINC000286588280 368895393 /nfs/dbraw/zinc/89/53/93/368895393.db2.gz HLZPXBMPEKBBCE-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO C[C@@H]1[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000420613695 244280311 /nfs/dbraw/zinc/28/03/11/244280311.db2.gz SMELXBACSPNITA-KOLCDFICSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345574 /nfs/dbraw/zinc/34/55/74/203345574.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345578 /nfs/dbraw/zinc/34/55/78/203345578.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346900 /nfs/dbraw/zinc/34/69/00/203346900.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346903 /nfs/dbraw/zinc/34/69/03/203346903.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 1 1 279.340 1.312 20 5 CDBDMO COCCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299271048 369715474 /nfs/dbraw/zinc/71/54/74/369715474.db2.gz NWZNHQLSMZDDGO-UHFFFAOYSA-N 1 1 296.323 1.930 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766482 370079392 /nfs/dbraw/zinc/07/93/92/370079392.db2.gz SSTLLDADBNSAEB-LDYMZIIASA-N 1 1 281.337 1.435 20 5 CDBDMO C[C@H]([NH3+])[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861971 370425155 /nfs/dbraw/zinc/42/51/55/370425155.db2.gz MRJQEXLEAVDGTE-NWDGAFQWSA-N 1 1 279.340 1.643 20 5 CDBDMO C[C@@H]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000422633546 245144146 /nfs/dbraw/zinc/14/41/46/245144146.db2.gz ILWNRCCFAGBVMT-GRYCIOLGSA-N 1 1 281.360 1.097 20 5 CDBDMO CN1CCNC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971847 371196928 /nfs/dbraw/zinc/19/69/28/371196928.db2.gz WXDVRRHDOKNZFC-YVARQFDVSA-N 1 1 290.367 1.101 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434311 372829547 /nfs/dbraw/zinc/82/95/47/372829547.db2.gz WMWPTXCZXHMLPY-GHMZBOCLSA-N 1 1 294.355 1.346 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192927038 373640716 /nfs/dbraw/zinc/64/07/16/373640716.db2.gz YMJBDJFAANCYIU-PHIMTYICSA-N 1 1 279.344 1.117 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000094659801 374118059 /nfs/dbraw/zinc/11/80/59/374118059.db2.gz UDMWBIKTONBIOU-LLVKDONJSA-N 1 1 265.313 1.646 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000094659801 374118062 /nfs/dbraw/zinc/11/80/62/374118062.db2.gz UDMWBIKTONBIOU-LLVKDONJSA-N 1 1 265.313 1.646 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](C)N ZINC000423462978 374382880 /nfs/dbraw/zinc/38/28/80/374382880.db2.gz KZINGYCMWCTYTC-OUAUKWLOSA-N 1 1 251.330 1.851 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)[C@H](C)[NH3+] ZINC000423462978 374382884 /nfs/dbraw/zinc/38/28/84/374382884.db2.gz KZINGYCMWCTYTC-OUAUKWLOSA-N 1 1 251.330 1.851 20 5 CDBDMO Cc1c([C@H](C)[NH2+]C[C@@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502772 374385647 /nfs/dbraw/zinc/38/56/47/374385647.db2.gz FIWQFWVJZCOYKC-STQMWFEESA-N 1 1 292.383 1.457 20 5 CDBDMO Cc1nn(C)c(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374989337 374493760 /nfs/dbraw/zinc/49/37/60/374493760.db2.gz QAJSWEVWSVENCL-UHFFFAOYSA-N 1 1 293.371 1.701 20 5 CDBDMO Cc1ccnc(NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000070495912 374664005 /nfs/dbraw/zinc/66/40/05/374664005.db2.gz VFRBZVRRVXVVFP-JTQLQIEISA-N 1 1 250.302 1.662 20 5 CDBDMO Cc1c(C(=O)NC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000275256968 374694248 /nfs/dbraw/zinc/69/42/48/374694248.db2.gz QNRXBESEHJWDCL-UHFFFAOYSA-N 1 1 277.324 1.726 20 5 CDBDMO CCOc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000276910625 374758171 /nfs/dbraw/zinc/75/81/71/374758171.db2.gz NIAGZDQUYCJTDL-LBPRGKRZSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000276910625 374758175 /nfs/dbraw/zinc/75/81/75/374758175.db2.gz NIAGZDQUYCJTDL-LBPRGKRZSA-N 1 1 280.324 1.950 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775830 374845121 /nfs/dbraw/zinc/84/51/21/374845121.db2.gz FGLGROIJBBDQMS-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000279956098 374978966 /nfs/dbraw/zinc/97/89/66/374978966.db2.gz IPGUZGQYVXQUHH-UHFFFAOYSA-N 1 1 289.335 1.515 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332657097 375040559 /nfs/dbraw/zinc/04/05/59/375040559.db2.gz ADVSVIXRZLCMCX-VIFPVBQESA-N 1 1 270.358 1.656 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332657097 375040564 /nfs/dbraw/zinc/04/05/64/375040564.db2.gz ADVSVIXRZLCMCX-VIFPVBQESA-N 1 1 270.358 1.656 20 5 CDBDMO CCC(=O)c1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280767354 375019999 /nfs/dbraw/zinc/01/99/99/375019999.db2.gz RJDDCOWKRDGFCA-UHFFFAOYSA-N 1 1 277.324 1.938 20 5 CDBDMO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299445557 375171733 /nfs/dbraw/zinc/17/17/33/375171733.db2.gz NAPBSOXSDNJKNI-SECBINFHSA-N 1 1 295.343 1.088 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000162243756 375299949 /nfs/dbraw/zinc/29/99/49/375299949.db2.gz AZGMQONLYMSKSO-UHFFFAOYSA-N 1 1 294.351 1.611 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633793 375314323 /nfs/dbraw/zinc/31/43/23/375314323.db2.gz MGEOIMVQACVBCS-NEPJUHHUSA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000162599589 375389553 /nfs/dbraw/zinc/38/95/53/375389553.db2.gz TWACMDMGOGWCLY-JTQLQIEISA-N 1 1 250.302 1.662 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1CO ZINC000303409408 375349306 /nfs/dbraw/zinc/34/93/06/375349306.db2.gz VEVUCNOVSWDJJG-SECBINFHSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1CO ZINC000303409408 375349309 /nfs/dbraw/zinc/34/93/09/375349309.db2.gz VEVUCNOVSWDJJG-SECBINFHSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832274 375528782 /nfs/dbraw/zinc/52/87/82/375528782.db2.gz PKNWJLLCEFBBAW-JQWIXIFHSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150280 375559602 /nfs/dbraw/zinc/55/96/02/375559602.db2.gz TWQHZTYIROBAAP-ZWNOBZJWSA-N 1 1 267.329 1.168 20 5 CDBDMO CC[N@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000356517172 375850285 /nfs/dbraw/zinc/85/02/85/375850285.db2.gz UJKYICVUBLJFSR-UHFFFAOYSA-N 1 1 295.339 1.761 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000356517172 375850293 /nfs/dbraw/zinc/85/02/93/375850293.db2.gz UJKYICVUBLJFSR-UHFFFAOYSA-N 1 1 295.339 1.761 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433883 376143772 /nfs/dbraw/zinc/14/37/72/376143772.db2.gz RHSTZSYKLFYDQQ-SNVBAGLBSA-N 1 1 287.323 1.466 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354673 376328199 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/nfs/dbraw/zinc/27/50/66/160275066.db2.gz BFSVPDWVGDUEKV-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374360255 160278054 /nfs/dbraw/zinc/27/80/54/160278054.db2.gz OTVHXKCOLONHHX-LBPRGKRZSA-N 1 1 294.355 1.577 20 5 CDBDMO CO[C@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285657413 196357921 /nfs/dbraw/zinc/35/79/21/196357921.db2.gz LYQXUIXYSLJEBJ-LLVKDONJSA-N 1 1 295.339 1.524 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285657413 196357922 /nfs/dbraw/zinc/35/79/22/196357922.db2.gz LYQXUIXYSLJEBJ-LLVKDONJSA-N 1 1 295.339 1.524 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000040623851 174355617 /nfs/dbraw/zinc/35/56/17/174355617.db2.gz GDYCVCIDWSGHHD-JTQLQIEISA-N 1 1 267.333 1.471 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000045428149 423790566 /nfs/dbraw/zinc/79/05/66/423790566.db2.gz NXCCNHKTQMWGPD-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525103792 270607594 /nfs/dbraw/zinc/60/75/94/270607594.db2.gz QXIMAYQOKBCRQL-UWVGGRQHSA-N 1 1 280.328 1.146 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734098 277158169 /nfs/dbraw/zinc/15/81/69/277158169.db2.gz UKBHLFGGDMJXAS-DGCLKSJQSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001696 278394622 /nfs/dbraw/zinc/39/46/22/278394622.db2.gz QDHZWTQVJXBEBP-SNVBAGLBSA-N 1 1 250.298 1.940 20 5 CDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046602638 279149105 /nfs/dbraw/zinc/14/91/05/279149105.db2.gz ALLYHYBVZHVDBO-UHFFFAOYSA-N 1 1 275.308 1.578 20 5 CDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000046602638 279149106 /nfs/dbraw/zinc/14/91/06/279149106.db2.gz ALLYHYBVZHVDBO-UHFFFAOYSA-N 1 1 275.308 1.578 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)O ZINC000267154045 279237164 /nfs/dbraw/zinc/23/71/64/279237164.db2.gz NMTHUOQSIGDMLN-SNVBAGLBSA-N 1 1 295.339 1.625 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000090548845 279278755 /nfs/dbraw/zinc/27/87/55/279278755.db2.gz DATTZBQHPHPTGZ-UHFFFAOYSA-N 1 1 265.313 1.488 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554856887 290195059 /nfs/dbraw/zinc/19/50/59/290195059.db2.gz CXWDWMHPDRLQBN-SNVBAGLBSA-N 1 1 295.343 1.264 20 5 CDBDMO Cn1c[nH+]cc1CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351140626 316239706 /nfs/dbraw/zinc/23/97/06/316239706.db2.gz BPLVPHIRFHDDCE-UHFFFAOYSA-N 1 1 289.251 1.757 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000583739606 325231386 /nfs/dbraw/zinc/23/13/86/325231386.db2.gz CSRRAHPTQFIKGW-NXEZZACHSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000583739606 325231389 /nfs/dbraw/zinc/23/13/89/325231389.db2.gz CSRRAHPTQFIKGW-NXEZZACHSA-N 1 1 298.318 1.020 20 5 CDBDMO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000163826358 520471996 /nfs/dbraw/zinc/47/19/96/520471996.db2.gz MPBOHPNZIHULJA-CQSZACIVSA-N 1 1 294.351 1.609 20 5 CDBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000163826358 520472003 /nfs/dbraw/zinc/47/20/03/520472003.db2.gz MPBOHPNZIHULJA-CQSZACIVSA-N 1 1 294.351 1.609 20 5 CDBDMO CCC[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303386105 528098597 /nfs/dbraw/zinc/09/85/97/528098597.db2.gz ADARRDJCZLZNSW-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CCC[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000303386105 528098602 /nfs/dbraw/zinc/09/86/02/528098602.db2.gz ADARRDJCZLZNSW-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177857414 535509336 /nfs/dbraw/zinc/50/93/36/535509336.db2.gz HWPGTWQLCRXNAL-YPMHNXCESA-N 1 1 284.360 1.520 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000726182461 574493159 /nfs/dbraw/zinc/49/31/59/574493159.db2.gz FDVIZXVTHBCYNM-UHFFFAOYSA-N 1 1 277.328 1.995 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286830 575564703 /nfs/dbraw/zinc/56/47/03/575564703.db2.gz GQHFMLYZKFCBHN-QWRGUYRKSA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528302 576293388 /nfs/dbraw/zinc/29/33/88/576293388.db2.gz XMKOYOANBBOYAS-QWRGUYRKSA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742198458 576587205 /nfs/dbraw/zinc/58/72/05/576587205.db2.gz LNQFTCALWMVODO-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742198458 576587206 /nfs/dbraw/zinc/58/72/06/576587206.db2.gz LNQFTCALWMVODO-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000744347724 576676244 /nfs/dbraw/zinc/67/62/44/576676244.db2.gz CHLAKWBSZJPFLJ-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO CCC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000753696715 576854117 /nfs/dbraw/zinc/85/41/17/576854117.db2.gz IZSURGZOVOUUPY-UHFFFAOYSA-N 1 1 292.339 1.481 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000804668665 617271360 /nfs/dbraw/zinc/27/13/60/617271360.db2.gz RZOVLGZPQIZAHH-AOOOYVTPSA-N 1 1 292.295 1.501 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)C1 ZINC000812811978 617337022 /nfs/dbraw/zinc/33/70/22/617337022.db2.gz RGTORJALCJCDDG-VIFPVBQESA-N 1 1 268.317 1.477 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461277 617422728 /nfs/dbraw/zinc/42/27/28/617422728.db2.gz VBKPWGSWQKHMHM-JTQLQIEISA-N 1 1 280.328 1.895 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892081189 617468573 /nfs/dbraw/zinc/46/85/73/617468573.db2.gz VRSZLUFLSPRVKV-SNVBAGLBSA-N 1 1 267.333 1.471 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N(C)CC[N@@H+](C)C1CC1 ZINC000893229762 617477687 /nfs/dbraw/zinc/47/76/87/617477687.db2.gz YHHLQLUJSDQVSV-UHFFFAOYSA-N 1 1 280.328 1.529 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1OC ZINC000891805356 617599833 /nfs/dbraw/zinc/59/98/33/617599833.db2.gz IKMUYDWOUIXLER-UHFFFAOYSA-N 1 1 298.343 1.379 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CC=CCC1 ZINC000893613206 617677050 /nfs/dbraw/zinc/67/70/50/617677050.db2.gz YTCLHVMKJBDSGD-UHFFFAOYSA-N 1 1 278.312 1.672 20 5 CDBDMO COc1ccc(OCC[N@@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000934023817 617863218 /nfs/dbraw/zinc/86/32/18/617863218.db2.gz MLXVAORBBKVKOY-SNVBAGLBSA-N 1 1 282.296 1.049 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000934023817 617863221 /nfs/dbraw/zinc/86/32/21/617863221.db2.gz MLXVAORBBKVKOY-SNVBAGLBSA-N 1 1 282.296 1.049 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCCC(C)(C)C1 ZINC000893528816 618038815 /nfs/dbraw/zinc/03/88/15/618038815.db2.gz OKBJQZOXBRWQPQ-UHFFFAOYSA-N 1 1 281.360 1.862 20 5 CDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000894494566 618921934 /nfs/dbraw/zinc/92/19/34/618921934.db2.gz GOVCNSPNLOORJP-NSHDSACASA-N 1 1 298.391 1.012 20 5 CDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000894494566 618921938 /nfs/dbraw/zinc/92/19/38/618921938.db2.gz GOVCNSPNLOORJP-NSHDSACASA-N 1 1 298.391 1.012 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C ZINC000895247323 619494207 /nfs/dbraw/zinc/49/42/07/619494207.db2.gz IMWGPVJESGJHCW-ZYHUDNBSSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247323 619494211 /nfs/dbraw/zinc/49/42/11/619494211.db2.gz IMWGPVJESGJHCW-ZYHUDNBSSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@H+]1C ZINC000895247323 619494214 /nfs/dbraw/zinc/49/42/14/619494214.db2.gz IMWGPVJESGJHCW-ZYHUDNBSSA-N 1 1 279.344 1.036 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895775449 619839147 /nfs/dbraw/zinc/83/91/47/619839147.db2.gz AFBRNBJGIXQXBF-JTQLQIEISA-N 1 1 290.323 1.596 20 5 CDBDMO CCn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000898894023 621938905 /nfs/dbraw/zinc/93/89/05/621938905.db2.gz SQZAFKOAVHCCFZ-UHFFFAOYSA-N 1 1 289.339 1.881 20 5 CDBDMO CCn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000898894023 621938909 /nfs/dbraw/zinc/93/89/09/621938909.db2.gz SQZAFKOAVHCCFZ-UHFFFAOYSA-N 1 1 289.339 1.881 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(Br)ccc1F ZINC000899869650 622494857 /nfs/dbraw/zinc/49/48/57/622494857.db2.gz IAIXBWNGRYTYBH-UHFFFAOYSA-N 1 1 277.093 1.955 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000902612686 625023123 /nfs/dbraw/zinc/02/31/23/625023123.db2.gz MGAQNMRLYYFKFM-UHFFFAOYSA-N 1 1 286.719 1.808 20 5 CDBDMO C[C@H]1C[C@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152489 626638142 /nfs/dbraw/zinc/63/81/42/626638142.db2.gz DXTVJBZLIAKMGU-DZGCQCFKSA-N 1 1 277.368 1.906 20 5 CDBDMO CCOc1ccc2c(c1)[C@H]([NH2+]CC[N+](=O)[O-])CCO2 ZINC000905217727 626697051 /nfs/dbraw/zinc/69/70/51/626697051.db2.gz FNMZBGKMQKASPO-GFCCVEGCSA-N 1 1 266.297 1.775 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000910295340 629004306 /nfs/dbraw/zinc/00/43/06/629004306.db2.gz ZXJOSMWJSGZSNN-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929726200 630712890 /nfs/dbraw/zinc/71/28/90/630712890.db2.gz QGGXSQOBQJYGIG-LLVKDONJSA-N 1 1 252.314 1.835 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCCCO)C2CC2)c1 ZINC000154356836 632188141 /nfs/dbraw/zinc/18/81/41/632188141.db2.gz LQCRLXTZQCNFEM-OAHLLOKOSA-N 1 1 294.351 1.865 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3ccc4cccnc4c3n2)n1 ZINC001157928185 1162562309 /nfs/dbraw/zinc/56/23/09/1162562309.db2.gz FXQPXPGQNGLWDR-UHFFFAOYSA-N 1 1 276.303 1.822 20 5 CDBDMO C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)C[N@H+]1C ZINC001164640917 719215736 /nfs/dbraw/zinc/21/57/36/719215736.db2.gz UDCMXAGPVXAMLG-ZJUUUORDSA-N 1 1 289.339 2.000 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164641713 719216294 /nfs/dbraw/zinc/21/62/94/719216294.db2.gz UWRUNWBGVHKACZ-VHSXEESVSA-N 1 1 280.328 1.065 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164641713 719216296 /nfs/dbraw/zinc/21/62/96/719216296.db2.gz UWRUNWBGVHKACZ-VHSXEESVSA-N 1 1 280.328 1.065 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301658150 719371593 /nfs/dbraw/zinc/37/15/93/719371593.db2.gz LTKOXILMHHCEGG-GHMZBOCLSA-N 1 1 298.730 1.162 20 5 CDBDMO COC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000886179462 790818365 /nfs/dbraw/zinc/81/83/65/790818365.db2.gz WENAAWXBLZHPPY-VXGBXAGGSA-N 1 1 281.312 1.273 20 5 CDBDMO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882625172 791077695 /nfs/dbraw/zinc/07/76/95/791077695.db2.gz CPULVNLJMOIWSM-CHWSQXEVSA-N 1 1 283.372 1.376 20 5 CDBDMO COCCCN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867954248 789912781 /nfs/dbraw/zinc/91/27/81/789912781.db2.gz JLTMGNLTMXZZHW-AWEZNQCLSA-N 1 1 295.339 1.264 20 5 CDBDMO CSCC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238333 789937938 /nfs/dbraw/zinc/93/79/38/789937938.db2.gz PSJMVQGVCFNVQA-LURJTMIESA-N 1 1 284.297 1.991 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000312060671 789981333 /nfs/dbraw/zinc/98/13/33/789981333.db2.gz HXIYYRJXLQKNGK-UHFFFAOYSA-N 1 1 261.285 1.915 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000925310670 790120402 /nfs/dbraw/zinc/12/04/02/790120402.db2.gz OJGHPCQNNJSYFW-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO C[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000848624080 790166675 /nfs/dbraw/zinc/16/66/75/790166675.db2.gz QCTCZRDHXLCUNI-QMMMGPOBSA-N 1 1 292.295 1.858 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000884825203 791186672 /nfs/dbraw/zinc/18/66/72/791186672.db2.gz KYUVKRVHXDRHNG-UHFFFAOYSA-N 1 1 289.282 1.868 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1CO ZINC000886295721 791329146 /nfs/dbraw/zinc/32/91/46/791329146.db2.gz IMJKWHOYMUPTOR-ZYHUDNBSSA-N 1 1 265.313 1.440 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219062 791782369 /nfs/dbraw/zinc/78/23/69/791782369.db2.gz SAJXTCSRUZFZMM-UHFFFAOYSA-N 1 1 284.297 1.442 20 5 CDBDMO Cn1c(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736526 791878152 /nfs/dbraw/zinc/87/81/52/791878152.db2.gz AWXMXDOQTOXZTK-SNVBAGLBSA-N 1 1 295.339 1.963 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794974183 792043927 /nfs/dbraw/zinc/04/39/27/792043927.db2.gz QGVVFSNENAYYMJ-WDNDVIMCSA-N 1 1 290.319 1.488 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000929694824 792048554 /nfs/dbraw/zinc/04/85/54/792048554.db2.gz AZBGOIHMPIQRQO-UTUOFQBUSA-N 1 1 256.346 1.789 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121165 792261752 /nfs/dbraw/zinc/26/17/52/792261752.db2.gz WZDCMYHWJNFSSU-NXEZZACHSA-N 1 1 251.286 1.193 20 5 CDBDMO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776276504 792462467 /nfs/dbraw/zinc/46/24/67/792462467.db2.gz KGIYEYOTDLKYKW-ZDUSSCGKSA-N 1 1 280.324 1.739 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776276504 792462480 /nfs/dbraw/zinc/46/24/80/792462480.db2.gz KGIYEYOTDLKYKW-ZDUSSCGKSA-N 1 1 280.324 1.739 20 5 CDBDMO Cc1cc(Cl)c(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000827237806 792900042 /nfs/dbraw/zinc/90/00/42/792900042.db2.gz AQBYNBJSQOIEJM-UHFFFAOYSA-N 1 1 297.742 1.992 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000886279222 793262184 /nfs/dbraw/zinc/26/21/84/793262184.db2.gz STUOIRKIPIRUQT-CQSZACIVSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000886251530 793816269 /nfs/dbraw/zinc/81/62/69/793816269.db2.gz FQXYCSRVAMTTSL-GFCCVEGCSA-N 1 1 277.324 1.869 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000886251530 793816270 /nfs/dbraw/zinc/81/62/70/793816270.db2.gz FQXYCSRVAMTTSL-GFCCVEGCSA-N 1 1 277.324 1.869 20 5 CDBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000832949746 793855077 /nfs/dbraw/zinc/85/50/77/793855077.db2.gz OBUJXHWPIXWZLP-LBPRGKRZSA-N 1 1 297.399 1.765 20 5 CDBDMO CC(C)(CO)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881987585 794046796 /nfs/dbraw/zinc/04/67/96/794046796.db2.gz WGRHUIGNAQLAMU-UHFFFAOYSA-N 1 1 298.318 1.022 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886636426 794334136 /nfs/dbraw/zinc/33/41/36/794334136.db2.gz NMHFXVHCTUVRQH-TZMCWYRMSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCO)CC1 ZINC000886001551 794384632 /nfs/dbraw/zinc/38/46/32/794384632.db2.gz CLGUMZGYLHNRJS-UHFFFAOYSA-N 1 1 265.313 1.584 20 5 CDBDMO CC1(C)CC(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001022063437 794832811 /nfs/dbraw/zinc/83/28/11/794832811.db2.gz BMMJYLKWLMDJDQ-YVECIDJPSA-N 1 1 295.383 1.325 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825981523 794850307 /nfs/dbraw/zinc/85/03/07/794850307.db2.gz VENUPGWSTDQUQY-LBPRGKRZSA-N 1 1 285.388 1.621 20 5 CDBDMO C[C@H]([NH2+]C1CC1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843222810 794885326 /nfs/dbraw/zinc/88/53/26/794885326.db2.gz KPQRATUGSJNWMC-LURJTMIESA-N 1 1 278.272 1.191 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353318 794962148 /nfs/dbraw/zinc/96/21/48/794962148.db2.gz HUIBXUHEGKJULW-LBPRGKRZSA-N 1 1 252.314 1.840 20 5 CDBDMO COCCC[N@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000873060259 795337066 /nfs/dbraw/zinc/33/70/66/795337066.db2.gz GQOLUEXEAAXWJH-UHFFFAOYSA-N 1 1 295.383 1.961 20 5 CDBDMO COCCC[N@@H+](C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000873060259 795337071 /nfs/dbraw/zinc/33/70/71/795337071.db2.gz GQOLUEXEAAXWJH-UHFFFAOYSA-N 1 1 295.383 1.961 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082909 795359444 /nfs/dbraw/zinc/35/94/44/795359444.db2.gz 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CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839711166 796132734 /nfs/dbraw/zinc/13/27/34/796132734.db2.gz ZYAQRPSAQLQDAA-JHJVBQTASA-N 1 1 283.372 1.136 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530382 796197648 /nfs/dbraw/zinc/19/76/48/796197648.db2.gz ZHKMEFURPFEYRQ-HUUCEWRRSA-N 1 1 294.351 1.987 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]2C1 ZINC000932727287 796333045 /nfs/dbraw/zinc/33/30/45/796333045.db2.gz MZUOUZLSIJPTGO-VXGBXAGGSA-N 1 1 299.371 1.452 20 5 CDBDMO CC(C)(CCc1noc([C@@H]2CCCC[NH2+]2)n1)[N+](=O)[O-] ZINC000823235949 796386069 /nfs/dbraw/zinc/38/60/69/796386069.db2.gz WUVYRVNZOHALJE-VIFPVBQESA-N 1 1 268.317 1.872 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1CO ZINC001173221757 912306007 /nfs/dbraw/zinc/30/60/07/912306007.db2.gz LUHRQYXRGLOQCI-FZMZJTMJSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)N(C)C ZINC001173227023 912321410 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC001169011513 927617599 /nfs/dbraw/zinc/61/75/99/927617599.db2.gz KMRUYXSOIKUPIW-JHJVBQTASA-N 1 1 254.330 1.544 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013992 927620154 /nfs/dbraw/zinc/62/01/54/927620154.db2.gz XLFQQNRUBFDGDV-YTWAJWBKSA-N 1 1 276.283 1.398 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169027878 927632058 /nfs/dbraw/zinc/63/20/58/927632058.db2.gz RKBMBKTZWCEEKM-RBSFLKMASA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001169027878 927632061 /nfs/dbraw/zinc/63/20/61/927632061.db2.gz RKBMBKTZWCEEKM-RBSFLKMASA-N 1 1 281.400 1.992 20 5 CDBDMO CC(C)(C)N1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033618 927640201 /nfs/dbraw/zinc/64/02/01/927640201.db2.gz COEKCIZHRHMYAD-NEPJUHHUSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(C)(C)N1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O 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SUTRDHLPEDMSMH-MJBXVCDLSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001169039736 927650983 /nfs/dbraw/zinc/65/09/83/927650983.db2.gz SUTRDHLPEDMSMH-MJBXVCDLSA-N 1 1 267.373 1.602 20 5 CDBDMO CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041630 927652780 /nfs/dbraw/zinc/65/27/80/927652780.db2.gz BSDNSWHOFIBNET-FRRDWIJNSA-N 1 1 256.346 1.789 20 5 CDBDMO CCOC(=O)C[N@@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041038 927652971 /nfs/dbraw/zinc/65/29/71/927652971.db2.gz AOCWTCMIXCIBMQ-WDEREUQCSA-N 1 1 258.318 1.317 20 5 CDBDMO Cn1ncc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169043816 927657635 /nfs/dbraw/zinc/65/76/35/927657635.db2.gz HVZAVBKJWSGWON-JQWIXIFHSA-N 1 1 264.329 1.224 20 5 CDBDMO CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025867 927662951 /nfs/dbraw/zinc/66/29/51/927662951.db2.gz ZNZDCFASTFRLGW-GUTXKFCHSA-N 1 1 295.383 1.519 20 5 CDBDMO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055886 927672957 /nfs/dbraw/zinc/67/29/57/927672957.db2.gz QYRUFNPYUUNCCS-WDEREUQCSA-N 1 1 265.313 1.787 20 5 CDBDMO Cc1nc2c(o1)CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055886 927672964 /nfs/dbraw/zinc/67/29/64/927672964.db2.gz QYRUFNPYUUNCCS-WDEREUQCSA-N 1 1 265.313 1.787 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001156648523 928879658 /nfs/dbraw/zinc/87/96/58/928879658.db2.gz QRBGREIDATXFMS-QMMMGPOBSA-N 1 1 256.693 1.707 20 5 CDBDMO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001115890297 937423752 /nfs/dbraw/zinc/42/37/52/937423752.db2.gz CJRJBKPIUCECJC-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO COc1c(F)cc(N[C@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900123 930701017 /nfs/dbraw/zinc/70/10/17/930701017.db2.gz IOLRTVUBERQSBY-JTQLQIEISA-N 1 1 272.280 1.178 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170901106 930702448 /nfs/dbraw/zinc/70/24/48/930702448.db2.gz WKUTVHFLJRZZFI-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO CCc1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001154615288 937566382 /nfs/dbraw/zinc/56/63/82/937566382.db2.gz DRUFYRQUCJBMCF-UHFFFAOYSA-N 1 1 288.307 1.784 20 5 CDBDMO CCOc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1OC ZINC001119741345 937752952 /nfs/dbraw/zinc/75/29/52/937752952.db2.gz UDNMMNBMVMIBFO-UHFFFAOYSA-N 1 1 268.313 1.802 20 5 CDBDMO CCOc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1OC ZINC001119741345 937752953 /nfs/dbraw/zinc/75/29/53/937752953.db2.gz UDNMMNBMVMIBFO-UHFFFAOYSA-N 1 1 268.313 1.802 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CC2)cc1F ZINC000688442780 934602141 /nfs/dbraw/zinc/60/21/41/934602141.db2.gz ZORFTWGWRCESNY-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO COC(C)(C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866069 934754805 /nfs/dbraw/zinc/75/48/05/934754805.db2.gz BDFAVDNMMNKUCR-UHFFFAOYSA-N 1 1 256.306 1.414 20 5 CDBDMO COC(C)(C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779866069 934754807 /nfs/dbraw/zinc/75/48/07/934754807.db2.gz BDFAVDNMMNKUCR-UHFFFAOYSA-N 1 1 256.306 1.414 20 5 CDBDMO Cc1c(C)c(N2CC[N@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158435058 938626019 /nfs/dbraw/zinc/62/60/19/938626019.db2.gz VXADNPISQFREQS-LLVKDONJSA-N 1 1 262.313 1.501 20 5 CDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001160473111 938789993 /nfs/dbraw/zinc/78/99/93/938789993.db2.gz UQGCYIAZIOGWNL-RTCCRHLQSA-N 1 1 291.355 1.999 20 5 CDBDMO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccncc12 ZINC001160944408 938847202 /nfs/dbraw/zinc/84/72/02/938847202.db2.gz IYLXSLCBCZWDRW-UHFFFAOYSA-N 1 1 299.290 1.068 20 5 CDBDMO COc1ccc(COC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223515035 941683489 /nfs/dbraw/zinc/68/34/89/941683489.db2.gz COHAUKKJYFDTIS-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc(COC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223515035 941683492 /nfs/dbraw/zinc/68/34/92/941683492.db2.gz COHAUKKJYFDTIS-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cccc(COC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223810801 941700596 /nfs/dbraw/zinc/70/05/96/941700596.db2.gz HFKGJDQPQWFCFZ-LBPRGKRZSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cccc(COC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223810801 941700599 /nfs/dbraw/zinc/70/05/99/941700599.db2.gz HFKGJDQPQWFCFZ-LBPRGKRZSA-N 1 1 296.323 1.451 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593455 941886065 /nfs/dbraw/zinc/88/60/65/941886065.db2.gz QVUIMXIGWWPGEN-SNVBAGLBSA-N 1 1 251.286 1.851 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906756 941927556 /nfs/dbraw/zinc/92/75/56/941927556.db2.gz DWDAAEWEMJESRM-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227062190 942124283 /nfs/dbraw/zinc/12/42/83/942124283.db2.gz ILBXNZLHYXACON-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744233 942216766 /nfs/dbraw/zinc/21/67/66/942216766.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 1 1 276.296 1.944 20 5 CDBDMO Cc1nc2[nH]cnc2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001229438878 942474137 /nfs/dbraw/zinc/47/41/37/942474137.db2.gz YSEHJLFBQVGIFH-MRVPVSSYSA-N 1 1 250.326 1.135 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccnc([N+](=O)[O-])c1)C2 ZINC001233855857 943673182 /nfs/dbraw/zinc/67/31/82/943673182.db2.gz WMAXUEDGYMENFF-PEGIJTEDSA-N 1 1 263.297 1.994 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001234877887 943964347 /nfs/dbraw/zinc/96/43/47/943964347.db2.gz DMYKNHYRHYCLTR-SNVBAGLBSA-N 1 1 281.312 1.862 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1[nH]c(=O)nc1C[NH3+] ZINC001254541015 947518743 /nfs/dbraw/zinc/51/87/43/947518743.db2.gz YBRXMAOAOUGMDG-QMMMGPOBSA-N 1 1 277.284 1.154 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](O)[C@H](F)C1)C2 ZINC001254597294 947545542 /nfs/dbraw/zinc/54/55/42/947545542.db2.gz GXBRVMSCHQUVGF-BFHYXJOUSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](O)[C@H](F)C1)C2 ZINC001254597294 947545550 /nfs/dbraw/zinc/54/55/50/947545550.db2.gz GXBRVMSCHQUVGF-BFHYXJOUSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001254594581 947545957 /nfs/dbraw/zinc/54/59/57/947545957.db2.gz RSFWVMCOHTVFGX-KBPBESRZSA-N 1 1 262.309 1.519 20 5 CDBDMO C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001254602059 947551938 /nfs/dbraw/zinc/55/19/38/947551938.db2.gz ACXCERDNBLHWOS-IAQYHMDHSA-N 1 1 275.352 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602059 947551946 /nfs/dbraw/zinc/55/19/46/947551946.db2.gz ACXCERDNBLHWOS-IAQYHMDHSA-N 1 1 275.352 1.698 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602059 947551956 /nfs/dbraw/zinc/55/19/56/947551956.db2.gz ACXCERDNBLHWOS-IAQYHMDHSA-N 1 1 275.352 1.698 20 5 CDBDMO CC(C)C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)Nc1nccs1 ZINC001335413027 959783186 /nfs/dbraw/zinc/78/31/86/959783186.db2.gz LFYINSJGPGRZCK-SECBINFHSA-N 1 1 286.357 1.363 20 5 CDBDMO C[C@@H](NCC[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776691 961417231 /nfs/dbraw/zinc/41/72/31/961417231.db2.gz CXBBBMYJWAEYST-UKRRQHHQSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@@H]1CC[N@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311073 967885520 /nfs/dbraw/zinc/88/55/20/967885520.db2.gz NOXWJVYAYSAMDB-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311073 967885530 /nfs/dbraw/zinc/88/55/30/967885530.db2.gz NOXWJVYAYSAMDB-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601031009 342460109 /nfs/dbraw/zinc/46/01/09/342460109.db2.gz CONZLCTUPKPIKN-UHFFFAOYSA-N 1 1 299.302 1.042 20 5 CDBDMO CN1CC[NH+](CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601100756 342464105 /nfs/dbraw/zinc/46/41/05/342464105.db2.gz GOMWELGQUFZLQI-UHFFFAOYSA-N 1 1 284.385 1.706 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000601189262 342488263 /nfs/dbraw/zinc/48/82/63/342488263.db2.gz PIFDKKNERMJLLF-SECBINFHSA-N 1 1 270.358 1.972 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000600178992 341983611 /nfs/dbraw/zinc/98/36/11/341983611.db2.gz POORIGFZROMENC-CYBMUJFWSA-N 1 1 291.351 1.956 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000124426215 187137472 /nfs/dbraw/zinc/13/74/72/187137472.db2.gz DCGYGGWCPIWSPF-UHFFFAOYSA-N 1 1 294.355 1.388 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590580327 342577471 /nfs/dbraw/zinc/57/74/71/342577471.db2.gz AIGSJMPXMAWLDO-ZYHUDNBSSA-N 1 1 291.355 1.493 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000590722032 342583865 /nfs/dbraw/zinc/58/38/65/342583865.db2.gz JOXPWJDYTYZTMO-AOOOYVTPSA-N 1 1 283.353 1.931 20 5 CDBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000592832157 342741672 /nfs/dbraw/zinc/74/16/72/342741672.db2.gz RWIWBWYUCOECPJ-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000593108735 342769089 /nfs/dbraw/zinc/76/90/89/342769089.db2.gz ZJXBGFRTYPCQDO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)CCO ZINC000593108735 342769091 /nfs/dbraw/zinc/76/90/91/342769091.db2.gz ZJXBGFRTYPCQDO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593108968 342769189 /nfs/dbraw/zinc/76/91/89/342769189.db2.gz FGKZMNXWCWXNNV-JTQLQIEISA-N 1 1 296.323 1.664 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CCn1cc[nH+]c1C1CC1 ZINC000600609961 342237979 /nfs/dbraw/zinc/23/79/79/342237979.db2.gz ACEBIXVXMLWZRU-UHFFFAOYSA-N 1 1 274.280 1.531 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000595026915 342996750 /nfs/dbraw/zinc/99/67/50/342996750.db2.gz OKQWUFAISVANGX-VHSXEESVSA-N 1 1 295.339 1.731 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311302 343032831 /nfs/dbraw/zinc/03/28/31/343032831.db2.gz INYWKSDBYAAYDE-JTQLQIEISA-N 1 1 269.301 1.750 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311302 343032832 /nfs/dbraw/zinc/03/28/32/343032832.db2.gz INYWKSDBYAAYDE-JTQLQIEISA-N 1 1 269.301 1.750 20 5 CDBDMO COCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595312063 343033251 /nfs/dbraw/zinc/03/32/51/343033251.db2.gz IMMFWAILVJLRNO-UHFFFAOYSA-N 1 1 269.301 1.750 20 5 CDBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716508 342312512 /nfs/dbraw/zinc/31/25/12/342312512.db2.gz MANFAGLJZYOULL-QWHCGFSZSA-N 1 1 296.371 1.663 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1[N+](=O)[O-] ZINC000595388915 343053104 /nfs/dbraw/zinc/05/31/04/343053104.db2.gz YSRAOOQFGYAOGK-JTQLQIEISA-N 1 1 269.301 1.627 20 5 CDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596093032 343234446 /nfs/dbraw/zinc/23/44/46/343234446.db2.gz ZTZBGOLGHVPHAH-SECBINFHSA-N 1 1 290.323 1.342 20 5 CDBDMO O=c1[nH]ccc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596092935 343234523 /nfs/dbraw/zinc/23/45/23/343234523.db2.gz YEMGHVDNYDNVID-QMMMGPOBSA-N 1 1 264.285 1.344 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000596155348 343247241 /nfs/dbraw/zinc/24/72/41/343247241.db2.gz IHFPSBBAEXXSQH-DTWKUNHWSA-N 1 1 277.328 1.031 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081362900 342367467 /nfs/dbraw/zinc/36/74/67/342367467.db2.gz HDGJFUIGNNIGJH-LLVKDONJSA-N 1 1 295.339 1.992 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000596267942 343280763 /nfs/dbraw/zinc/28/07/63/343280763.db2.gz AIVBBLLJVQCAJY-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO CNC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140787404 342445634 /nfs/dbraw/zinc/44/56/34/342445634.db2.gz PMTGVDBNZQJHNI-UHFFFAOYSA-N 1 1 279.340 1.941 20 5 CDBDMO CC(C)[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598573793 343833567 /nfs/dbraw/zinc/83/35/67/343833567.db2.gz OSAJPPKAMKSHOT-ZDUSSCGKSA-N 1 1 293.323 1.370 20 5 CDBDMO CCn1nncc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000598985733 343934783 /nfs/dbraw/zinc/93/47/83/343934783.db2.gz HWTRGXHWEWGFPE-UHFFFAOYSA-N 1 1 275.312 1.804 20 5 CDBDMO CCn1nncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598986391 343934818 /nfs/dbraw/zinc/93/48/18/343934818.db2.gz NXAMJKPSYFXSSX-UHFFFAOYSA-N 1 1 261.285 1.496 20 5 CDBDMO Cc1cc(N2CC[N@@H+](C)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000601979789 344306093 /nfs/dbraw/zinc/30/60/93/344306093.db2.gz MQVUMRHIGBTULD-JTQLQIEISA-N 1 1 283.303 1.155 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000601979789 344306095 /nfs/dbraw/zinc/30/60/95/344306095.db2.gz MQVUMRHIGBTULD-JTQLQIEISA-N 1 1 283.303 1.155 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000602750148 344579332 /nfs/dbraw/zinc/57/93/32/344579332.db2.gz DHAOCRWGUCBUSH-GFCCVEGCSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1ccc(C[N@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000602750148 344579334 /nfs/dbraw/zinc/57/93/34/344579334.db2.gz DHAOCRWGUCBUSH-GFCCVEGCSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000602796016 344586298 /nfs/dbraw/zinc/58/62/98/344586298.db2.gz JFAZRNFABIJFIQ-LLVKDONJSA-N 1 1 282.344 1.335 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000602833862 344615361 /nfs/dbraw/zinc/61/53/61/344615361.db2.gz WRBIALVIYAZQJV-LLVKDONJSA-N 1 1 268.317 1.211 20 5 CDBDMO CC(C)(O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159620273 362470779 /nfs/dbraw/zinc/47/07/79/362470779.db2.gz NVKRXJBFLDWDGA-UHFFFAOYSA-N 1 1 265.313 1.509 20 5 CDBDMO CC(C)(O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159620273 362470782 /nfs/dbraw/zinc/47/07/82/362470782.db2.gz NVKRXJBFLDWDGA-UHFFFAOYSA-N 1 1 265.313 1.509 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000602882075 344633491 /nfs/dbraw/zinc/63/34/91/344633491.db2.gz IHDIHTUTYIMJNR-DGCLKSJQSA-N 1 1 296.371 1.583 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000602912345 344646349 /nfs/dbraw/zinc/64/63/49/344646349.db2.gz JIDPKEOPRRAEAH-GFCCVEGCSA-N 1 1 296.371 1.583 20 5 CDBDMO C[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000604476307 344894113 /nfs/dbraw/zinc/89/41/13/344894113.db2.gz MHTTVNORKKDPML-UHFFFAOYSA-N 1 1 278.312 1.052 20 5 CDBDMO C[N@H+](CCc1ccccc1O)CCn1cc([N+](=O)[O-])cn1 ZINC000344165925 362547606 /nfs/dbraw/zinc/54/76/06/362547606.db2.gz LWYVWBPRTCGYNF-UHFFFAOYSA-N 1 1 290.323 1.671 20 5 CDBDMO C[C@H]([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335769 346255210 /nfs/dbraw/zinc/25/52/10/346255210.db2.gz GZNHPLGTOXPUEF-CMPLNLGQSA-N 1 1 284.360 1.519 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000610807978 346444250 /nfs/dbraw/zinc/44/42/50/346444250.db2.gz CTXAOSALTMJVAI-VXGBXAGGSA-N 1 1 276.340 1.910 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611299102 346740763 /nfs/dbraw/zinc/74/07/63/346740763.db2.gz OAHJPMUUPFPWNU-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000058847791 348872101 /nfs/dbraw/zinc/87/21/01/348872101.db2.gz YXVUHMZLRJLYJS-UHFFFAOYSA-N 1 1 277.324 1.763 20 5 CDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000067413302 349024277 /nfs/dbraw/zinc/02/42/77/349024277.db2.gz NRLKXZNTFWPHBK-CQSZACIVSA-N 1 1 291.351 1.943 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000074325291 349212366 /nfs/dbraw/zinc/21/23/66/349212366.db2.gz GIHHAZIEADLKJC-LLVKDONJSA-N 1 1 290.279 1.211 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000074325291 349212368 /nfs/dbraw/zinc/21/23/68/349212368.db2.gz GIHHAZIEADLKJC-LLVKDONJSA-N 1 1 290.279 1.211 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3cnnc3C2)cc1 ZINC000105880132 186083021 /nfs/dbraw/zinc/08/30/21/186083021.db2.gz RWMLTTDYQKBIMD-UHFFFAOYSA-N 1 1 273.296 1.245 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3cnnc3C2)cc1 ZINC000105880132 186083023 /nfs/dbraw/zinc/08/30/23/186083023.db2.gz RWMLTTDYQKBIMD-UHFFFAOYSA-N 1 1 273.296 1.245 20 5 CDBDMO CC(C)C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000157688306 188332352 /nfs/dbraw/zinc/33/23/52/188332352.db2.gz FORBCVAWNXXTGJ-UHFFFAOYSA-N 1 1 279.340 1.799 20 5 CDBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000157688306 188332354 /nfs/dbraw/zinc/33/23/54/188332354.db2.gz FORBCVAWNXXTGJ-UHFFFAOYSA-N 1 1 279.340 1.799 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559043162 356082472 /nfs/dbraw/zinc/08/24/72/356082472.db2.gz GZMJTMSUMWMYQF-JTQLQIEISA-N 1 1 293.327 1.065 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273590429 192219839 /nfs/dbraw/zinc/21/98/39/192219839.db2.gz HETRMTDNJNEVMR-JTQLQIEISA-N 1 1 265.317 1.529 20 5 CDBDMO CSCC[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176249320 366298586 /nfs/dbraw/zinc/29/85/86/366298586.db2.gz BXWIWWJVPZGBFJ-JTQLQIEISA-N 1 1 272.374 1.865 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000193410667 358293049 /nfs/dbraw/zinc/29/30/49/358293049.db2.gz ONRJGJRNTCENKB-MNOVXSKESA-N 1 1 294.355 1.698 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000566970634 358612538 /nfs/dbraw/zinc/61/25/38/358612538.db2.gz CWKDTROTJXRULN-CYBMUJFWSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000566970634 358612541 /nfs/dbraw/zinc/61/25/41/358612541.db2.gz CWKDTROTJXRULN-CYBMUJFWSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2CCO)n1 ZINC000176237997 358745702 /nfs/dbraw/zinc/74/57/02/358745702.db2.gz BHSQMUVAUHMSCE-NSHDSACASA-N 1 1 268.317 1.028 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299385464 358761592 /nfs/dbraw/zinc/76/15/92/358761592.db2.gz PJGUMKJHLMJWJP-NSHDSACASA-N 1 1 294.355 1.773 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291243074 358899997 /nfs/dbraw/zinc/89/99/97/358899997.db2.gz NGOLCRZBJKZPHM-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291243074 358900000 /nfs/dbraw/zinc/90/00/00/358900000.db2.gz NGOLCRZBJKZPHM-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO Cc1nc(NC[C@@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296990143 200055283 /nfs/dbraw/zinc/05/52/83/200055283.db2.gz FGFULOZPPKYKPE-SNVBAGLBSA-N 1 1 295.343 1.073 20 5 CDBDMO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000408468873 359815733 /nfs/dbraw/zinc/81/57/33/359815733.db2.gz RFEFOVUHYCGLLI-RISCZKNCSA-N 1 1 289.335 1.679 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000297672983 200259190 /nfs/dbraw/zinc/25/91/90/200259190.db2.gz GDLAHDNHZCRQMT-SECBINFHSA-N 1 1 279.300 1.063 20 5 CDBDMO Cc1cc(C(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])c1 ZINC000162595359 360459040 /nfs/dbraw/zinc/45/90/40/360459040.db2.gz JPOKAHSEGWMBCS-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179409005 189192623 /nfs/dbraw/zinc/19/26/23/189192623.db2.gz FUALRHPBJBXBKU-UHFFFAOYSA-N 1 1 265.313 1.471 20 5 CDBDMO C[NH+](C)CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000160332087 361541961 /nfs/dbraw/zinc/54/19/61/361541961.db2.gz PWQPPKUVPYMYSV-SNVBAGLBSA-N 1 1 297.359 1.414 20 5 CDBDMO C[NH+](C)CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)C ZINC000160332217 361542517 /nfs/dbraw/zinc/54/25/17/361542517.db2.gz PWQPPKUVPYMYSV-JTQLQIEISA-N 1 1 297.359 1.414 20 5 CDBDMO O=[N+]([O-])c1cnc(NCCc2cn3c([nH+]2)CCCC3)nc1 ZINC000302091804 201340206 /nfs/dbraw/zinc/34/02/06/201340206.db2.gz HHMFNWGMORLWNL-UHFFFAOYSA-N 1 1 288.311 1.572 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CNC1 ZINC000582295216 364082491 /nfs/dbraw/zinc/08/24/91/364082491.db2.gz GQBVBRAIBZYDBN-SMDDNHRTSA-N 1 1 275.352 1.867 20 5 CDBDMO Cc1ccnc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280326337 364049616 /nfs/dbraw/zinc/04/96/16/364049616.db2.gz UHIDNAUNBAZFSA-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200661 364444418 /nfs/dbraw/zinc/44/44/18/364444418.db2.gz OOAICUYVPGGOOW-ZWNOBZJWSA-N 1 1 289.335 1.807 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cnn(C)c1 ZINC000174839366 364581494 /nfs/dbraw/zinc/58/14/94/364581494.db2.gz FDPBDFWSMUSYDQ-UHFFFAOYSA-N 1 1 278.316 1.047 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000110490124 365051263 /nfs/dbraw/zinc/05/12/63/365051263.db2.gz LBJPOVMQVYBFOY-MNOVXSKESA-N 1 1 278.312 1.265 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871996 366941417 /nfs/dbraw/zinc/94/14/17/366941417.db2.gz JIBJUMBNILWFCC-WCQYABFASA-N 1 1 250.298 1.798 20 5 CDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270714696 366925810 /nfs/dbraw/zinc/92/58/10/366925810.db2.gz JDWDDBVXRVARTH-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270741564 366927104 /nfs/dbraw/zinc/92/71/04/366927104.db2.gz NFUAWFXUXLGDCM-VHSXEESVSA-N 1 1 278.312 1.398 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270741564 366927108 /nfs/dbraw/zinc/92/71/08/366927108.db2.gz NFUAWFXUXLGDCM-VHSXEESVSA-N 1 1 278.312 1.398 20 5 CDBDMO Cc1c(NC(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000414705192 241340369 /nfs/dbraw/zinc/34/03/69/241340369.db2.gz NQHJITAOVIDPOE-UHFFFAOYSA-N 1 1 288.254 1.619 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623022 367784298 /nfs/dbraw/zinc/78/42/98/367784298.db2.gz VABKVNGNVWJDCY-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374430 244168478 /nfs/dbraw/zinc/16/84/78/244168478.db2.gz RZGUHYHJYNDOOJ-LALPHHSUSA-N 1 1 293.367 1.950 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578043 244264616 /nfs/dbraw/zinc/26/46/16/244264616.db2.gz CEFVDJKJKBIQMA-JTQLQIEISA-N 1 1 292.339 1.590 20 5 CDBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000351823098 369301619 /nfs/dbraw/zinc/30/16/19/369301619.db2.gz LDGXONBJTDDOJL-KWQFWETISA-N 1 1 277.280 1.549 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000351823098 369301623 /nfs/dbraw/zinc/30/16/23/369301623.db2.gz LDGXONBJTDDOJL-KWQFWETISA-N 1 1 277.280 1.549 20 5 CDBDMO CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889417 203359184 /nfs/dbraw/zinc/35/91/84/203359184.db2.gz VEQMYJRFEGSETG-HUUCEWRRSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889417 203359189 /nfs/dbraw/zinc/35/91/89/203359189.db2.gz VEQMYJRFEGSETG-HUUCEWRRSA-N 1 1 293.367 1.702 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000299485046 369774054 /nfs/dbraw/zinc/77/40/54/369774054.db2.gz DOISPNOOTNCSKF-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO Cc1cc(=O)n(C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187694718 373222164 /nfs/dbraw/zinc/22/21/64/373222164.db2.gz WCNHXMDMFJKIOL-JTQLQIEISA-N 1 1 251.286 1.017 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014521 374068551 /nfs/dbraw/zinc/06/85/51/374068551.db2.gz VJBTVFZJERLWKW-GZMMTYOYSA-N 1 1 263.301 1.279 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)c(F)c1 ZINC000310917805 374237939 /nfs/dbraw/zinc/23/79/39/374237939.db2.gz GQRWPDPUBJIWQX-SECBINFHSA-N 1 1 254.261 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(F)c1 ZINC000310917805 374237945 /nfs/dbraw/zinc/23/79/45/374237945.db2.gz GQRWPDPUBJIWQX-SECBINFHSA-N 1 1 254.261 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368636680 374322122 /nfs/dbraw/zinc/32/21/22/374322122.db2.gz VVQGYNMGBOADOE-WDNDVIMCSA-N 1 1 278.308 1.144 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c[nH]cn3)CC2)n1 ZINC000369684569 374361836 /nfs/dbraw/zinc/36/18/36/374361836.db2.gz VUTGKXOMMOSAMC-UHFFFAOYSA-N 1 1 276.300 1.352 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]C[C@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502769 374384797 /nfs/dbraw/zinc/38/47/97/374384797.db2.gz FIWQFWVJZCOYKC-CHWSQXEVSA-N 1 1 292.383 1.457 20 5 CDBDMO CN(Cc1c([N+](=O)[O-])ncn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375750467 374512517 /nfs/dbraw/zinc/51/25/17/374512517.db2.gz MKGKIFJLRWDMEQ-FOSCPWQOSA-N 1 1 293.371 1.385 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081519357 374513830 /nfs/dbraw/zinc/51/38/30/374513830.db2.gz RUDKTTYJJYOZCX-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603661 374612697 /nfs/dbraw/zinc/61/26/97/374612697.db2.gz HMMILZIZGPDLIO-NSHDSACASA-N 1 1 293.323 1.171 20 5 CDBDMO Cc1ccnc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000070496205 374664109 /nfs/dbraw/zinc/66/41/09/374664109.db2.gz GWXFHDOVXSQDLN-SNVBAGLBSA-N 1 1 262.313 1.947 20 5 CDBDMO CC[NH+](CC)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000276904097 374759120 /nfs/dbraw/zinc/75/91/20/374759120.db2.gz JMAXCAXNAUWQLX-UHFFFAOYSA-N 1 1 291.311 1.805 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143489 374983969 /nfs/dbraw/zinc/98/39/69/374983969.db2.gz REFVGCFWBYSEOR-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280300773 374990658 /nfs/dbraw/zinc/99/06/58/374990658.db2.gz OXVPZNHJUROANI-IUODEOHRSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280300773 374990661 /nfs/dbraw/zinc/99/06/61/374990661.db2.gz OXVPZNHJUROANI-IUODEOHRSA-N 1 1 292.335 1.975 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977806 375146139 /nfs/dbraw/zinc/14/61/39/375146139.db2.gz FFENUJDIARGOHP-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299616701 375188057 /nfs/dbraw/zinc/18/80/57/375188057.db2.gz IOSCDQNASXWSNF-JTQLQIEISA-N 1 1 263.297 1.875 20 5 CDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299616701 375188062 /nfs/dbraw/zinc/18/80/62/375188062.db2.gz IOSCDQNASXWSNF-JTQLQIEISA-N 1 1 263.297 1.875 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353484850 375616307 /nfs/dbraw/zinc/61/63/07/375616307.db2.gz RMCCDWHGBRHOFX-UHFFFAOYSA-N 1 1 266.297 1.429 20 5 CDBDMO O=CN1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000294117775 375684254 /nfs/dbraw/zinc/68/42/54/375684254.db2.gz DIURQRFOBGFNBQ-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO O=CN1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000294117775 375684263 /nfs/dbraw/zinc/68/42/63/375684263.db2.gz DIURQRFOBGFNBQ-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO C[C@@H](O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728718 375745810 /nfs/dbraw/zinc/74/58/10/375745810.db2.gz IHLWJUSZDZHNPE-VXGBXAGGSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000355198256 375782143 /nfs/dbraw/zinc/78/21/43/375782143.db2.gz NJPOSSLTHNOIMW-RYWCDNDXSA-N 1 1 275.308 1.428 20 5 CDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000355198256 375782146 /nfs/dbraw/zinc/78/21/46/375782146.db2.gz NJPOSSLTHNOIMW-RYWCDNDXSA-N 1 1 275.308 1.428 20 5 CDBDMO C[NH+]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881734 /nfs/dbraw/zinc/88/17/34/375881734.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 1 1 275.352 1.631 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000357433089 375908682 /nfs/dbraw/zinc/90/86/82/375908682.db2.gz CPWRDUMRRPUSOH-QWHCGFSZSA-N 1 1 294.355 1.273 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000358303164 375959495 /nfs/dbraw/zinc/95/94/95/375959495.db2.gz KBTCMNTWQMQVDS-NSHDSACASA-N 1 1 286.719 1.122 20 5 CDBDMO C[N@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000172620963 377655287 /nfs/dbraw/zinc/65/52/87/377655287.db2.gz LUZBIQXRHSHLME-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000172620963 377655295 /nfs/dbraw/zinc/65/52/95/377655295.db2.gz LUZBIQXRHSHLME-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)[N@H+]1C ZINC000141960261 377759206 /nfs/dbraw/zinc/75/92/06/377759206.db2.gz ZJMDLUPJKKMPSL-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C)[N@@H+]1C ZINC000141960261 377759212 /nfs/dbraw/zinc/75/92/12/377759212.db2.gz ZJMDLUPJKKMPSL-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC000266915715 378666843 /nfs/dbraw/zinc/66/68/43/378666843.db2.gz KLFFTJLRJWFWEN-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)C1 ZINC000266915715 378666848 /nfs/dbraw/zinc/66/68/48/378666848.db2.gz KLFFTJLRJWFWEN-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447915923 250446837 /nfs/dbraw/zinc/44/68/37/250446837.db2.gz NSXSHEDJYMHZRH-DGCLKSJQSA-N 1 1 284.287 1.363 20 5 CDBDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246650026 379623828 /nfs/dbraw/zinc/62/38/28/379623828.db2.gz VEQCZQZQOLQFJT-GXTWGEPZSA-N 1 1 296.371 1.664 20 5 CDBDMO C[C@@H](O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570521 251344005 /nfs/dbraw/zinc/34/40/05/251344005.db2.gz PFQWZQOHYJRNQK-MNOVXSKESA-N 1 1 280.328 1.247 20 5 CDBDMO C[N@@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491492266 253084823 /nfs/dbraw/zinc/08/48/23/253084823.db2.gz LMIYRPSPYFDRJZ-YVMONPNESA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491577327 253091932 /nfs/dbraw/zinc/09/19/32/253091932.db2.gz VMGQIDZVJHAZNT-QDZRJHCZSA-N 1 1 289.335 1.771 20 5 CDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]C2)n1 ZINC000423357956 285169570 /nfs/dbraw/zinc/16/95/70/285169570.db2.gz MRLYJRRUBZJRKM-UPJWGTAASA-N 1 1 293.371 1.617 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000273193335 285172370 /nfs/dbraw/zinc/17/23/70/285172370.db2.gz QDYRJVRJWJWQRO-UHFFFAOYSA-N 1 1 274.284 1.492 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288282825 197043570 /nfs/dbraw/zinc/04/35/70/197043570.db2.gz GKQYKFHIDAZIBS-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106885171 390559234 /nfs/dbraw/zinc/55/92/34/390559234.db2.gz KWEIWVUMJUWFLN-ZDUSSCGKSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC000451080739 390595827 /nfs/dbraw/zinc/59/58/27/390595827.db2.gz BWFPMHIPRWBXQX-LBPRGKRZSA-N 1 1 293.371 1.207 20 5 CDBDMO Cc1c(C[N@@H+](C)C(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000451138445 390602263 /nfs/dbraw/zinc/60/22/63/390602263.db2.gz LKAMAFMFMVBTCC-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO Cc1c(C[N@H+](C)C(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000451138445 390602267 /nfs/dbraw/zinc/60/22/67/390602267.db2.gz LKAMAFMFMVBTCC-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344446291 390990757 /nfs/dbraw/zinc/99/07/57/390990757.db2.gz ZQHZDLLQWJTMCY-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065328 391103643 /nfs/dbraw/zinc/10/36/43/391103643.db2.gz KQIOORJPTGXXNM-ZDUSSCGKSA-N 1 1 296.327 1.066 20 5 CDBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000438533036 391463767 /nfs/dbraw/zinc/46/37/67/391463767.db2.gz FQKDJFBMXQZVSH-UHFFFAOYSA-N 1 1 293.323 1.515 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190891845 130157396 /nfs/dbraw/zinc/15/73/96/130157396.db2.gz AKMZNZLODATKNV-NEPJUHHUSA-N 1 1 280.324 1.534 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](C)O ZINC000245799869 131089846 /nfs/dbraw/zinc/08/98/46/131089846.db2.gz PETHYBJMNMLEFF-VHSXEESVSA-N 1 1 281.312 1.234 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251857594 131131394 /nfs/dbraw/zinc/13/13/94/131131394.db2.gz SDHUTOIPUUVMMX-BXUZGUMPSA-N 1 1 292.335 1.878 20 5 CDBDMO CC(C)[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000459485906 392444291 /nfs/dbraw/zinc/44/42/91/392444291.db2.gz RKLIDHDHYZPXMQ-CYBMUJFWSA-N 1 1 283.303 1.724 20 5 CDBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000421001946 392926213 /nfs/dbraw/zinc/92/62/13/392926213.db2.gz QGIOAIVPSQFZAJ-CQSZACIVSA-N 1 1 282.340 1.201 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450009 132010845 /nfs/dbraw/zinc/01/08/45/132010845.db2.gz FOVSRRYIZOWUFB-LLVKDONJSA-N 1 1 280.328 1.431 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]2C1 ZINC000278787662 393143095 /nfs/dbraw/zinc/14/30/95/393143095.db2.gz PXWHRPYBIBWLRP-PHIMTYICSA-N 1 1 288.351 1.561 20 5 CDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613692 393153708 /nfs/dbraw/zinc/15/37/08/393153708.db2.gz DRSRRWOCJCBWNC-VHSXEESVSA-N 1 1 268.317 1.064 20 5 CDBDMO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000185435336 140040869 /nfs/dbraw/zinc/04/08/69/140040869.db2.gz UYVQLWWONVIFAN-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000192649792 140142976 /nfs/dbraw/zinc/14/29/76/140142976.db2.gz BRBJXQPMPXXMHM-UHFFFAOYSA-N 1 1 275.308 1.578 20 5 CDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000192649792 140142978 /nfs/dbraw/zinc/14/29/78/140142978.db2.gz BRBJXQPMPXXMHM-UHFFFAOYSA-N 1 1 275.308 1.578 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545788 140319372 /nfs/dbraw/zinc/31/93/72/140319372.db2.gz JTAAALWNTXBIPQ-WCQYABFASA-N 1 1 292.339 1.573 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252883740 140330041 /nfs/dbraw/zinc/33/00/41/140330041.db2.gz VMJBHCXTINQJST-UBHSHLNASA-N 1 1 262.309 1.798 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)C2CCCCC2)c1 ZINC000304516122 140530972 /nfs/dbraw/zinc/53/09/72/140530972.db2.gz JAERHFVHMHPSSH-UHFFFAOYSA-N 1 1 282.344 1.418 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830062 140714020 /nfs/dbraw/zinc/71/40/20/140714020.db2.gz BDZAAAHMRBERJP-VHSXEESVSA-N 1 1 265.317 1.367 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NCCC[NH+]1CCOCC1 ZINC000286734089 397970137 /nfs/dbraw/zinc/97/01/37/397970137.db2.gz DVWHASQFHMMKFI-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccncc2)C2CC2)n1 ZINC000093221342 147038003 /nfs/dbraw/zinc/03/80/03/147038003.db2.gz JNYJEILJMXNBCG-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352659473 155330156 /nfs/dbraw/zinc/33/01/56/155330156.db2.gz JTPPKHMUGCLQKJ-OLZOCXBDSA-N 1 1 250.298 1.940 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343596380 152237846 /nfs/dbraw/zinc/23/78/46/152237846.db2.gz HCACDTPPAHQYGB-ZJUUUORDSA-N 1 1 267.333 1.531 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000345946524 153005059 /nfs/dbraw/zinc/00/50/59/153005059.db2.gz GKHYIRJOGHBDQR-ZJUUUORDSA-N 1 1 281.312 1.743 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000345946524 153005061 /nfs/dbraw/zinc/00/50/61/153005061.db2.gz GKHYIRJOGHBDQR-ZJUUUORDSA-N 1 1 281.312 1.743 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347045489 153392271 /nfs/dbraw/zinc/39/22/71/153392271.db2.gz NSPAZBGALTWQPD-GXFFZTMASA-N 1 1 278.308 1.978 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042771 156237571 /nfs/dbraw/zinc/23/75/71/156237571.db2.gz RMOVDZMOTNDGMG-YPMHNXCESA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042768 156237862 /nfs/dbraw/zinc/23/78/62/156237862.db2.gz RMOVDZMOTNDGMG-AAEUAGOBSA-N 1 1 296.371 1.520 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044564370 175207711 /nfs/dbraw/zinc/20/77/11/175207711.db2.gz NGOXGQPKYAFZDC-LLVKDONJSA-N 1 1 295.314 1.948 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779625 274055589 /nfs/dbraw/zinc/05/55/89/274055589.db2.gz SMFLLCRNGNRHAE-QWRGUYRKSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779625 274055590 /nfs/dbraw/zinc/05/55/90/274055590.db2.gz SMFLLCRNGNRHAE-QWRGUYRKSA-N 1 1 295.339 1.889 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915181 277087545 /nfs/dbraw/zinc/08/75/45/277087545.db2.gz XUMFQLNFVXVUJZ-AWEZNQCLSA-N 1 1 276.340 1.912 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000558032953 290378789 /nfs/dbraw/zinc/37/87/89/290378789.db2.gz LFNWBBCNFFCLGU-AWEZNQCLSA-N 1 1 292.339 1.101 20 5 CDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+](C2CC2)C1 ZINC000568719270 294087059 /nfs/dbraw/zinc/08/70/59/294087059.db2.gz UPCQPAYQLFGWEN-LLVKDONJSA-N 1 1 276.340 1.910 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569421204 294192017 /nfs/dbraw/zinc/19/20/17/294192017.db2.gz ASRVUZNEILRFFT-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CCC(CCO)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000578905619 324056725 /nfs/dbraw/zinc/05/67/25/324056725.db2.gz FDWFZDWOEMWNAX-UHFFFAOYSA-N 1 1 293.367 1.531 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578910818 324057525 /nfs/dbraw/zinc/05/75/25/324057525.db2.gz XHQUSSQYDKERAF-ZDUSSCGKSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242650 327125978 /nfs/dbraw/zinc/12/59/78/327125978.db2.gz BFUSHESPUSLLKA-PHIMTYICSA-N 1 1 297.330 1.874 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000049281811 519687708 /nfs/dbraw/zinc/68/77/08/519687708.db2.gz WWULAQZSTNGQLN-SNVBAGLBSA-N 1 1 250.302 1.884 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184220624 522392390 /nfs/dbraw/zinc/39/23/90/522392390.db2.gz RTNPNSPAHIXDME-VIFPVBQESA-N 1 1 284.287 1.557 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184220624 522392400 /nfs/dbraw/zinc/39/24/00/522392400.db2.gz RTNPNSPAHIXDME-VIFPVBQESA-N 1 1 284.287 1.557 20 5 CDBDMO CNc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000161444801 522540477 /nfs/dbraw/zinc/54/04/77/522540477.db2.gz FUCRJZNDTAXZFS-JTQLQIEISA-N 1 1 292.339 1.318 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000157350478 525434278 /nfs/dbraw/zinc/43/42/78/525434278.db2.gz BQZBOHNXPVCRQS-NXEZZACHSA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000365834046 527349591 /nfs/dbraw/zinc/34/95/91/527349591.db2.gz ACFJNEZJUNRSHX-CQSZACIVSA-N 1 1 262.309 1.942 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000067386385 527371842 /nfs/dbraw/zinc/37/18/42/527371842.db2.gz MPEWZZJMQKXSDS-GFCCVEGCSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000747986374 576891639 /nfs/dbraw/zinc/89/16/39/576891639.db2.gz MHMCZUFWGXJPMO-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000747986374 576891641 /nfs/dbraw/zinc/89/16/41/576891641.db2.gz MHMCZUFWGXJPMO-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000749691723 576958094 /nfs/dbraw/zinc/95/80/94/576958094.db2.gz RMHDWDRWFAUDAI-ZDUSSCGKSA-N 1 1 277.280 1.714 20 5 CDBDMO COc1c(O)ccc(C[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000891535168 617465350 /nfs/dbraw/zinc/46/53/50/617465350.db2.gz BEGXMRBSOJMKBH-UHFFFAOYSA-N 1 1 296.323 1.920 20 5 CDBDMO CC[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931772828 617725518 /nfs/dbraw/zinc/72/55/18/617725518.db2.gz OJVUZSOKIPYWEG-SSDOTTSWSA-N 1 1 260.240 1.734 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000893938743 618200383 /nfs/dbraw/zinc/20/03/83/618200383.db2.gz FPEMOMGAONYBII-MNOVXSKESA-N 1 1 279.344 1.260 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCCN2CC[NH2+]CC2)c1 ZINC000841043087 618678127 /nfs/dbraw/zinc/67/81/27/618678127.db2.gz ORNUFVBBJUQQDI-UHFFFAOYSA-N 1 1 298.774 1.243 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928559255 619377666 /nfs/dbraw/zinc/37/76/66/619377666.db2.gz WORDDHSBHLVUGJ-SECBINFHSA-N 1 1 288.307 1.510 20 5 CDBDMO Cc1nc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000895193603 619445139 /nfs/dbraw/zinc/44/51/39/619445139.db2.gz YFQHNFUEQDDWRD-NWDGAFQWSA-N 1 1 276.340 1.971 20 5 CDBDMO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895245504 619486690 /nfs/dbraw/zinc/48/66/90/619486690.db2.gz BAMVJGXOQCLNEY-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246752 619493355 /nfs/dbraw/zinc/49/33/55/619493355.db2.gz DINDMFMKFNOXHR-MWLCHTKSSA-N 1 1 284.385 1.703 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000923890085 621662076 /nfs/dbraw/zinc/66/20/76/621662076.db2.gz PBRAYQFYQZEPLM-GFCCVEGCSA-N 1 1 296.327 1.207 20 5 CDBDMO CC[NH+](CC)Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899868090 622494175 /nfs/dbraw/zinc/49/41/75/622494175.db2.gz VGACWVQVKUMNFR-UHFFFAOYSA-N 1 1 265.357 1.895 20 5 CDBDMO C[NH+]1CCN(C(=N)Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157914604 1162543364 /nfs/dbraw/zinc/54/33/64/1162543364.db2.gz IRAKLODDHKXIMJ-UHFFFAOYSA-N 1 1 298.734 1.237 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974213 1181017012 /nfs/dbraw/zinc/01/70/12/1181017012.db2.gz NWXUFEFPZUTWED-QWHCGFSZSA-N 1 1 294.355 1.867 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974213 1181017014 /nfs/dbraw/zinc/01/70/14/1181017014.db2.gz NWXUFEFPZUTWED-QWHCGFSZSA-N 1 1 294.355 1.867 20 5 CDBDMO COc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164635690 719169789 /nfs/dbraw/zinc/16/97/89/719169789.db2.gz LGVHDMBTJXGVLT-NXEZZACHSA-N 1 1 280.328 1.527 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357586 796537478 /nfs/dbraw/zinc/53/74/78/796537478.db2.gz CTTLSFWFMUFDAI-VHRBIJSZSA-N 1 1 280.324 1.331 20 5 CDBDMO O=C1CC[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000886278715 796640920 /nfs/dbraw/zinc/64/09/20/796640920.db2.gz HLYAJPUFXAUISO-PWSUYJOCSA-N 1 1 290.323 1.090 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000886278715 796640930 /nfs/dbraw/zinc/64/09/30/796640930.db2.gz HLYAJPUFXAUISO-PWSUYJOCSA-N 1 1 290.323 1.090 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000827696697 796865828 /nfs/dbraw/zinc/86/58/28/796865828.db2.gz MZQMHTVWCYWVNA-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839491809 796894569 /nfs/dbraw/zinc/89/45/69/796894569.db2.gz MEUBRYXTPROFRX-ZIAGYGMSSA-N 1 1 291.351 1.242 20 5 CDBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000839503064 796902667 /nfs/dbraw/zinc/90/26/67/796902667.db2.gz NDCGXZLVYJEBMS-CHWSQXEVSA-N 1 1 283.372 1.422 20 5 CDBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839503064 796902671 /nfs/dbraw/zinc/90/26/71/796902671.db2.gz NDCGXZLVYJEBMS-CHWSQXEVSA-N 1 1 283.372 1.422 20 5 CDBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000839503064 796902677 /nfs/dbraw/zinc/90/26/77/796902677.db2.gz NDCGXZLVYJEBMS-CHWSQXEVSA-N 1 1 283.372 1.422 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332942 796977038 /nfs/dbraw/zinc/97/70/38/796977038.db2.gz VQAQCDYUJJIGAL-QWHCGFSZSA-N 1 1 297.399 1.765 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000876816240 797068684 /nfs/dbraw/zinc/06/86/84/797068684.db2.gz XJEVYTBWDCUTLC-ZDUSSCGKSA-N 1 1 277.324 1.532 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CCNC1=O ZINC000876816240 797068692 /nfs/dbraw/zinc/06/86/92/797068692.db2.gz XJEVYTBWDCUTLC-ZDUSSCGKSA-N 1 1 277.324 1.532 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000886219944 797375901 /nfs/dbraw/zinc/37/59/01/797375901.db2.gz AKKAHVQBJUBHFS-LLVKDONJSA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000886219944 797375915 /nfs/dbraw/zinc/37/59/15/797375915.db2.gz AKKAHVQBJUBHFS-LLVKDONJSA-N 1 1 251.286 1.337 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000886018547 797399531 /nfs/dbraw/zinc/39/95/31/797399531.db2.gz BZZOXWXOQLRMMC-GFCCVEGCSA-N 1 1 278.356 1.763 20 5 CDBDMO C[C@@H](NCC(F)(F)C[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817967156 797429300 /nfs/dbraw/zinc/42/93/00/797429300.db2.gz DGUXSEUEWNOWLS-SSDOTTSWSA-N 1 1 274.271 1.422 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1F ZINC000879971259 797563556 /nfs/dbraw/zinc/56/35/56/797563556.db2.gz OMXUKIMMVKNESH-UHFFFAOYSA-N 1 1 298.314 1.301 20 5 CDBDMO Cc1ccc(C[N@H+](CCO)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000714018179 797969802 /nfs/dbraw/zinc/96/98/02/797969802.db2.gz CCBINYBARNHJJX-NSHDSACASA-N 1 1 268.313 1.078 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nc(C)ncc1[N+](=O)[O-] ZINC001156007374 1167285178 /nfs/dbraw/zinc/28/51/78/1167285178.db2.gz NOXAVPLCQLTFAE-UHFFFAOYSA-N 1 1 262.273 1.310 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[C@H]2N)c1F ZINC001173190839 912285330 /nfs/dbraw/zinc/28/53/30/912285330.db2.gz HXDZPAPNBCEYLI-SZEHBUNVSA-N 1 1 283.303 1.363 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228655039 907536497 /nfs/dbraw/zinc/53/64/97/907536497.db2.gz OYYBMZBYFAJWMS-SECBINFHSA-N 1 1 252.274 1.248 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000831533493 936515696 /nfs/dbraw/zinc/51/56/96/936515696.db2.gz IGRASKYJXWYSIA-BYCMXARLSA-N 1 1 294.351 1.985 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332939 936587962 /nfs/dbraw/zinc/58/79/62/936587962.db2.gz VQAQCDYUJJIGAL-OLZOCXBDSA-N 1 1 297.399 1.765 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832811341 936603864 /nfs/dbraw/zinc/60/38/64/936603864.db2.gz SVBJNFLCEPJHAY-AWEZNQCLSA-N 1 1 283.372 1.376 20 5 CDBDMO Cc1cc(NCCc2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000073000313 936658504 /nfs/dbraw/zinc/65/85/04/936658504.db2.gz FLSRGZXTMYWBFN-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839567289 936915527 /nfs/dbraw/zinc/91/55/27/936915527.db2.gz CZCRCVARNUHLNV-CHWSQXEVSA-N 1 1 283.372 1.230 20 5 CDBDMO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839567289 936915529 /nfs/dbraw/zinc/91/55/29/936915529.db2.gz CZCRCVARNUHLNV-CHWSQXEVSA-N 1 1 283.372 1.230 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839567289 936915531 /nfs/dbraw/zinc/91/55/31/936915531.db2.gz CZCRCVARNUHLNV-CHWSQXEVSA-N 1 1 283.372 1.230 20 5 CDBDMO CC[C@H]([NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169792 937117723 /nfs/dbraw/zinc/11/77/23/937117723.db2.gz PXTJIWRNFKOKRF-ZETCQYMHSA-N 1 1 263.257 1.637 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2([NH3+])CC2)n1 ZINC000843186715 937118968 /nfs/dbraw/zinc/11/89/68/937118968.db2.gz COKFHMZQQCCBOW-UHFFFAOYSA-N 1 1 260.253 1.901 20 5 CDBDMO Cc1noc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168996031 927603241 /nfs/dbraw/zinc/60/32/41/927603241.db2.gz UGZXGWSVSOXQQQ-UWVGGRQHSA-N 1 1 266.301 1.402 20 5 CDBDMO CC(C)[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007117 927611699 /nfs/dbraw/zinc/61/16/99/927611699.db2.gz LIFHQXCXZXYBQA-CHWSQXEVSA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CCCO[C@H]3C2)C1 ZINC001169010717 927616154 /nfs/dbraw/zinc/61/61/54/927616154.db2.gz FUEGNQWNWCFWSV-MQYQWHSLSA-N 1 1 268.357 1.933 20 5 CDBDMO CC(C)(C)N1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033619 927640380 /nfs/dbraw/zinc/64/03/80/927640380.db2.gz COEKCIZHRHMYAD-NWDGAFQWSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(C)(C)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033619 927640384 /nfs/dbraw/zinc/64/03/84/927640384.db2.gz COEKCIZHRHMYAD-NWDGAFQWSA-N 1 1 283.372 1.375 20 5 CDBDMO CCC[N@@H+](CC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039705 927651667 /nfs/dbraw/zinc/65/16/67/927651667.db2.gz SNHFKXJKIKBRCU-NEPJUHHUSA-N 1 1 272.345 1.707 20 5 CDBDMO C[N@@H+](CCC1OCCO1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040126 927653800 /nfs/dbraw/zinc/65/38/00/927653800.db2.gz YBQCDZNBOPEHKB-GHMZBOCLSA-N 1 1 258.318 1.127 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CCCCC3)C2)C1 ZINC001169040111 927655058 /nfs/dbraw/zinc/65/50/58/927655058.db2.gz XYVUITFSYXESTB-OLZOCXBDSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2C2CC2)C1 ZINC001169047857 927665164 /nfs/dbraw/zinc/66/51/64/927665164.db2.gz RXPBESVLJRKDPF-KGYLQXTDSA-N 1 1 254.330 1.543 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCC1 ZINC000861385912 929287597 /nfs/dbraw/zinc/28/75/97/929287597.db2.gz DTQIYTWSNZRWPM-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H](N)CCC[NH3+] ZINC001170901330 930701658 /nfs/dbraw/zinc/70/16/58/930701658.db2.gz ZKMWQOHVJNFTKX-NSHDSACASA-N 1 1 296.327 1.207 20 5 CDBDMO COc1cccc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170900640 930704291 /nfs/dbraw/zinc/70/42/91/930704291.db2.gz XIJSCDIQPZGAGU-JTQLQIEISA-N 1 1 254.290 1.039 20 5 CDBDMO C[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885944137 930775334 /nfs/dbraw/zinc/77/53/34/930775334.db2.gz KQSKXCWEIAWUJX-UHFFFAOYSA-N 1 1 250.302 1.127 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCSCC1 ZINC000886092492 930802447 /nfs/dbraw/zinc/80/24/47/930802447.db2.gz YLFKZZFLWQIIAB-UHFFFAOYSA-N 1 1 253.327 1.929 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCSCC1 ZINC000886092492 930802454 /nfs/dbraw/zinc/80/24/54/930802454.db2.gz YLFKZZFLWQIIAB-UHFFFAOYSA-N 1 1 253.327 1.929 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000887938985 931263734 /nfs/dbraw/zinc/26/37/34/931263734.db2.gz IYOLQJGQTFEESC-RNCFNFMXSA-N 1 1 295.364 1.680 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000050682938 937578696 /nfs/dbraw/zinc/57/86/96/937578696.db2.gz BDZJKTPAPAXLEK-UHFFFAOYSA-N 1 1 292.339 1.414 20 5 CDBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930299809 933352747 /nfs/dbraw/zinc/35/27/47/933352747.db2.gz JFBGNKMMDPYPIH-RFGFWPKPSA-N 1 1 270.373 1.915 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000687596191 934336193 /nfs/dbraw/zinc/33/61/93/934336193.db2.gz QWHZEZLLETWPJX-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000687596191 934336205 /nfs/dbraw/zinc/33/62/05/934336205.db2.gz QWHZEZLLETWPJX-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001157260586 938471355 /nfs/dbraw/zinc/47/13/55/938471355.db2.gz LETKSEGTNQGORK-WPRPVWTQSA-N 1 1 297.746 1.569 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001157266055 938472121 /nfs/dbraw/zinc/47/21/21/938472121.db2.gz NHWGVIKLTZQEDP-CABZTGNLSA-N 1 1 280.303 1.659 20 5 CDBDMO CCOc1nc(NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157530892 938505633 /nfs/dbraw/zinc/50/56/33/938505633.db2.gz HKRZQQYEIRNETL-UHFFFAOYSA-N 1 1 280.328 1.893 20 5 CDBDMO Cc1c(C)c(N2CC[N@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158435059 938626092 /nfs/dbraw/zinc/62/60/92/938626092.db2.gz VXADNPISQFREQS-NSHDSACASA-N 1 1 262.313 1.501 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N2CC=CC2)ncc1[N+](=O)[O-] ZINC001163919339 939352392 /nfs/dbraw/zinc/35/23/92/939352392.db2.gz XYKBYYJJLOVWTF-VMPITWQZSA-N 1 1 260.297 1.898 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001165150579 939519317 /nfs/dbraw/zinc/51/93/17/939519317.db2.gz RXOMZPKXMKQQES-PHIMTYICSA-N 1 1 299.334 1.536 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001165385710 939555329 /nfs/dbraw/zinc/55/53/29/939555329.db2.gz ZTRNMLFXCCFAQS-UHFFFAOYSA-N 1 1 259.269 1.515 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccnc2[N+](=O)[O-])C1 ZINC001225629321 941891721 /nfs/dbraw/zinc/89/17/21/941891721.db2.gz KKNARLBJYMAZNM-SNVBAGLBSA-N 1 1 267.285 1.089 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3F)[C@H]1CC(=O)C2 ZINC001225794642 941914195 /nfs/dbraw/zinc/91/41/95/941914195.db2.gz VWSPBWANKNHZSE-RLCGTCKNSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3F)[C@H]1CC(=O)C2 ZINC001225794642 941914197 /nfs/dbraw/zinc/91/41/97/941914197.db2.gz VWSPBWANKNHZSE-RLCGTCKNSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cn1)C2 ZINC001226730363 942058995 /nfs/dbraw/zinc/05/89/95/942058995.db2.gz DQHZRPDJXFZFCI-DOFRTFSJSA-N 1 1 264.285 1.389 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cnccc21 ZINC001226975937 942105082 /nfs/dbraw/zinc/10/50/82/942105082.db2.gz FFGSAQJJZJISBE-SECBINFHSA-O 1 1 263.321 1.204 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507214 942328212 /nfs/dbraw/zinc/32/82/12/942328212.db2.gz JDHHMQAWDFDDIR-ZETCQYMHSA-N 1 1 270.744 1.480 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656499 942349367 /nfs/dbraw/zinc/34/93/67/942349367.db2.gz FULZVQJCGFMHEJ-SECBINFHSA-N 1 1 252.274 1.248 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688950 942359066 /nfs/dbraw/zinc/35/90/66/942359066.db2.gz NHMMJDQBHZHGBC-SNVBAGLBSA-N 1 1 297.311 1.103 20 5 CDBDMO Cc1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230485889 942623336 /nfs/dbraw/zinc/62/33/36/942623336.db2.gz WKVJALASXPUNEX-VIFPVBQESA-N 1 1 281.268 1.894 20 5 CDBDMO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001262705733 943677344 /nfs/dbraw/zinc/67/73/44/943677344.db2.gz QYFUJPZPVZTXDV-MFKMUULPSA-N 1 1 296.346 1.780 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234881669 943967218 /nfs/dbraw/zinc/96/72/18/943967218.db2.gz RXBGWWRIPKEVNR-JTQLQIEISA-N 1 1 281.312 1.862 20 5 CDBDMO CC(C)[N@H+](CCN)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571977 947530207 /nfs/dbraw/zinc/53/02/07/947530207.db2.gz FTPPWEYEQYDDTI-CQSZACIVSA-N 1 1 263.341 1.731 20 5 CDBDMO CC(C)[N@@H+](CCN)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571977 947530216 /nfs/dbraw/zinc/53/02/16/947530216.db2.gz FTPPWEYEQYDDTI-CQSZACIVSA-N 1 1 263.341 1.731 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3nncn3CC1)C2 ZINC001254595864 947546045 /nfs/dbraw/zinc/54/60/45/947546045.db2.gz ZXIJGAGXVHMXBG-AWEZNQCLSA-N 1 1 299.334 1.212 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1CO)C2 ZINC001254601088 947549600 /nfs/dbraw/zinc/54/96/00/947549600.db2.gz ZBXPPJMABTXHFW-GJZGRUSLSA-N 1 1 276.336 1.909 20 5 CDBDMO COC[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606421 947553858 /nfs/dbraw/zinc/55/38/58/947553858.db2.gz FWLKKHXSZACEIL-GJZGRUSLSA-N 1 1 292.335 1.409 20 5 CDBDMO COC[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606421 947553863 /nfs/dbraw/zinc/55/38/63/947553863.db2.gz FWLKKHXSZACEIL-GJZGRUSLSA-N 1 1 292.335 1.409 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCn3nccc3C1)C2 ZINC001254611336 947556011 /nfs/dbraw/zinc/55/60/11/947556011.db2.gz PRDFKJDYRLYXIS-OAHLLOKOSA-N 1 1 284.319 1.774 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCn3nccc3C1)C2 ZINC001254611336 947556013 /nfs/dbraw/zinc/55/60/13/947556013.db2.gz PRDFKJDYRLYXIS-OAHLLOKOSA-N 1 1 284.319 1.774 20 5 CDBDMO N[C@]12C[C@H]1C[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246870891 948495114 /nfs/dbraw/zinc/49/51/14/948495114.db2.gz PRUDTHSXKJBOKV-LZWOXQAQSA-N 1 1 287.363 1.875 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cccc([N+](=O)[O-])c2N)o1 ZINC001322399390 960207050 /nfs/dbraw/zinc/20/70/50/960207050.db2.gz FNXXDMMUOUXNBZ-UHFFFAOYSA-N 1 1 263.257 1.289 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001339751661 962517697 /nfs/dbraw/zinc/51/76/97/962517697.db2.gz CSDJIHSWZRJQOD-SECBINFHSA-N 1 1 265.317 1.102 20 5 CDBDMO Cc1cnc(C2CC[NH+](CC[N+](=O)[O-])CC2)s1 ZINC001341374837 963390086 /nfs/dbraw/zinc/39/00/86/963390086.db2.gz LCXUOYHCCRHJKW-UHFFFAOYSA-N 1 1 255.343 1.908 20 5 CDBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094836 967027632 /nfs/dbraw/zinc/02/76/32/967027632.db2.gz PGJRVGKOISUIDY-QMTHXVAHSA-N 1 1 280.324 1.473 20 5 CDBDMO CC(C)[N@H+](C)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC001356570553 969432039 /nfs/dbraw/zinc/43/20/39/969432039.db2.gz MTHKQLZDBDBAHI-UHFFFAOYSA-N 1 1 265.357 1.893 20 5 CDBDMO CC(C)[N@@H+](C)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC001356570553 969432042 /nfs/dbraw/zinc/43/20/42/969432042.db2.gz MTHKQLZDBDBAHI-UHFFFAOYSA-N 1 1 265.357 1.893 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001515470812 969896556 /nfs/dbraw/zinc/89/65/56/969896556.db2.gz QYHNIGLBGHUMSF-SNVBAGLBSA-N 1 1 279.344 1.350 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1C ZINC000599199436 343979110 /nfs/dbraw/zinc/97/91/10/343979110.db2.gz KXIYEQOWEVFQPA-NSHDSACASA-N 1 1 295.339 1.390 20 5 CDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000590702470 342582442 /nfs/dbraw/zinc/58/24/42/342582442.db2.gz ZPWGEOZRFSOWIV-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000096088692 185093928 /nfs/dbraw/zinc/09/39/28/185093928.db2.gz WORMGPZRRVOOPF-TXEJJXNPSA-N 1 1 289.335 1.537 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000591473438 342634421 /nfs/dbraw/zinc/63/44/21/342634421.db2.gz XYDYTSZSGVLOOQ-BJHJDKERSA-N 1 1 250.298 1.798 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000058847566 342153600 /nfs/dbraw/zinc/15/36/00/342153600.db2.gz LTIIXSHZQGWGBW-UHFFFAOYSA-N 1 1 277.324 1.763 20 5 CDBDMO COc1cc(C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1F ZINC000593109227 342769274 /nfs/dbraw/zinc/76/92/74/342769274.db2.gz XGQBVIZNAFUFQQ-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1F ZINC000593109227 342769275 /nfs/dbraw/zinc/76/92/75/342769275.db2.gz XGQBVIZNAFUFQQ-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594054415 342872882 /nfs/dbraw/zinc/87/28/82/342872882.db2.gz GGBRQZABJLXFGB-SNVBAGLBSA-N 1 1 280.324 1.949 20 5 CDBDMO C[N@@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000600820034 342250757 /nfs/dbraw/zinc/25/07/57/342250757.db2.gz KELFVUWIJWGMQL-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)C1CC1 ZINC000595294738 343026696 /nfs/dbraw/zinc/02/66/96/343026696.db2.gz DLOBOAXMSWGOJA-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)C1CC1 ZINC000595294738 343026697 /nfs/dbraw/zinc/02/66/97/343026697.db2.gz DLOBOAXMSWGOJA-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO CCN1CC[NH+](CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000075469731 342311059 /nfs/dbraw/zinc/31/10/59/342311059.db2.gz AGZBHXMUWSBOOW-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO COCCOC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595322438 343035299 /nfs/dbraw/zinc/03/52/99/343035299.db2.gz ZJTGFUWAULBQMH-UHFFFAOYSA-N 1 1 299.327 1.519 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595406897 343050356 /nfs/dbraw/zinc/05/03/56/343050356.db2.gz CRAVTEWVXPTOLH-NXEZZACHSA-N 1 1 268.317 1.416 20 5 CDBDMO CO[C@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513038 343082299 /nfs/dbraw/zinc/08/22/99/343082299.db2.gz RPAYJOJSUACZQI-ZJUUUORDSA-N 1 1 269.301 1.794 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595529445 343090132 /nfs/dbraw/zinc/09/01/32/343090132.db2.gz XFPMVRJBJPTQDP-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595529445 343090133 /nfs/dbraw/zinc/09/01/33/343090133.db2.gz XFPMVRJBJPTQDP-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595765473 343145243 /nfs/dbraw/zinc/14/52/43/343145243.db2.gz HOOYRRUEKXSEBE-DTWKUNHWSA-N 1 1 255.274 1.236 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595765473 343145245 /nfs/dbraw/zinc/14/52/45/343145245.db2.gz HOOYRRUEKXSEBE-DTWKUNHWSA-N 1 1 255.274 1.236 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596272239 343293903 /nfs/dbraw/zinc/29/39/03/343293903.db2.gz VGRDZTRLBYFWBT-SNVBAGLBSA-N 1 1 280.328 1.839 20 5 CDBDMO COc1ccc(OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000596277856 343296490 /nfs/dbraw/zinc/29/64/90/343296490.db2.gz JEYVVGRHCVCXNG-UHFFFAOYSA-N 1 1 277.280 1.958 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922648 343662499 /nfs/dbraw/zinc/66/24/99/343662499.db2.gz JYCJRBIHBQYXQT-VIFPVBQESA-N 1 1 295.343 1.229 20 5 CDBDMO CCOc1cc(C[N@@H+](C)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276976001 362257771 /nfs/dbraw/zinc/25/77/71/362257771.db2.gz XOOFPNSFNAJBEC-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO Cc1nn(C)c(NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599140569 343959766 /nfs/dbraw/zinc/95/97/66/343959766.db2.gz VUKQGDAXOODREF-NSHDSACASA-N 1 1 281.360 1.781 20 5 CDBDMO Cc1cccc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176363 343966183 /nfs/dbraw/zinc/96/61/83/343966183.db2.gz RNDNMDDHRFPSCD-LLVKDONJSA-N 1 1 265.313 1.382 20 5 CDBDMO O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000601974865 344296392 /nfs/dbraw/zinc/29/63/92/344296392.db2.gz RXJSORFVAHTDKW-PHIMTYICSA-N 1 1 291.307 1.112 20 5 CDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000601974865 344296394 /nfs/dbraw/zinc/29/63/94/344296394.db2.gz RXJSORFVAHTDKW-PHIMTYICSA-N 1 1 291.307 1.112 20 5 CDBDMO CCOCC[N@@H+](CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775662 344578354 /nfs/dbraw/zinc/57/83/54/344578354.db2.gz LYWQNCVLRBKAHZ-UHFFFAOYSA-N 1 1 270.333 1.458 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826859 344612478 /nfs/dbraw/zinc/61/24/78/344612478.db2.gz OHWIZTPOCXUMAY-CMPLNLGQSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602983347 344675236 /nfs/dbraw/zinc/67/52/36/344675236.db2.gz IPQIKKJFISSDLQ-CYBMUJFWSA-N 1 1 282.344 1.337 20 5 CDBDMO COCC[N@@H+](C)CCCNc1cccnc1[N+](=O)[O-] ZINC000603853571 344840351 /nfs/dbraw/zinc/84/03/51/344840351.db2.gz FSBPPGASDJTQQT-UHFFFAOYSA-N 1 1 268.317 1.370 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000265676559 362571845 /nfs/dbraw/zinc/57/18/45/362571845.db2.gz ZNKILCRMMJWWNF-GFCCVEGCSA-N 1 1 293.323 1.136 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000265676559 362571851 /nfs/dbraw/zinc/57/18/51/362571851.db2.gz ZNKILCRMMJWWNF-GFCCVEGCSA-N 1 1 293.323 1.136 20 5 CDBDMO CCc1nocc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000293403728 362557476 /nfs/dbraw/zinc/55/74/76/362557476.db2.gz LTWWMORNOMLGOD-UHFFFAOYSA-N 1 1 279.300 1.474 20 5 CDBDMO CCc1nocc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000293403728 362557480 /nfs/dbraw/zinc/55/74/80/362557480.db2.gz LTWWMORNOMLGOD-UHFFFAOYSA-N 1 1 279.300 1.474 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344309749 362562120 /nfs/dbraw/zinc/56/21/20/362562120.db2.gz SBGJNIIOQXQMRQ-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000611087334 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CC(C)(CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCOCC1 ZINC000072522006 349123261 /nfs/dbraw/zinc/12/32/61/349123261.db2.gz RPYGRTLWAXKWJU-UHFFFAOYSA-N 1 1 280.328 1.513 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106880495 186145703 /nfs/dbraw/zinc/14/57/03/186145703.db2.gz LVUXBAHBTWTUOF-GFCCVEGCSA-N 1 1 266.297 1.694 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000092470811 180392621 /nfs/dbraw/zinc/39/26/21/180392621.db2.gz IBVJRCCOMRIQAT-GFCCVEGCSA-N 1 1 250.298 1.860 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412104859 365967869 /nfs/dbraw/zinc/96/78/69/365967869.db2.gz OHKUOVSQQIKPEC-SLEUVZQESA-N 1 1 294.351 1.639 20 5 CDBDMO CCOCC[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000107681165 186184762 /nfs/dbraw/zinc/18/47/62/186184762.db2.gz NTFXNWHFATVFSH-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO CCOCC[N@@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000107681165 186184763 /nfs/dbraw/zinc/18/47/63/186184763.db2.gz 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CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)OC ZINC000361574231 358325077 /nfs/dbraw/zinc/32/50/77/358325077.db2.gz UFKVUBZHDCNCEM-SECBINFHSA-N 1 1 256.306 1.185 20 5 CDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)OC ZINC000361574231 358325079 /nfs/dbraw/zinc/32/50/79/358325079.db2.gz UFKVUBZHDCNCEM-SECBINFHSA-N 1 1 256.306 1.185 20 5 CDBDMO CC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341583091 358666351 /nfs/dbraw/zinc/66/63/51/358666351.db2.gz JZLPQDFZIAKQAV-NSHDSACASA-N 1 1 265.313 1.631 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000264904833 358761780 /nfs/dbraw/zinc/76/17/80/358761780.db2.gz CTDORSCWHCJTPG-SNVBAGLBSA-N 1 1 294.359 1.643 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000352774801 358903616 /nfs/dbraw/zinc/90/36/16/358903616.db2.gz XABWLKLXMVPDTB-ZWNOBZJWSA-N 1 1 277.324 1.785 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000352774801 358903618 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CC[C@@H](C)NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370044 359124784 /nfs/dbraw/zinc/12/47/84/359124784.db2.gz YTQDSFXYWFSFJA-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO COC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000050050746 359281263 /nfs/dbraw/zinc/28/12/63/359281263.db2.gz GZQWMNZXMIFNPI-CYBMUJFWSA-N 1 1 278.308 1.775 20 5 CDBDMO COC(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000050050746 359281268 /nfs/dbraw/zinc/28/12/68/359281268.db2.gz GZQWMNZXMIFNPI-CYBMUJFWSA-N 1 1 278.308 1.775 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)N1CCN(C)CC1 ZINC000112079716 359283542 /nfs/dbraw/zinc/28/35/42/359283542.db2.gz SJUVMHSDEIBSQO-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000571831747 359618398 /nfs/dbraw/zinc/61/83/98/359618398.db2.gz OAFUKBNUINIUKO-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO CC(C)[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000297289619 200136496 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20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340431858 360706247 /nfs/dbraw/zinc/70/62/47/360706247.db2.gz JUOJIDSDNFXQBO-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297689 360936873 /nfs/dbraw/zinc/93/68/73/360936873.db2.gz FSYGKTUKZXBEQS-LLVKDONJSA-N 1 1 286.719 1.122 20 5 CDBDMO COCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000134390365 360996678 /nfs/dbraw/zinc/99/66/78/360996678.db2.gz AXSGBBMZRUOAAY-UHFFFAOYSA-N 1 1 268.313 1.344 20 5 CDBDMO Nc1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000290906554 283664257 /nfs/dbraw/zinc/66/42/57/283664257.db2.gz GDOJAPKTIMOQKB-UHFFFAOYSA-N 1 1 288.311 1.227 20 5 CDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+](C2CC2)C1 ZINC000294891597 361609586 /nfs/dbraw/zinc/60/95/86/361609586.db2.gz HCGTXIZASVIYFW-SECBINFHSA-N 1 1 282.369 1.972 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2nccc2[N+](=O)[O-])C1 ZINC000581835578 364044928 /nfs/dbraw/zinc/04/49/28/364044928.db2.gz DXLFELYCUNDRPZ-PHIMTYICSA-N 1 1 252.318 1.769 20 5 CDBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000172755889 364181556 /nfs/dbraw/zinc/18/15/56/364181556.db2.gz ROAUYSDRMDALDV-SNVBAGLBSA-N 1 1 283.353 1.823 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000174818637 364574321 /nfs/dbraw/zinc/57/43/21/364574321.db2.gz LLCWFPLPTRQGHJ-UHFFFAOYSA-N 1 1 270.333 1.396 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000275617882 193087843 /nfs/dbraw/zinc/08/78/43/193087843.db2.gz TXHZWCBFOFJIJQ-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613246 367729497 /nfs/dbraw/zinc/72/94/97/367729497.db2.gz DWARFIZHANVIFV-LLVKDONJSA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437755 367732451 /nfs/dbraw/zinc/73/24/51/367732451.db2.gz IFVOUKAZDJMLSK-MWLCHTKSSA-N 1 1 278.312 1.089 20 5 CDBDMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272555164 367763706 /nfs/dbraw/zinc/76/37/06/367763706.db2.gz HTOMUWDJNQPZEA-LLVKDONJSA-N 1 1 293.323 1.515 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272555164 367763713 /nfs/dbraw/zinc/76/37/13/367763713.db2.gz HTOMUWDJNQPZEA-LLVKDONJSA-N 1 1 293.323 1.515 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646939 369495261 /nfs/dbraw/zinc/49/52/61/369495261.db2.gz HZCYPUXGOMUDOB-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO CNCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414830346 370451368 /nfs/dbraw/zinc/45/13/68/370451368.db2.gz NXTYQJUXAVTVCK-NSHDSACASA-N 1 1 251.330 1.725 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000367797609 370484303 /nfs/dbraw/zinc/48/43/03/370484303.db2.gz LKMHXVQPYQHERZ-URLYPYJESA-N 1 1 296.298 1.413 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000367797609 370484312 /nfs/dbraw/zinc/48/43/12/370484312.db2.gz LKMHXVQPYQHERZ-URLYPYJESA-N 1 1 296.298 1.413 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331743827 204113297 /nfs/dbraw/zinc/11/32/97/204113297.db2.gz BRCZHFXWGMPDTA-RISCZKNCSA-N 1 1 296.371 1.964 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331743827 204113302 /nfs/dbraw/zinc/11/33/02/204113302.db2.gz BRCZHFXWGMPDTA-RISCZKNCSA-N 1 1 296.371 1.964 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266378125 372778115 /nfs/dbraw/zinc/77/81/15/372778115.db2.gz HRNWJPJJNRNCJY-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266378125 372778120 /nfs/dbraw/zinc/77/81/20/372778120.db2.gz HRNWJPJJNRNCJY-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266378125 372778127 /nfs/dbraw/zinc/77/81/27/372778127.db2.gz HRNWJPJJNRNCJY-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000065534023 373654327 /nfs/dbraw/zinc/65/43/27/373654327.db2.gz HEZFNKIZVDOWDQ-ZDUSSCGKSA-N 1 1 280.324 1.820 20 5 CDBDMO Cc1occc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266561781 373987642 /nfs/dbraw/zinc/98/76/42/373987642.db2.gz JQFVOALSKBRSSG-ZDUSSCGKSA-N 1 1 294.311 1.186 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000065208351 374256795 /nfs/dbraw/zinc/25/67/95/374256795.db2.gz MPEWZZJMQKXSDS-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000114486011 374312784 /nfs/dbraw/zinc/31/27/84/374312784.db2.gz OFSXHUPKSCPIIO-WDEREUQCSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000114486011 374312789 /nfs/dbraw/zinc/31/27/89/374312789.db2.gz OFSXHUPKSCPIIO-WDEREUQCSA-N 1 1 293.323 1.297 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC3(CCOCC3)C2)n1 ZINC000370030268 374374352 /nfs/dbraw/zinc/37/43/52/374374352.db2.gz WFUHQHXAGBTAHG-UHFFFAOYSA-N 1 1 294.355 1.684 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000115442504 374407427 /nfs/dbraw/zinc/40/74/27/374407427.db2.gz VKHCVAFODVTERN-SNVBAGLBSA-N 1 1 281.312 1.602 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147814 374454012 /nfs/dbraw/zinc/45/40/12/374454012.db2.gz RJTSGSZZSPBVLY-MNOVXSKESA-N 1 1 294.355 1.773 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000376894602 374575504 /nfs/dbraw/zinc/57/55/04/374575504.db2.gz IJZZYZNQECJSEG-ZDUSSCGKSA-N 1 1 262.309 1.860 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351949833 374697777 /nfs/dbraw/zinc/69/77/77/374697777.db2.gz APIKWQQAZHENCO-PWSUYJOCSA-N 1 1 266.297 1.286 20 5 CDBDMO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340913 374697828 /nfs/dbraw/zinc/69/78/28/374697828.db2.gz VUKCWGFDSVDNPU-UONOGXRCSA-N 1 1 281.356 1.558 20 5 CDBDMO C[C@@](CN)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430594331 374654400 /nfs/dbraw/zinc/65/44/00/374654400.db2.gz VIUDWOLLPLLADL-AWEZNQCLSA-N 1 1 279.340 1.691 20 5 CDBDMO C[C@@](C[NH3+])(NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430594331 374654406 /nfs/dbraw/zinc/65/44/06/374654406.db2.gz VIUDWOLLPLLADL-AWEZNQCLSA-N 1 1 279.340 1.691 20 5 CDBDMO CCOc1cc(C[N@@H+](CCO)CCCO)ccc1[N+](=O)[O-] ZINC000276900654 374757061 /nfs/dbraw/zinc/75/70/61/374757061.db2.gz LQNLOEKQYQNYHE-UHFFFAOYSA-N 1 1 298.339 1.170 20 5 CDBDMO CC1=C(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280751715 375018510 /nfs/dbraw/zinc/01/85/10/375018510.db2.gz NIXYJJBFPVUICB-UHFFFAOYSA-N 1 1 277.324 1.799 20 5 CDBDMO C[C@H](O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266547 375208465 /nfs/dbraw/zinc/20/84/65/375208465.db2.gz BWMNYJHHULYJNV-JTQLQIEISA-N 1 1 254.286 1.286 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354601899 375730636 /nfs/dbraw/zinc/73/06/36/375730636.db2.gz WHOLDMWNQRPCDE-WDEREUQCSA-N 1 1 279.344 1.694 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000357433087 375908443 /nfs/dbraw/zinc/90/84/43/375908443.db2.gz CPWRDUMRRPUSOH-OLZOCXBDSA-N 1 1 294.355 1.273 20 5 CDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347496550 376310557 /nfs/dbraw/zinc/31/05/57/376310557.db2.gz YUWWUCJVVPEBTM-UHFFFAOYSA-N 1 1 294.355 1.775 20 5 CDBDMO Cc1cnc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000231140380 376397904 /nfs/dbraw/zinc/39/79/04/376397904.db2.gz FQGWWTMIAAARME-UHFFFAOYSA-N 1 1 282.369 1.759 20 5 CDBDMO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267043569 376502615 /nfs/dbraw/zinc/50/26/15/376502615.db2.gz PIBUSVUSHKCURJ-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267043569 376502623 /nfs/dbraw/zinc/50/26/23/376502623.db2.gz PIBUSVUSHKCURJ-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000073994232 376789034 /nfs/dbraw/zinc/78/90/34/376789034.db2.gz BXWAIXWIWARZLG-GXTWGEPZSA-N 1 1 289.335 1.904 20 5 CDBDMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436193201 248230292 /nfs/dbraw/zinc/23/02/92/248230292.db2.gz IHLMDTCJEGBZPX-UHFFFAOYSA-N 1 1 261.285 1.874 20 5 CDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000443332465 250024148 /nfs/dbraw/zinc/02/41/48/250024148.db2.gz HSYFZBQSPODMIG-UTUOFQBUSA-N 1 1 282.344 1.273 20 5 CDBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000490296203 253033781 /nfs/dbraw/zinc/03/37/81/253033781.db2.gz DCJYZCMJOKPROA-NSHDSACASA-N 1 1 280.328 1.335 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000285468439 390820498 /nfs/dbraw/zinc/82/04/98/390820498.db2.gz ZZOCPGCGDPOWPG-LBPRGKRZSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265178806 391157479 /nfs/dbraw/zinc/15/74/79/391157479.db2.gz DGNQZWFBFCIYQD-UHFFFAOYSA-N 1 1 293.367 1.878 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067741 391232830 /nfs/dbraw/zinc/23/28/30/391232830.db2.gz NXXYQKOQBCFNTJ-DTWKUNHWSA-N 1 1 295.368 1.833 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450440 391515931 /nfs/dbraw/zinc/51/59/31/391515931.db2.gz JEZVAZUPWZIRBM-VIFPVBQESA-N 1 1 275.312 1.611 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261410 391570756 /nfs/dbraw/zinc/57/07/56/391570756.db2.gz PNCZZPOOUKLYHX-ZDUSSCGKSA-N 1 1 279.296 1.356 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354004488 391733739 /nfs/dbraw/zinc/73/37/39/391733739.db2.gz BTLFSUYXFHPCPE-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297274075 391858627 /nfs/dbraw/zinc/85/86/27/391858627.db2.gz WZFRYFHLCHICOX-UHFFFAOYSA-N 1 1 265.317 1.225 20 5 CDBDMO CC(C)[C@H](N)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272228 392960764 /nfs/dbraw/zinc/96/07/64/392960764.db2.gz JRILOSJISQLJAI-AGIUHOORSA-N 1 1 295.387 1.848 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000527183755 392975483 /nfs/dbraw/zinc/97/54/83/392975483.db2.gz UZZRBHRWKDJCHJ-GFCCVEGCSA-N 1 1 277.324 1.205 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)O ZINC000430206154 393093523 /nfs/dbraw/zinc/09/35/23/393093523.db2.gz KBARMDUGKKYWKC-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@](CN)([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555542 393101239 /nfs/dbraw/zinc/10/12/39/393101239.db2.gz IVXUHQXHDBFFAC-CQSZACIVSA-N 1 1 279.340 1.691 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@@H]1C ZINC000487981020 393378969 /nfs/dbraw/zinc/37/89/69/393378969.db2.gz MRPSUOAQUSEDKH-QWHCGFSZSA-N 1 1 296.371 1.928 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000275623398 135110857 /nfs/dbraw/zinc/11/08/57/135110857.db2.gz VDPMZCXDYQGZEW-GFCCVEGCSA-N 1 1 293.367 1.876 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744935 398133501 /nfs/dbraw/zinc/13/35/01/398133501.db2.gz AJKAOAVQKFDZSW-JQWIXIFHSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343429979 152171605 /nfs/dbraw/zinc/17/16/05/152171605.db2.gz IAEXELWHMKPKLK-BXUZGUMPSA-N 1 1 291.351 1.736 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679390 155358316 /nfs/dbraw/zinc/35/83/16/155358316.db2.gz ZRPWMUOOLUCUKQ-AAEUAGOBSA-N 1 1 280.324 1.949 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348967888 154017189 /nfs/dbraw/zinc/01/71/89/154017189.db2.gz WNRCFZSQLZYNRA-LLVKDONJSA-N 1 1 280.328 1.335 20 5 CDBDMO CCC[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355582108 157129661 /nfs/dbraw/zinc/12/96/61/157129661.db2.gz JXDDJASZYZZGHX-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357620621 157779735 /nfs/dbraw/zinc/77/97/35/157779735.db2.gz LFETVHHUQYTXPP-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO C[N@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000361969232 159027480 /nfs/dbraw/zinc/02/74/80/159027480.db2.gz AHHYJBXGSKCRDY-MRVPVSSYSA-N 1 1 271.704 1.362 20 5 CDBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[C@H](C)C1 ZINC000362150553 159085020 /nfs/dbraw/zinc/08/50/20/159085020.db2.gz PTEXWUXCQAGQAP-NWDGAFQWSA-N 1 1 296.371 1.965 20 5 CDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[C@H](C)C1 ZINC000362150553 159085022 /nfs/dbraw/zinc/08/50/22/159085022.db2.gz PTEXWUXCQAGQAP-NWDGAFQWSA-N 1 1 296.371 1.965 20 5 CDBDMO C[C@@H]1CC2(CN1Cc1c([N+](=O)[O-])ncn1C)CC[NH2+]CC2 ZINC000424298044 287237491 /nfs/dbraw/zinc/23/74/91/287237491.db2.gz TUNPVIQIXHIMBQ-LLVKDONJSA-N 1 1 293.371 1.292 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000285321800 196250804 /nfs/dbraw/zinc/25/08/04/196250804.db2.gz NBNIGCINWSJBAQ-UHFFFAOYSA-N 1 1 274.324 1.966 20 5 CDBDMO Cc1c(C[N@H+](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000285511298 196309184 /nfs/dbraw/zinc/30/91/84/196309184.db2.gz NNKJGBHQPVAREZ-UHFFFAOYSA-N 1 1 250.298 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csnn2)cc1 ZINC000040675977 174373362 /nfs/dbraw/zinc/37/33/62/174373362.db2.gz DJPLHYGPDHZVTQ-UHFFFAOYSA-N 1 1 264.310 1.779 20 5 CDBDMO Cc1c(C[N@@H+](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000071900809 176294146 /nfs/dbraw/zinc/29/41/46/176294146.db2.gz VGRMLJNJSVHZRM-UHFFFAOYSA-N 1 1 293.367 1.667 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429572000 274311628 /nfs/dbraw/zinc/31/16/28/274311628.db2.gz YJKJPVNVICOMRJ-VXGBXAGGSA-N 1 1 279.340 1.877 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(N)=O ZINC000347355966 275398310 /nfs/dbraw/zinc/39/83/10/275398310.db2.gz JXCQGOWSFUPJDJ-POHAHGRESA-N 1 1 263.297 1.415 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(N)=O ZINC000347355966 275398311 /nfs/dbraw/zinc/39/83/11/275398311.db2.gz JXCQGOWSFUPJDJ-POHAHGRESA-N 1 1 263.297 1.415 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000278654254 277199299 /nfs/dbraw/zinc/19/92/99/277199299.db2.gz DUTOEWPTHYMTKL-AOOOYVTPSA-N 1 1 265.288 1.732 20 5 CDBDMO CO[C@@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298072779 277623652 /nfs/dbraw/zinc/62/36/52/277623652.db2.gz LCQGHLNPEWDUJW-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000408072580 288032263 /nfs/dbraw/zinc/03/22/63/288032263.db2.gz NTIPZPNXAFAKNW-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000408072580 288032266 /nfs/dbraw/zinc/03/22/66/288032266.db2.gz NTIPZPNXAFAKNW-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000193581641 280003258 /nfs/dbraw/zinc/00/32/58/280003258.db2.gz DSBDHPRTNZKHLX-QPUJVOFHSA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956676 280397655 /nfs/dbraw/zinc/39/76/55/280397655.db2.gz QIYFIGWYJIMCSQ-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1cccc(C(=O)NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000101955649 281193700 /nfs/dbraw/zinc/19/37/00/281193700.db2.gz KGOHZNGFZZDALB-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614986 281226966 /nfs/dbraw/zinc/22/69/66/281226966.db2.gz DXXVZJQMPPSBIM-ZJUUUORDSA-N 1 1 252.318 1.949 20 5 CDBDMO CC1(C)CC[N@@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000553026544 290090758 /nfs/dbraw/zinc/09/07/58/290090758.db2.gz RCLMTYYLYOWVAO-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO O=C1NCC[C@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349248 316260479 /nfs/dbraw/zinc/26/04/79/316260479.db2.gz FSDAVTVXHDIAFE-LBPRGKRZSA-N 1 1 289.335 1.479 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130480 323382893 /nfs/dbraw/zinc/38/28/93/323382893.db2.gz PJEKVZPDGHATNH-JTQLQIEISA-N 1 1 297.330 1.905 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021864 324086366 /nfs/dbraw/zinc/08/63/66/324086366.db2.gz IVORNVCJTAWZQA-HNNXBMFYSA-N 1 1 295.383 1.382 20 5 CDBDMO CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754370357 1159189915 /nfs/dbraw/zinc/18/99/15/1159189915.db2.gz ABHLVULXBCIRDP-VXGBXAGGSA-N 1 1 285.388 1.526 20 5 CDBDMO CC[N@@H+](CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC000184540665 521118710 /nfs/dbraw/zinc/11/87/10/521118710.db2.gz BVJAAOHCLMAIAL-UHFFFAOYSA-N 1 1 273.358 1.060 20 5 CDBDMO CCN(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000184540665 521118714 /nfs/dbraw/zinc/11/87/14/521118714.db2.gz BVJAAOHCLMAIAL-UHFFFAOYSA-N 1 1 273.358 1.060 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049480653 521486039 /nfs/dbraw/zinc/48/60/39/521486039.db2.gz VYTLPIXMRBFDSZ-UHFFFAOYSA-N 1 1 251.286 1.875 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@@H+](C)C1CC1 ZINC000184369800 524714643 /nfs/dbraw/zinc/71/46/43/524714643.db2.gz WJYYUDHNFVCOOI-VIFPVBQESA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000125253125 527386618 /nfs/dbraw/zinc/38/66/18/527386618.db2.gz GCMFZXXKVSYUAM-YUTCNCBUSA-N 1 1 262.309 1.798 20 5 CDBDMO CCC[N@H+](CC)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272484725 527975000 /nfs/dbraw/zinc/97/50/00/527975000.db2.gz AEYPREDTADWELW-UHFFFAOYSA-N 1 1 295.339 1.762 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272484725 527975002 /nfs/dbraw/zinc/97/50/02/527975002.db2.gz AEYPREDTADWELW-UHFFFAOYSA-N 1 1 295.339 1.762 20 5 CDBDMO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000741750455 576570916 /nfs/dbraw/zinc/57/09/16/576570916.db2.gz VNPDLIFINYQJLZ-LLVKDONJSA-N 1 1 289.339 1.773 20 5 CDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000748498635 576915251 /nfs/dbraw/zinc/91/52/51/576915251.db2.gz ANHZUIAVYCSXEE-UHFFFAOYSA-N 1 1 294.307 1.474 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799281 576963475 /nfs/dbraw/zinc/96/34/75/576963475.db2.gz WDLMXTUVJYGMLU-CHWSQXEVSA-N 1 1 294.355 1.724 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000753092639 577145086 /nfs/dbraw/zinc/14/50/86/577145086.db2.gz FQAMTVKJPRTROA-JTQLQIEISA-N 1 1 295.314 1.724 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCOCC1 ZINC000891408023 617385773 /nfs/dbraw/zinc/38/57/73/617385773.db2.gz FGFHCXKRDXARJP-UHFFFAOYSA-N 1 1 296.327 1.133 20 5 CDBDMO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000963792431 614144445 /nfs/dbraw/zinc/14/44/45/614144445.db2.gz YBRNCUPXOLJINV-UBDGZGRMSA-N 1 1 295.383 1.325 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000892093580 617478214 /nfs/dbraw/zinc/47/82/14/617478214.db2.gz MJDHFPUKEWMONO-AWEZNQCLSA-N 1 1 296.323 1.656 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000892093580 617478217 /nfs/dbraw/zinc/47/82/17/617478217.db2.gz MJDHFPUKEWMONO-AWEZNQCLSA-N 1 1 296.323 1.656 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000891693013 617541662 /nfs/dbraw/zinc/54/16/62/617541662.db2.gz VWJPRNQXJHDQLU-LLVKDONJSA-N 1 1 296.323 1.920 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000891693013 617541666 /nfs/dbraw/zinc/54/16/66/617541666.db2.gz VWJPRNQXJHDQLU-LLVKDONJSA-N 1 1 296.323 1.920 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000893871296 618114140 /nfs/dbraw/zinc/11/41/40/618114140.db2.gz JENKVCTWVWDNLF-GPAKFWEMSA-N 1 1 289.335 1.818 20 5 CDBDMO Cc1cc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000893940336 618204123 /nfs/dbraw/zinc/20/41/23/618204123.db2.gz MVXLZKUUIRJNAO-ZYHUDNBSSA-N 1 1 262.313 1.439 20 5 CDBDMO Cc1nn(C[NH+]2CCC3(CCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000799957190 618400730 /nfs/dbraw/zinc/40/07/30/618400730.db2.gz CNGQWKAZLHARNO-UHFFFAOYSA-N 1 1 280.328 1.621 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc2nonc2c1[N+](=O)[O-] ZINC000894247487 618752988 /nfs/dbraw/zinc/75/29/88/618752988.db2.gz GEFVAPFOEYIRHI-SECBINFHSA-N 1 1 291.311 1.661 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675222 618824149 /nfs/dbraw/zinc/82/41/49/618824149.db2.gz VAJFHQLAIJDRLD-IJLUTSLNSA-N 1 1 270.329 1.458 20 5 CDBDMO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840675222 618824152 /nfs/dbraw/zinc/82/41/52/618824152.db2.gz VAJFHQLAIJDRLD-IJLUTSLNSA-N 1 1 270.329 1.458 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840675222 618824154 /nfs/dbraw/zinc/82/41/54/618824154.db2.gz VAJFHQLAIJDRLD-IJLUTSLNSA-N 1 1 270.329 1.458 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)cc1Cl ZINC000928556653 619367223 /nfs/dbraw/zinc/36/72/23/619367223.db2.gz UJVIVWJHHLCXOQ-VIFPVBQESA-N 1 1 297.742 1.991 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1Cl ZINC000928556653 619367225 /nfs/dbraw/zinc/36/72/25/619367225.db2.gz UJVIVWJHHLCXOQ-VIFPVBQESA-N 1 1 297.742 1.991 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905062208 626611521 /nfs/dbraw/zinc/61/15/21/626611521.db2.gz LFLYXCRCRMLXKU-TXEJJXNPSA-N 1 1 257.378 1.609 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000905275485 626730616 /nfs/dbraw/zinc/73/06/16/626730616.db2.gz RVRVSVSGFIFVJW-UHFFFAOYSA-N 1 1 280.715 1.892 20 5 CDBDMO Cc1nn(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000793744459 1162442199 /nfs/dbraw/zinc/44/21/99/1162442199.db2.gz LTJHWQZKHRWCGC-CQSZACIVSA-N 1 1 293.371 1.393 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000804460951 1162478091 /nfs/dbraw/zinc/47/80/91/1162478091.db2.gz BVAXNQRIGBPVNI-NSHDSACASA-N 1 1 278.356 1.955 20 5 CDBDMO C[C@H](NCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500345 1162056436 /nfs/dbraw/zinc/05/64/36/1162056436.db2.gz ASNDRVUTEQJRRU-NSHDSACASA-N 1 1 278.356 1.923 20 5 CDBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000865465835 1164650765 /nfs/dbraw/zinc/65/07/65/1164650765.db2.gz KYIKOWFKAYJERB-JTQLQIEISA-N 1 1 295.314 1.875 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCC(N)=O ZINC000877520538 1166052083 /nfs/dbraw/zinc/05/20/83/1166052083.db2.gz AJMXSZPLPHCYNB-UHFFFAOYSA-N 1 1 265.313 1.519 20 5 CDBDMO C[C@@]([NH3+])(C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001576085333 1171330143 /nfs/dbraw/zinc/33/01/43/1171330143.db2.gz KHNBNUWAVKQSNE-ZDUSSCGKSA-N 1 1 287.279 1.197 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387347 1164412209 /nfs/dbraw/zinc/41/22/09/1164412209.db2.gz PJAPPELMRQZUOA-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO O=[N+]([O-])c1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165035861 721901330 /nfs/dbraw/zinc/90/13/30/721901330.db2.gz DPIDZOBSZVOMLS-CYBMUJFWSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000158639531 813381559 /nfs/dbraw/zinc/38/15/59/813381559.db2.gz AKUHHYZSNSDUCI-BXKDBHETSA-N 1 1 291.311 1.108 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1[N+](=O)[O-] ZINC000886636856 805083734 /nfs/dbraw/zinc/08/37/34/805083734.db2.gz WTYOBRLHDQMWFH-DGCLKSJQSA-N 1 1 281.312 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1[N+](=O)[O-] ZINC000886636856 805083746 /nfs/dbraw/zinc/08/37/46/805083746.db2.gz WTYOBRLHDQMWFH-DGCLKSJQSA-N 1 1 281.312 1.628 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279845 805334526 /nfs/dbraw/zinc/33/45/26/805334526.db2.gz YIGKCOGPZFAXKK-ZWNOBZJWSA-N 1 1 268.313 1.331 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000886005684 811340163 /nfs/dbraw/zinc/34/01/63/811340163.db2.gz HXJBABWGMKPVPL-CYBMUJFWSA-N 1 1 276.340 1.658 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632863 811344180 /nfs/dbraw/zinc/34/41/80/811344180.db2.gz LXZILBGCRXRJAZ-SMDDNHRTSA-N 1 1 278.308 1.288 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064099 811711302 /nfs/dbraw/zinc/71/13/02/811711302.db2.gz WIBFAZQXKJAESY-XJFOESAGSA-N 1 1 295.383 1.469 20 5 CDBDMO CC(C)(CCc1noc(-c2csc(C[NH3+])n2)n1)[N+](=O)[O-] ZINC000843233367 811869555 /nfs/dbraw/zinc/86/95/55/811869555.db2.gz IICSWTUQVPEPDP-UHFFFAOYSA-N 1 1 297.340 1.640 20 5 CDBDMO C[N@@H+](CCO)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000884824307 811871232 /nfs/dbraw/zinc/87/12/32/811871232.db2.gz VMEURVXTCAKSNV-UHFFFAOYSA-N 1 1 273.720 1.584 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000840092388 812691800 /nfs/dbraw/zinc/69/18/00/812691800.db2.gz VGXZTGVJRPHJRN-LLVKDONJSA-N 1 1 267.333 1.083 20 5 CDBDMO CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437183 812816624 /nfs/dbraw/zinc/81/66/24/812816624.db2.gz HOGHZDGGRQFYGX-VXGBXAGGSA-N 1 1 283.372 1.278 20 5 CDBDMO CCn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000849329737 812845258 /nfs/dbraw/zinc/84/52/58/812845258.db2.gz UXFGYRFWJLCMNX-ZDUSSCGKSA-N 1 1 291.311 1.029 20 5 CDBDMO C[C@H]1CCN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000840064649 812909453 /nfs/dbraw/zinc/90/94/53/812909453.db2.gz NSWQIQLLSJGEKG-LBPRGKRZSA-N 1 1 291.351 1.895 20 5 CDBDMO C[C@H]1CCN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000840064649 812909460 /nfs/dbraw/zinc/90/94/60/812909460.db2.gz NSWQIQLLSJGEKG-LBPRGKRZSA-N 1 1 291.351 1.895 20 5 CDBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000925383030 813011658 /nfs/dbraw/zinc/01/16/58/813011658.db2.gz QABFUWNRHBINPN-JTQLQIEISA-N 1 1 291.311 1.453 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000872771055 813021592 /nfs/dbraw/zinc/02/15/92/813021592.db2.gz DNAOYFRUDYIUSZ-LLVKDONJSA-N 1 1 280.328 1.513 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000872771055 813021600 /nfs/dbraw/zinc/02/16/00/813021600.db2.gz DNAOYFRUDYIUSZ-LLVKDONJSA-N 1 1 280.328 1.513 20 5 CDBDMO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC000933183891 813257076 /nfs/dbraw/zinc/25/70/76/813257076.db2.gz AGWWVQVFFQMNOW-UHFFFAOYSA-N 1 1 298.343 1.373 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC000933183891 813257101 /nfs/dbraw/zinc/25/71/01/813257101.db2.gz AGWWVQVFFQMNOW-UHFFFAOYSA-N 1 1 298.343 1.373 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886216174 813338126 /nfs/dbraw/zinc/33/81/26/813338126.db2.gz YOBIZMFKPFXBOL-PWSUYJOCSA-N 1 1 262.313 1.126 20 5 CDBDMO CCNC(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439755 813591789 /nfs/dbraw/zinc/59/17/89/813591789.db2.gz CMNLPJWJYKJGSY-UHFFFAOYSA-N 1 1 271.704 1.474 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887939308 813838859 /nfs/dbraw/zinc/83/88/59/813838859.db2.gz YWXNZBYPZCSHIN-DOMZBBRYSA-N 1 1 289.335 1.619 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138987 813873888 /nfs/dbraw/zinc/87/38/88/813873888.db2.gz LGRRIQLCPDJOFX-AAVRWANBSA-N 1 1 289.335 1.089 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000778273302 814003027 /nfs/dbraw/zinc/00/30/27/814003027.db2.gz YMFYHYUZWIBWQR-JSGCOSHPSA-N 1 1 280.324 1.475 20 5 CDBDMO CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000883418083 814033336 /nfs/dbraw/zinc/03/33/36/814033336.db2.gz WOHOULNQTDWTAI-UHFFFAOYSA-N 1 1 267.333 1.030 20 5 CDBDMO CC1CC[NH+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839535816 814533379 /nfs/dbraw/zinc/53/33/79/814533379.db2.gz IIAAITFREITFIX-CHWSQXEVSA-N 1 1 283.372 1.280 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865883851 814629374 /nfs/dbraw/zinc/62/93/74/814629374.db2.gz NORCEUCMOPFSNO-NSHDSACASA-N 1 1 297.330 1.757 20 5 CDBDMO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774635 816805210 /nfs/dbraw/zinc/80/52/10/816805210.db2.gz ULNPOVGRANVCNT-UHFFFAOYSA-N 1 1 295.314 1.964 20 5 CDBDMO NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774635 816805212 /nfs/dbraw/zinc/80/52/12/816805212.db2.gz ULNPOVGRANVCNT-UHFFFAOYSA-N 1 1 295.314 1.964 20 5 CDBDMO Cc1cc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])s1 ZINC000853373495 816955140 /nfs/dbraw/zinc/95/51/40/816955140.db2.gz XUALIPOQNWBDND-UHFFFAOYSA-N 1 1 299.396 1.859 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000886081845 816993057 /nfs/dbraw/zinc/99/30/57/816993057.db2.gz ZHYSAVPZUZPKHN-MRXNPFEDSA-N 1 1 299.330 1.913 20 5 CDBDMO Cn1nccc1[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000800859192 817107730 /nfs/dbraw/zinc/10/77/30/817107730.db2.gz SFNGNSUGMMRCBU-NSHDSACASA-N 1 1 290.327 1.362 20 5 CDBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000800859192 817107735 /nfs/dbraw/zinc/10/77/35/817107735.db2.gz SFNGNSUGMMRCBU-NSHDSACASA-N 1 1 290.327 1.362 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877763608 817155266 /nfs/dbraw/zinc/15/52/66/817155266.db2.gz DIGLVVXOOSVJLQ-BETUJISGSA-N 1 1 294.351 1.244 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000929232390 817294718 /nfs/dbraw/zinc/29/47/18/817294718.db2.gz CELRHSZBPMWUHW-UHFFFAOYSA-N 1 1 252.270 1.166 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000929232390 817294729 /nfs/dbraw/zinc/29/47/29/817294729.db2.gz CELRHSZBPMWUHW-UHFFFAOYSA-N 1 1 252.270 1.166 20 5 CDBDMO Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000819899008 817439297 /nfs/dbraw/zinc/43/92/97/817439297.db2.gz GTXYAMOGLBPFHE-LBPRGKRZSA-N 1 1 290.323 1.742 20 5 CDBDMO Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000819899008 817439322 /nfs/dbraw/zinc/43/93/22/817439322.db2.gz GTXYAMOGLBPFHE-LBPRGKRZSA-N 1 1 290.323 1.742 20 5 CDBDMO Cc1nc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000889424139 817640910 /nfs/dbraw/zinc/64/09/10/817640910.db2.gz OTXOFONRLWXRDL-ONGXEEELSA-N 1 1 292.339 1.967 20 5 CDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821323061 817821465 /nfs/dbraw/zinc/82/14/65/817821465.db2.gz PXDFVDJQAXOSDZ-OKILXGFUSA-N 1 1 289.335 1.505 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851800042 817844004 /nfs/dbraw/zinc/84/40/04/817844004.db2.gz WPQDBYDZWQEOHM-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000851800042 817844005 /nfs/dbraw/zinc/84/40/05/817844005.db2.gz WPQDBYDZWQEOHM-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO COC(=O)CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000112959063 817915675 /nfs/dbraw/zinc/91/56/75/817915675.db2.gz LEFIMGIYPIZSTQ-UHFFFAOYSA-N 1 1 298.343 1.639 20 5 CDBDMO COC(=O)CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000112959063 817915693 /nfs/dbraw/zinc/91/56/93/817915693.db2.gz LEFIMGIYPIZSTQ-UHFFFAOYSA-N 1 1 298.343 1.639 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001173225056 912316583 /nfs/dbraw/zinc/31/65/83/912316583.db2.gz BDJNBCKMCZHNRM-SMDDNHRTSA-N 1 1 291.351 1.866 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCc2[nH+]ccn2CC1 ZINC001167178257 894813534 /nfs/dbraw/zinc/81/35/34/894813534.db2.gz PZDBASGJRNIWND-UHFFFAOYSA-N 1 1 293.714 1.902 20 5 CDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NC1C[NH+](C(C)C)C1 ZINC001168317687 909000388 /nfs/dbraw/zinc/00/03/88/909000388.db2.gz RUDWAHODQXZVJF-UHFFFAOYSA-N 1 1 294.311 1.281 20 5 CDBDMO C[N@@H+](C[C@H](O)CO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904910 912037739 /nfs/dbraw/zinc/03/77/39/912037739.db2.gz PMESAVXSWIMOMB-ZFWWWQNUSA-N 1 1 294.351 1.127 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3ncccc3C2)C1 ZINC001169034529 927641181 /nfs/dbraw/zinc/64/11/81/927641181.db2.gz HKBXNNWRIFSLDO-AAEUAGOBSA-N 1 1 261.325 1.885 20 5 CDBDMO CCN(CC)[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036494 927644470 /nfs/dbraw/zinc/64/44/70/927644470.db2.gz GBSHLYWVUQCONX-MELADBBJSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[NH+](CC)[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036494 927644474 /nfs/dbraw/zinc/64/44/74/927644474.db2.gz GBSHLYWVUQCONX-MELADBBJSA-N 1 1 269.389 1.848 20 5 CDBDMO CN(C)C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037697 927647770 /nfs/dbraw/zinc/64/77/70/927647770.db2.gz SWITWOLAJCSDHV-AVGNSLFASA-N 1 1 255.362 1.458 20 5 CDBDMO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169040243 927653572 /nfs/dbraw/zinc/65/35/72/927653572.db2.gz ZBGOGPPVEKEVJZ-YNEHKIRRSA-N 1 1 254.330 1.733 20 5 CDBDMO COC[C@]12COC[C@H]1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018907 927659949 /nfs/dbraw/zinc/65/99/49/927659949.db2.gz DHZSSMHDVGRRLU-YIYPIFLZSA-N 1 1 284.356 1.027 20 5 CDBDMO CN[C@H]1CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156660966 928899202 /nfs/dbraw/zinc/89/92/02/928899202.db2.gz VWXLLIDKNPWDKY-FVOPLDGLSA-N 1 1 277.328 1.278 20 5 CDBDMO O=C(NCC1([NH2+]CC2CC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530765 937390606 /nfs/dbraw/zinc/39/06/06/937390606.db2.gz QDVZQKBZMUJZCV-CHWSQXEVSA-N 1 1 295.383 1.470 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001159743208 930780812 /nfs/dbraw/zinc/78/08/12/930780812.db2.gz GWLDGOWAXHECJG-CYBMUJFWSA-N 1 1 276.296 1.612 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CO ZINC000886295719 930851977 /nfs/dbraw/zinc/85/19/77/930851977.db2.gz IMJKWHOYMUPTOR-JQWIXIFHSA-N 1 1 265.313 1.440 20 5 CDBDMO C[C@@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC001119376142 937714547 /nfs/dbraw/zinc/71/45/47/937714547.db2.gz XQLLFNJMFQKELY-CYBMUJFWSA-N 1 1 286.278 1.969 20 5 CDBDMO C[C@@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC001119376142 937714549 /nfs/dbraw/zinc/71/45/49/937714549.db2.gz XQLLFNJMFQKELY-CYBMUJFWSA-N 1 1 286.278 1.969 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001156638173 938399093 /nfs/dbraw/zinc/39/90/93/938399093.db2.gz KDGKKAHHMDVWFS-LURJTMIESA-N 1 1 257.681 1.102 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259713 938470503 /nfs/dbraw/zinc/47/05/03/938470503.db2.gz FSDQAQRPNISPLK-CMPLNLGQSA-N 1 1 262.313 1.520 20 5 CDBDMO 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20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105822113 186074016 /nfs/dbraw/zinc/07/40/16/186074016.db2.gz JEPNYSKEITYARJ-CHWSQXEVSA-N 1 1 293.367 1.482 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849875 186277247 /nfs/dbraw/zinc/27/72/47/186277247.db2.gz IKRZLUYVIJZYGJ-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292047211 198144518 /nfs/dbraw/zinc/14/45/18/198144518.db2.gz BGSODHMODLFXRM-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637834 192240289 /nfs/dbraw/zinc/24/02/89/192240289.db2.gz RLDSCKADRWKGKA-SNVBAGLBSA-N 1 1 265.317 1.163 20 5 CDBDMO CCc1[nH+]ccn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182256962 357425735 /nfs/dbraw/zinc/42/57/35/357425735.db2.gz RDSCQSBWLHHATB-LLVKDONJSA-N 1 1 291.307 1.794 20 5 CDBDMO C[C@H](NC1CC[NH+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283933705 357621250 /nfs/dbraw/zinc/62/12/50/357621250.db2.gz FCPZAIVYBBQINR-JTQLQIEISA-N 1 1 278.356 1.922 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361016506 357773671 /nfs/dbraw/zinc/77/36/71/357773671.db2.gz IMULDOJRGPWTPR-JPVGGKMYSA-N 1 1 250.298 1.921 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)OC ZINC000361572437 358325699 /nfs/dbraw/zinc/32/56/99/358325699.db2.gz DLESSXPVVRRSGJ-SNVBAGLBSA-N 1 1 256.306 1.148 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000291250952 358901637 /nfs/dbraw/zinc/90/16/37/358901637.db2.gz NWINCQYCDWXZEZ-MRVPVSSYSA-N 1 1 265.269 1.549 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1O ZINC000339061700 359283510 /nfs/dbraw/zinc/28/35/10/359283510.db2.gz PHSQRDIHABAIPA-PRHODGIISA-N 1 1 252.270 1.113 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@@H]21 ZINC000408338065 359467635 /nfs/dbraw/zinc/46/76/35/359467635.db2.gz ISDLTZGAKPCEGT-MFKMUULPSA-N 1 1 292.339 1.479 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762677 359585396 /nfs/dbraw/zinc/58/53/96/359585396.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 1 1 293.371 1.348 20 5 CDBDMO Cc1nc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332688 200152261 /nfs/dbraw/zinc/15/22/61/200152261.db2.gz AHUZFPIITIZRAM-KCJUWKMLSA-N 1 1 277.328 1.588 20 5 CDBDMO COc1ccc(OCC[N@@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000173525588 237346345 /nfs/dbraw/zinc/34/63/45/237346345.db2.gz IAVVYNNDYRUPCX-UHFFFAOYSA-N 1 1 296.323 1.439 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000159462019 359945133 /nfs/dbraw/zinc/94/51/33/359945133.db2.gz CWPIQSCKCZWOPY-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCC[C@H]1O)CC2 ZINC000572164316 359949292 /nfs/dbraw/zinc/94/92/92/359949292.db2.gz ZTODOXKWBVINPA-XHDPSFHLSA-N 1 1 291.351 1.899 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@H]1O)CC2 ZINC000572164316 359949294 /nfs/dbraw/zinc/94/92/94/359949294.db2.gz ZTODOXKWBVINPA-XHDPSFHLSA-N 1 1 291.351 1.899 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000277878903 366675325 /nfs/dbraw/zinc/67/53/25/366675325.db2.gz VXKQJGUYIAHHII-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000177870897 189075114 /nfs/dbraw/zinc/07/51/14/189075114.db2.gz HDCCITJMKFEXKL-NXEZZACHSA-N 1 1 277.324 1.924 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000178234803 189099480 /nfs/dbraw/zinc/09/94/80/189099480.db2.gz XSOLICQHYFCHQU-LLVKDONJSA-N 1 1 294.355 1.678 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CO)C3)nc2c1 ZINC000267560359 361054408 /nfs/dbraw/zinc/05/44/08/361054408.db2.gz HBCRICVIRZZBGE-JTQLQIEISA-N 1 1 291.307 1.940 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CO)C3)nc2c1 ZINC000267560359 361054415 /nfs/dbraw/zinc/05/44/15/361054415.db2.gz HBCRICVIRZZBGE-JTQLQIEISA-N 1 1 291.307 1.940 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000168400780 361180699 /nfs/dbraw/zinc/18/06/99/361180699.db2.gz LSBOADPEWUXZLL-GHMZBOCLSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000545398693 364073664 /nfs/dbraw/zinc/07/36/64/364073664.db2.gz ZFTVGOWAKNPZAO-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000546104637 365203947 /nfs/dbraw/zinc/20/39/47/365203947.db2.gz MFJHBHRLOZWIER-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)C2CCC2)cc1 ZINC000275791070 193128392 /nfs/dbraw/zinc/12/83/92/193128392.db2.gz DSQHDJZLVACGBY-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944240 366947516 /nfs/dbraw/zinc/94/75/16/366947516.db2.gz RXUNTRXKNSYZPN-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258578 367570335 /nfs/dbraw/zinc/57/03/35/367570335.db2.gz ZPZYGOKGKHWGQD-DGCLKSJQSA-N 1 1 276.340 1.829 20 5 CDBDMO C[NH+](C)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCCC1 ZINC000047297921 412769564 /nfs/dbraw/zinc/76/95/64/412769564.db2.gz NIQUDOVSXCLPFR-VXGBXAGGSA-N 1 1 283.372 1.422 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441249797 368793204 /nfs/dbraw/zinc/79/32/04/368793204.db2.gz PARFOYWUMNETTH-AWEZNQCLSA-N 1 1 294.351 1.957 20 5 CDBDMO CCC[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441272669 368887544 /nfs/dbraw/zinc/88/75/44/368887544.db2.gz AOYDWPCPNRDFSF-CYBMUJFWSA-N 1 1 284.360 1.520 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330672379 203102674 /nfs/dbraw/zinc/10/26/74/203102674.db2.gz NSITVNSHEOMURZ-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330672379 203102676 /nfs/dbraw/zinc/10/26/76/203102676.db2.gz NSITVNSHEOMURZ-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO CC1(C)C[NH2+]CC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420353866 244130446 /nfs/dbraw/zinc/13/04/46/244130446.db2.gz CGEVVRKTOGZYJL-CQSZACIVSA-N 1 1 293.367 1.951 20 5 CDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382711 244179638 /nfs/dbraw/zinc/17/96/38/244179638.db2.gz ZYCRCCMGEYHTSG-JMSVASOKSA-N 1 1 293.367 1.950 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000356765595 373055634 /nfs/dbraw/zinc/05/56/34/373055634.db2.gz KXJKXYALYFUWFT-JTQLQIEISA-N 1 1 282.344 1.392 20 5 CDBDMO Cc1cc(=O)n(C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187694699 373222266 /nfs/dbraw/zinc/22/22/66/373222266.db2.gz WCNHXMDMFJKIOL-SNVBAGLBSA-N 1 1 251.286 1.017 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000094659431 374035934 /nfs/dbraw/zinc/03/59/34/374035934.db2.gz XOBSPIPUCFTSRK-UHFFFAOYSA-N 1 1 292.339 1.265 20 5 CDBDMO CC[N@@H+](CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000266581976 374086057 /nfs/dbraw/zinc/08/60/57/374086057.db2.gz RLCDAVWRQBHYBR-UHFFFAOYSA-N 1 1 268.313 1.678 20 5 CDBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311671396 374263363 /nfs/dbraw/zinc/26/33/63/374263363.db2.gz HXEUSINNDSXCLV-VIFPVBQESA-N 1 1 267.260 1.041 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356882710 374419353 /nfs/dbraw/zinc/41/93/53/374419353.db2.gz PTENCNJWVOAYHV-VXGBXAGGSA-N 1 1 291.351 1.688 20 5 CDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331408768 374950653 /nfs/dbraw/zinc/95/06/53/374950653.db2.gz QWYKQXNTIARGEE-LBPRGKRZSA-N 1 1 289.335 1.490 20 5 CDBDMO C[N@@H+](CCCCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760052 374957824 /nfs/dbraw/zinc/95/78/24/374957824.db2.gz RISNFFVCYKATMP-AWEZNQCLSA-N 1 1 282.340 1.723 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280300778 374990378 /nfs/dbraw/zinc/99/03/78/374990378.db2.gz OXVPZNHJUROANI-WFASDCNBSA-N 1 1 292.335 1.975 20 5 CDBDMO 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O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000754787338 576915523 /nfs/dbraw/zinc/91/55/23/576915523.db2.gz WXNNZBIHVGYDKE-LBPRGKRZSA-N 1 1 280.328 1.497 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCF)C2)nc1 ZINC000759341085 577171256 /nfs/dbraw/zinc/17/12/56/577171256.db2.gz CHHCMIISIGBJRY-VIFPVBQESA-N 1 1 254.265 1.446 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCF)C2)nc1 ZINC000759341085 577171257 /nfs/dbraw/zinc/17/12/57/577171257.db2.gz CHHCMIISIGBJRY-VIFPVBQESA-N 1 1 254.265 1.446 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932528352 617325536 /nfs/dbraw/zinc/32/55/36/617325536.db2.gz CTGBJKFBWDDIKA-OAHLLOKOSA-N 1 1 287.319 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCn3cccc3C2)cc1 ZINC000932528352 617325537 /nfs/dbraw/zinc/32/55/37/617325537.db2.gz CTGBJKFBWDDIKA-OAHLLOKOSA-N 1 1 287.319 1.946 20 5 CDBDMO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893007033 618051901 /nfs/dbraw/zinc/05/19/01/618051901.db2.gz FTKAHWIKHSNQMX-YVECIDJPSA-N 1 1 283.372 1.373 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893934239 618193361 /nfs/dbraw/zinc/19/33/61/618193361.db2.gz GGYZTUAISVYMBH-RNCFNFMXSA-N 1 1 265.288 1.874 20 5 CDBDMO Cc1nc(N[C@H](C)[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245968 619492383 /nfs/dbraw/zinc/49/23/83/619492383.db2.gz KSAMRHORHAZNOH-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895245968 619492386 /nfs/dbraw/zinc/49/23/86/619492386.db2.gz KSAMRHORHAZNOH-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895245968 619492389 /nfs/dbraw/zinc/49/23/89/619492389.db2.gz KSAMRHORHAZNOH-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cnc(OC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000917148813 632164623 /nfs/dbraw/zinc/16/46/23/632164623.db2.gz FWNMWCCHPVGJHB-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001604807816 1163334086 /nfs/dbraw/zinc/33/40/86/1163334086.db2.gz VLPDBSAHMNQHHJ-UHFFFAOYSA-N 1 1 274.284 1.369 20 5 CDBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC001604807816 1163334094 /nfs/dbraw/zinc/33/40/94/1163334094.db2.gz VLPDBSAHMNQHHJ-UHFFFAOYSA-N 1 1 274.284 1.369 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195205 1167456342 /nfs/dbraw/zinc/45/63/42/1167456342.db2.gz MOSDHLRSAHENKE-SNVBAGLBSA-N 1 1 278.312 1.200 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309850 1173348938 /nfs/dbraw/zinc/34/89/38/1173348938.db2.gz QVNNCAJMPHSFCR-BDAKNGLRSA-N 1 1 288.311 1.615 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001164664974 719386402 /nfs/dbraw/zinc/38/64/02/719386402.db2.gz DFPGDJFSTOSHHP-NXEZZACHSA-N 1 1 298.730 1.162 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000357630731 719399006 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C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831555265 818831181 /nfs/dbraw/zinc/83/11/81/818831181.db2.gz LJNHHRQLWNFGMX-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831555265 818831185 /nfs/dbraw/zinc/83/11/85/818831185.db2.gz LJNHHRQLWNFGMX-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000845638842 819056310 /nfs/dbraw/zinc/05/63/10/819056310.db2.gz PEIMUPCEKURNIW-JTQLQIEISA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000845638842 819056318 /nfs/dbraw/zinc/05/63/18/819056318.db2.gz PEIMUPCEKURNIW-JTQLQIEISA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000110732373 819359666 /nfs/dbraw/zinc/35/96/66/819359666.db2.gz GPWMGQDKGNVSFT-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000110732373 819359674 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CC[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000796316660 821204593 /nfs/dbraw/zinc/20/45/93/821204593.db2.gz NUNIAIPEVZWOBU-IUODEOHRSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000882485813 822238402 /nfs/dbraw/zinc/23/84/02/822238402.db2.gz WPZMVMJEXMNGBG-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+]2C)c1F ZINC000712323343 822533420 /nfs/dbraw/zinc/53/34/20/822533420.db2.gz LOGMCVWMBDIDAR-VIFPVBQESA-N 1 1 281.287 1.476 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1F ZINC000712323343 822533429 /nfs/dbraw/zinc/53/34/29/822533429.db2.gz LOGMCVWMBDIDAR-VIFPVBQESA-N 1 1 281.287 1.476 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095531 822587040 /nfs/dbraw/zinc/58/70/40/822587040.db2.gz AMUJOUQYWMTUPP-SWLSCSKDSA-N 1 1 295.383 1.947 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794971527 822592642 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C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C[C@H]1C ZINC001173225267 912315917 /nfs/dbraw/zinc/31/59/17/912315917.db2.gz JCESUBRVLGZMMD-MISXGVKJSA-N 1 1 264.325 1.981 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001173231711 912329278 /nfs/dbraw/zinc/32/92/78/912329278.db2.gz CKSCVZCQBUBSRP-LEWSCRJBSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001173231711 912329294 /nfs/dbraw/zinc/32/92/94/912329294.db2.gz CKSCVZCQBUBSRP-LEWSCRJBSA-N 1 1 262.309 1.999 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)c1 ZINC001226442399 905189036 /nfs/dbraw/zinc/18/90/36/905189036.db2.gz BAHNBYSDJWDPET-JTQLQIEISA-N 1 1 252.270 1.686 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702594023 922569177 /nfs/dbraw/zinc/56/91/77/922569177.db2.gz RYIQWTZPWKTVQU-ZDUSSCGKSA-N 1 1 299.758 1.404 20 5 CDBDMO CCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195769785 924713628 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CDBDMO Cc1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])n1 ZINC001227224591 942153576 /nfs/dbraw/zinc/15/35/76/942153576.db2.gz WLSLLGDBAGAMRO-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO C[N@@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602446 942340953 /nfs/dbraw/zinc/34/09/53/942340953.db2.gz BKRAEADVYLOCBH-VIFPVBQESA-N 1 1 294.311 1.441 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602446 942340958 /nfs/dbraw/zinc/34/09/58/942340958.db2.gz BKRAEADVYLOCBH-VIFPVBQESA-N 1 1 294.311 1.441 20 5 CDBDMO Cc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375317 942460628 /nfs/dbraw/zinc/46/06/28/942460628.db2.gz BABCZAOGGNYUNJ-MYJAWHEDSA-N 1 1 294.311 1.403 20 5 CDBDMO Cc1nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375317 942460629 /nfs/dbraw/zinc/46/06/29/942460629.db2.gz BABCZAOGGNYUNJ-MYJAWHEDSA-N 1 1 294.311 1.403 20 5 CDBDMO CC[N@@H+]1CCC[C@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 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262.309 1.783 20 5 CDBDMO C[C@H]1COCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598597 947545413 /nfs/dbraw/zinc/54/54/13/947545413.db2.gz LADIXGRLDYISBX-IINYFYTJSA-N 1 1 262.309 1.783 20 5 CDBDMO CCN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597328 947547373 /nfs/dbraw/zinc/54/73/73/947547373.db2.gz HKZDUJMSRWWUJQ-HNNXBMFYSA-N 1 1 275.352 1.700 20 5 CDBDMO C[C@]1(CO)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599702 947551226 /nfs/dbraw/zinc/55/12/26/947551226.db2.gz PCLKEYCFSJAWHD-GJZGRUSLSA-N 1 1 276.336 1.766 20 5 CDBDMO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743537 954053253 /nfs/dbraw/zinc/05/32/53/954053253.db2.gz NQBDDDFMXHBMOP-ZJUUUORDSA-N 1 1 266.345 1.683 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001333208097 958157701 /nfs/dbraw/zinc/15/77/01/958157701.db2.gz JQRNRHDAZPARRG-GFCCVEGCSA-N 1 1 250.298 1.664 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1c(C)cncc1[N+](=O)[O-] ZINC001324192710 961227762 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C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000090794953 348157057 /nfs/dbraw/zinc/15/70/57/348157057.db2.gz DNLUGODZACHQSO-DTWKUNHWSA-N 1 1 253.306 1.223 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000024792212 348548254 /nfs/dbraw/zinc/54/82/54/348548254.db2.gz RUFVROLLFUTCMK-UHFFFAOYSA-N 1 1 299.334 1.707 20 5 CDBDMO Cc1c(NC(=O)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000026159896 348658744 /nfs/dbraw/zinc/65/87/44/348658744.db2.gz IDCIARPKDJDGGO-UHFFFAOYSA-N 1 1 293.323 1.564 20 5 CDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829824 349135261 /nfs/dbraw/zinc/13/52/61/349135261.db2.gz IASZMGLACKKETP-OAHLLOKOSA-N 1 1 289.335 1.697 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)C1 ZINC000091549310 180188702 /nfs/dbraw/zinc/18/87/02/180188702.db2.gz MIHKEHIWUWHUCK-JTQLQIEISA-N 1 1 267.333 1.483 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000108945592 186236874 /nfs/dbraw/zinc/23/68/74/186236874.db2.gz 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COC(=O)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000192385912 358196838 /nfs/dbraw/zinc/19/68/38/358196838.db2.gz CNLRDZOTZOXBIY-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO COC(=O)[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000192385912 358196843 /nfs/dbraw/zinc/19/68/43/358196843.db2.gz CNLRDZOTZOXBIY-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000361523383 358263503 /nfs/dbraw/zinc/26/35/03/358263503.db2.gz XOBGVANFVARKTJ-LBPRGKRZSA-N 1 1 284.360 1.520 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000195508639 358434096 /nfs/dbraw/zinc/43/40/96/358434096.db2.gz OGGXMJDSHLQJDW-UHFFFAOYSA-N 1 1 274.346 1.432 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264933041 358779389 /nfs/dbraw/zinc/77/93/89/358779389.db2.gz SYKMQGRFBHMKJV-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000380765648 358893005 /nfs/dbraw/zinc/89/30/05/358893005.db2.gz YRSXBSHXUOHGKN-GFCCVEGCSA-N 1 1 282.340 1.983 20 5 CDBDMO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000451767209 359078572 /nfs/dbraw/zinc/07/85/72/359078572.db2.gz YTZHEFCTVBQLQY-TZMCWYRMSA-N 1 1 296.323 1.185 20 5 CDBDMO CCOc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000451767209 359078578 /nfs/dbraw/zinc/07/85/78/359078578.db2.gz YTZHEFCTVBQLQY-TZMCWYRMSA-N 1 1 296.323 1.185 20 5 CDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000338997738 359268788 /nfs/dbraw/zinc/26/87/88/359268788.db2.gz ABVASGHYOWJZLP-CYBMUJFWSA-N 1 1 296.323 1.274 20 5 CDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000338997738 359268791 /nfs/dbraw/zinc/26/87/91/359268791.db2.gz ABVASGHYOWJZLP-CYBMUJFWSA-N 1 1 296.323 1.274 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000050053720 359281296 /nfs/dbraw/zinc/28/12/96/359281296.db2.gz WHCYOLDIQGBANJ-UHFFFAOYSA-N 1 1 266.297 1.980 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](O)CC3)nc2c1 ZINC000339781080 359437551 /nfs/dbraw/zinc/43/75/51/359437551.db2.gz UAZJYDFECVFKGO-NSHDSACASA-N 1 1 290.323 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](O)CC3)nc2c1 ZINC000339781080 359437554 /nfs/dbraw/zinc/43/75/54/359437554.db2.gz UAZJYDFECVFKGO-NSHDSACASA-N 1 1 290.323 1.818 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150130 359544678 /nfs/dbraw/zinc/54/46/78/359544678.db2.gz NHJIPQJDRHWKTP-LLVKDONJSA-N 1 1 295.314 1.948 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837959 200012149 /nfs/dbraw/zinc/01/21/49/200012149.db2.gz SOECYUQTLYMMEH-LSDHHAIUSA-N 1 1 294.351 1.987 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000177983258 189082872 /nfs/dbraw/zinc/08/28/72/189082872.db2.gz FLKQNIAXGDQXIJ-ZDUSSCGKSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(O)C1 ZINC000177983258 189082873 /nfs/dbraw/zinc/08/28/73/189082873.db2.gz FLKQNIAXGDQXIJ-ZDUSSCGKSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000178859688 189151242 /nfs/dbraw/zinc/15/12/42/189151242.db2.gz MSUHNRIEZGIZMP-RISCZKNCSA-N 1 1 280.324 1.739 20 5 CDBDMO CCc1nn(C)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155311 360971726 /nfs/dbraw/zinc/97/17/26/360971726.db2.gz ILSOLKSMEJJRCY-UWVGGRQHSA-N 1 1 293.371 1.928 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906179 363788705 /nfs/dbraw/zinc/78/87/05/363788705.db2.gz ARHWAVNSJFJDKR-KWQFWETISA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906179 363788709 /nfs/dbraw/zinc/78/87/09/363788709.db2.gz ARHWAVNSJFJDKR-KWQFWETISA-N 1 1 254.261 1.689 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000171127073 376190186 /nfs/dbraw/zinc/19/01/86/376190186.db2.gz HMKKJDUAEISORH-UHFFFAOYSA-N 1 1 295.339 1.211 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918731 364280327 /nfs/dbraw/zinc/28/03/27/364280327.db2.gz VKPOAFSCLBYEHU-MFKMUULPSA-N 1 1 293.323 1.013 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918731 364280333 /nfs/dbraw/zinc/28/03/33/364280333.db2.gz VKPOAFSCLBYEHU-MFKMUULPSA-N 1 1 293.323 1.013 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270813477 366936963 /nfs/dbraw/zinc/93/69/63/366936963.db2.gz YDAQVCFEYRNQOF-NSHDSACASA-N 1 1 278.312 1.146 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270813477 366936965 /nfs/dbraw/zinc/93/69/65/366936965.db2.gz YDAQVCFEYRNQOF-NSHDSACASA-N 1 1 278.312 1.146 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000386324506 366969651 /nfs/dbraw/zinc/96/96/51/366969651.db2.gz UOXGOCPQJPLTKL-WDEREUQCSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000275001797 367024399 /nfs/dbraw/zinc/02/43/99/367024399.db2.gz GXSLQPIUHMVSQG-JTQLQIEISA-N 1 1 299.758 1.751 20 5 CDBDMO [NH3+]CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414707861 241343905 /nfs/dbraw/zinc/34/39/05/241343905.db2.gz PEFMIVLBCJRWEK-UHFFFAOYSA-N 1 1 279.340 1.787 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795053 368131454 /nfs/dbraw/zinc/13/14/54/368131454.db2.gz OGKMFMVZYHMRHL-ONGXEEELSA-N 1 1 292.339 1.588 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000133783580 368540114 /nfs/dbraw/zinc/54/01/14/368540114.db2.gz IBAJAMMECOQCSY-LLVKDONJSA-N 1 1 294.355 1.261 20 5 CDBDMO CC(C)[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000170695026 368548472 /nfs/dbraw/zinc/54/84/72/368548472.db2.gz WXRZIXXFOGRJPQ-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330894472 203363139 /nfs/dbraw/zinc/36/31/39/203363139.db2.gz FISFNFVPXZSOEA-YPMHNXCESA-N 1 1 291.351 1.736 20 5 CDBDMO CCc1[nH+]ccn1CCn1cc([N+](=O)[O-])ccc1=O ZINC000180021548 372330674 /nfs/dbraw/zinc/33/06/74/372330674.db2.gz DFIVPYYFFJEETD-UHFFFAOYSA-N 1 1 262.269 1.216 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000344644631 372792220 /nfs/dbraw/zinc/79/22/20/372792220.db2.gz CPHBVBKAIAIVSV-JTQLQIEISA-N 1 1 280.328 1.005 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434339 372828503 /nfs/dbraw/zinc/82/85/03/372828503.db2.gz WMWPTXCZXHMLPY-QWRGUYRKSA-N 1 1 294.355 1.346 20 5 CDBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])ccc1=O ZINC000298525054 373750392 /nfs/dbraw/zinc/75/03/92/373750392.db2.gz WJSQQMMBWAODSE-UHFFFAOYSA-N 1 1 262.269 1.352 20 5 CDBDMO C[N@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269701473 373938668 /nfs/dbraw/zinc/93/86/68/373938668.db2.gz MENMHJLMHMXFGK-AWEZNQCLSA-N 1 1 279.340 1.266 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000091558555 374033639 /nfs/dbraw/zinc/03/36/39/374033639.db2.gz WDNZEJLHQOVMCK-JTQLQIEISA-N 1 1 279.344 1.768 20 5 CDBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000113349654 374252849 /nfs/dbraw/zinc/25/28/49/374252849.db2.gz SEKJZFPQNBHVRM-SNVBAGLBSA-N 1 1 286.353 1.508 20 5 CDBDMO CCC[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534227 374274138 /nfs/dbraw/zinc/27/41/38/374274138.db2.gz HGHGOXFDSFUTTL-UHFFFAOYSA-N 1 1 268.313 1.678 20 5 CDBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)CC)cc1[N+](=O)[O-] ZINC000066959073 374376254 /nfs/dbraw/zinc/37/62/54/374376254.db2.gz KPFAPAPDBVOTAR-UHFFFAOYSA-N 1 1 295.339 1.675 20 5 CDBDMO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341013 374697794 /nfs/dbraw/zinc/69/77/94/374697794.db2.gz VUKCWGFDSVDNPU-KGLIPLIRSA-N 1 1 281.356 1.558 20 5 CDBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093314172 374741668 /nfs/dbraw/zinc/74/16/68/374741668.db2.gz PMJZJANAXRYZOG-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093314172 374741674 /nfs/dbraw/zinc/74/16/74/374741674.db2.gz PMJZJANAXRYZOG-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280812359 375024915 /nfs/dbraw/zinc/02/49/15/375024915.db2.gz TZCXUQIIKLELTO-CQSZACIVSA-N 1 1 293.323 1.301 20 5 CDBDMO CCN(C)C(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332683760 375042251 /nfs/dbraw/zinc/04/22/51/375042251.db2.gz NKTPJNYLXWWLJY-UHFFFAOYSA-N 1 1 292.339 1.216 20 5 CDBDMO CN(C)C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282562323 375093307 /nfs/dbraw/zinc/09/33/07/375093307.db2.gz YOFJBTJVGXCKAC-UHFFFAOYSA-N 1 1 279.340 1.547 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCn1cccc([N+](=O)[O-])c1=O ZINC000283777301 375123941 /nfs/dbraw/zinc/12/39/41/375123941.db2.gz CTSTYWRDIQUDAI-NSHDSACASA-N 1 1 265.313 1.631 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000162599691 375390503 /nfs/dbraw/zinc/39/05/03/375390503.db2.gz TWACMDMGOGWCLY-SNVBAGLBSA-N 1 1 250.302 1.662 20 5 CDBDMO CC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000305168080 375562890 /nfs/dbraw/zinc/56/28/90/375562890.db2.gz DMMPTWNFOOQPSI-UHFFFAOYSA-N 1 1 281.312 1.238 20 5 CDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)n1 ZINC000427378451 247134353 /nfs/dbraw/zinc/13/43/53/247134353.db2.gz CKBGWQCQEOEUEF-UWVGGRQHSA-N 1 1 295.343 1.024 20 5 CDBDMO CC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278830860 194174345 /nfs/dbraw/zinc/17/43/45/194174345.db2.gz UXRYHYKURDQVFP-BETUJISGSA-N 1 1 289.335 1.795 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372925680 285095848 /nfs/dbraw/zinc/09/58/48/285095848.db2.gz HYLVYYOTAIPSSO-LBPRGKRZSA-N 1 1 295.314 1.645 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC000288281086 197042648 /nfs/dbraw/zinc/04/26/48/197042648.db2.gz ANYYCCYNQQPCTD-UHFFFAOYSA-N 1 1 279.344 1.793 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288249282 197035992 /nfs/dbraw/zinc/03/59/92/197035992.db2.gz FAELNIPXYWZHCY-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243047 195165606 /nfs/dbraw/zinc/16/56/06/195165606.db2.gz UQGKSCUXHITTGX-AWEZNQCLSA-N 1 1 277.324 1.553 20 5 CDBDMO CC(C)[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000433199376 390498119 /nfs/dbraw/zinc/49/81/19/390498119.db2.gz CBAHMCUKYUEPRM-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO CC(C)[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000433199376 390498128 /nfs/dbraw/zinc/49/81/28/390498128.db2.gz CBAHMCUKYUEPRM-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412027799 390681905 /nfs/dbraw/zinc/68/19/05/390681905.db2.gz AEWKZHBEHMHDKY-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413247173 391185541 /nfs/dbraw/zinc/18/55/41/391185541.db2.gz HUYVLURJTSLTDS-ZJUUUORDSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413247173 391185543 /nfs/dbraw/zinc/18/55/43/391185543.db2.gz HUYVLURJTSLTDS-ZJUUUORDSA-N 1 1 298.318 1.020 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268508880 391336182 /nfs/dbraw/zinc/33/61/82/391336182.db2.gz RQLGQAJSFKRDBY-UHFFFAOYSA-N 1 1 264.329 1.830 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000521071608 391508108 /nfs/dbraw/zinc/50/81/08/391508108.db2.gz WYSHSHGUIHNZOH-LLVKDONJSA-N 1 1 275.308 1.436 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292278275 391590163 /nfs/dbraw/zinc/59/01/63/391590163.db2.gz LZPOTATUXLGWGM-AWEZNQCLSA-N 1 1 294.330 1.848 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000292884890 391651325 /nfs/dbraw/zinc/65/13/25/391651325.db2.gz VCOYSMZXKHTBAJ-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO CC1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304286304 130064466 /nfs/dbraw/zinc/06/44/66/130064466.db2.gz FPUGOBKXIZBDBM-ORHYLEIMSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341851739 130094343 /nfs/dbraw/zinc/09/43/43/130094343.db2.gz WFCWTNQEJVQWTK-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341851739 130094345 /nfs/dbraw/zinc/09/43/45/130094345.db2.gz WFCWTNQEJVQWTK-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000263814178 131337597 /nfs/dbraw/zinc/33/75/97/131337597.db2.gz XRVBRZIZNWOLAS-UHFFFAOYSA-N 1 1 295.339 1.211 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803935 392727698 /nfs/dbraw/zinc/72/76/98/392727698.db2.gz ZGSRCYVWIQSKKE-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421004813 392925857 /nfs/dbraw/zinc/92/58/57/392925857.db2.gz UJFBLBLDXWRIED-LBPRGKRZSA-N 1 1 298.339 1.167 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)C1 ZINC000430227918 393095371 /nfs/dbraw/zinc/09/53/71/393095371.db2.gz QQVNTNVHNOMATO-JTQLQIEISA-N 1 1 266.297 1.418 20 5 CDBDMO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)CN)cccc1[N+](=O)[O-] ZINC000430942760 393107894 /nfs/dbraw/zinc/10/78/94/393107894.db2.gz DYDZXDWWOICBKS-SNVBAGLBSA-N 1 1 294.355 1.511 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)CN)cccc1[N+](=O)[O-] ZINC000430942760 393107900 /nfs/dbraw/zinc/10/79/00/393107900.db2.gz DYDZXDWWOICBKS-SNVBAGLBSA-N 1 1 294.355 1.511 20 5 CDBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123641 393107974 /nfs/dbraw/zinc/10/79/74/393107974.db2.gz ZJXDYFABZCFQHZ-STQMWFEESA-N 1 1 296.371 1.519 20 5 CDBDMO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000185435316 140039932 /nfs/dbraw/zinc/03/99/32/140039932.db2.gz UYVQLWWONVIFAN-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000245442813 140268488 /nfs/dbraw/zinc/26/84/88/140268488.db2.gz WPRZKCQWRIKHNV-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CO)C1 ZINC000245442813 140268489 /nfs/dbraw/zinc/26/84/89/140268489.db2.gz WPRZKCQWRIKHNV-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252551795 140319476 /nfs/dbraw/zinc/31/94/76/140319476.db2.gz PYASEPOENMUAGQ-UONOGXRCSA-N 1 1 277.324 1.870 20 5 CDBDMO [NH3+]CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000261579786 140354666 /nfs/dbraw/zinc/35/46/66/140354666.db2.gz DYPPYGUMFDCPQT-UHFFFAOYSA-N 1 1 267.304 1.905 20 5 CDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759072 398133980 /nfs/dbraw/zinc/13/39/80/398133980.db2.gz KBPUEAUDWHSBTN-GVXVVHGQSA-N 1 1 291.355 1.551 20 5 CDBDMO CCCN1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176238016 148030053 /nfs/dbraw/zinc/03/00/53/148030053.db2.gz GBXDQHOOMZJLIC-UHFFFAOYSA-N 1 1 295.387 1.598 20 5 CDBDMO CCCN1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176238016 148030057 /nfs/dbraw/zinc/03/00/57/148030057.db2.gz GBXDQHOOMZJLIC-UHFFFAOYSA-N 1 1 295.387 1.598 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCO ZINC000312334824 149230672 /nfs/dbraw/zinc/23/06/72/149230672.db2.gz FHHRCTDRNDNOMZ-GFCCVEGCSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000343069699 152020148 /nfs/dbraw/zinc/02/01/48/152020148.db2.gz ZYDQRUKXCRJRLX-QWRGUYRKSA-N 1 1 294.355 1.916 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343480493 152197424 /nfs/dbraw/zinc/19/74/24/152197424.db2.gz DLADSRKBJNDBEU-RNCFNFMXSA-N 1 1 295.314 1.946 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000359745455 158359382 /nfs/dbraw/zinc/35/93/82/158359382.db2.gz STOCPGHADLYYTH-VIFPVBQESA-N 1 1 297.359 1.477 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359839004 158394489 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CC[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264661973 276165290 /nfs/dbraw/zinc/16/52/90/276165290.db2.gz RFSUYCFPKMEGST-UHFFFAOYSA-N 1 1 250.302 1.522 20 5 CDBDMO CC[N@@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000338767574 276345421 /nfs/dbraw/zinc/34/54/21/276345421.db2.gz OQXCTLYVYHOTCO-UHFFFAOYSA-N 1 1 293.367 1.984 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913301 277072939 /nfs/dbraw/zinc/07/29/39/277072939.db2.gz XSHBUQCHTUHWCR-CYBMUJFWSA-N 1 1 277.328 1.307 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000193581653 280003082 /nfs/dbraw/zinc/00/30/82/280003082.db2.gz DSBDHPRTNZKHLX-PELKAZGASA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021068 281115006 /nfs/dbraw/zinc/11/50/06/281115006.db2.gz NKKJUPNKUXVSGY-ZYHUDNBSSA-N 1 1 294.355 1.346 20 5 CDBDMO Cc1cnc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272255904 302352741 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CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000913538189 630533067 /nfs/dbraw/zinc/53/30/67/630533067.db2.gz VZSOMQNLBOCUBT-TXEJJXNPSA-N 1 1 293.298 1.653 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000913538189 630533068 /nfs/dbraw/zinc/53/30/68/630533068.db2.gz VZSOMQNLBOCUBT-TXEJJXNPSA-N 1 1 293.298 1.653 20 5 CDBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929423145 630639919 /nfs/dbraw/zinc/63/99/19/630639919.db2.gz FEIBOWDOBOKGRU-ZDUSSCGKSA-N 1 1 285.388 1.672 20 5 CDBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cccnc1[N+](=O)[O-] ZINC000917394724 632205891 /nfs/dbraw/zinc/20/58/91/632205891.db2.gz AGUQOLUBKXDEDO-SECBINFHSA-N 1 1 262.269 1.861 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000917450675 632219358 /nfs/dbraw/zinc/21/93/58/632219358.db2.gz WOZHJWKITGKVBZ-SNVBAGLBSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000917450675 632219362 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C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000110733007 828539459 /nfs/dbraw/zinc/53/94/59/828539459.db2.gz LBDVLCWBSIOAAY-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000110733007 828539465 /nfs/dbraw/zinc/53/94/65/828539465.db2.gz LBDVLCWBSIOAAY-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931650735 823823373 /nfs/dbraw/zinc/82/33/73/823823373.db2.gz BSPINZHHOJSJSR-LLVKDONJSA-N 1 1 297.742 1.862 20 5 CDBDMO CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437173 824059639 /nfs/dbraw/zinc/05/96/39/824059639.db2.gz HCKVPNURBOXFHS-CHWSQXEVSA-N 1 1 295.383 1.589 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000928249653 824311211 /nfs/dbraw/zinc/31/12/11/824311211.db2.gz ULTOFUXMABZUAL-MFKMUULPSA-N 1 1 293.323 1.103 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000928249653 824311217 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C[N@H+]1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886310508 824812574 /nfs/dbraw/zinc/81/25/74/824812574.db2.gz MQHPBXBKBXQFLV-WCQYABFASA-N 1 1 276.340 1.516 20 5 CDBDMO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000886848898 824996519 /nfs/dbraw/zinc/99/65/19/824996519.db2.gz SNQBJFPLULEMEO-LBPRGKRZSA-N 1 1 293.323 1.834 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000886848898 824996526 /nfs/dbraw/zinc/99/65/26/824996526.db2.gz SNQBJFPLULEMEO-LBPRGKRZSA-N 1 1 293.323 1.834 20 5 CDBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccnn1C ZINC000886310064 825005346 /nfs/dbraw/zinc/00/53/46/825005346.db2.gz CQVPLGFHGSASPC-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795749 825078033 /nfs/dbraw/zinc/07/80/33/825078033.db2.gz IVKRKZQNOHWEDN-KYOSRNDESA-N 1 1 294.351 1.579 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000799939171 825078248 /nfs/dbraw/zinc/07/82/48/825078248.db2.gz FGFVUXZEMNSHQC-MRVPVSSYSA-N 1 1 256.331 1.948 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000776771385 825248504 /nfs/dbraw/zinc/24/85/04/825248504.db2.gz GXMKYMRVCJGFJQ-GFCCVEGCSA-N 1 1 280.328 1.640 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840268661 825482454 /nfs/dbraw/zinc/48/24/54/825482454.db2.gz VNXLGFWDCRNKLT-JHJVBQTASA-N 1 1 283.372 1.278 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000778267222 828817241 /nfs/dbraw/zinc/81/72/41/828817241.db2.gz CECLBYOSBOVYNC-OCCSQVGLSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000174088584 825876053 /nfs/dbraw/zinc/87/60/53/825876053.db2.gz IWGCHNZUAOLGOQ-OLZOCXBDSA-N 1 1 293.371 1.534 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000776597463 826072646 /nfs/dbraw/zinc/07/26/46/826072646.db2.gz MJSWDZOPDQEGRF-HNNXBMFYSA-N 1 1 294.351 1.987 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000164979532 826198168 /nfs/dbraw/zinc/19/81/68/826198168.db2.gz CPEKYIINUQRFGS-UHFFFAOYSA-N 1 1 278.268 1.763 20 5 CDBDMO C[C@H](C[N@H+](CC[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000930489408 826287547 /nfs/dbraw/zinc/28/75/47/826287547.db2.gz XQFRZCGUTORTEY-OLZOCXBDSA-N 1 1 266.341 1.750 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000931689767 826337604 /nfs/dbraw/zinc/33/76/04/826337604.db2.gz FCPOCIJQHWGTNP-SNVBAGLBSA-N 1 1 289.129 1.349 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000832783336 826386309 /nfs/dbraw/zinc/38/63/09/826386309.db2.gz QCJGMHNVAQHELX-WFASDCNBSA-N 1 1 294.351 1.723 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000929929302 826755411 /nfs/dbraw/zinc/75/54/11/826755411.db2.gz HKKFYUOHVKTMTO-KGLIPLIRSA-N 1 1 264.325 1.851 20 5 CDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839200714 826830716 /nfs/dbraw/zinc/83/07/16/826830716.db2.gz ZEEMWTLLOSXRDC-CMPLNLGQSA-N 1 1 286.715 1.752 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172295423 826841032 /nfs/dbraw/zinc/84/10/32/826841032.db2.gz QMXOVAUQDXUHCP-CYBMUJFWSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172295423 826841034 /nfs/dbraw/zinc/84/10/34/826841034.db2.gz QMXOVAUQDXUHCP-CYBMUJFWSA-N 1 1 298.314 1.707 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795754064 826867280 /nfs/dbraw/zinc/86/72/80/826867280.db2.gz YIOCLJUZJAUUGC-SNVBAGLBSA-N 1 1 278.312 1.869 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632752 827261587 /nfs/dbraw/zinc/26/15/87/827261587.db2.gz RDRVAZGHNFOKAN-HUUCEWRRSA-N 1 1 294.351 1.865 20 5 CDBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885979526 827333203 /nfs/dbraw/zinc/33/32/03/827333203.db2.gz FKQFYWCJIMGJQA-GFCCVEGCSA-N 1 1 293.323 1.907 20 5 CDBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885979526 827333214 /nfs/dbraw/zinc/33/32/14/827333214.db2.gz FKQFYWCJIMGJQA-GFCCVEGCSA-N 1 1 293.323 1.907 20 5 CDBDMO COC[C@]1(C)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840107748 827588612 /nfs/dbraw/zinc/58/86/12/827588612.db2.gz MKSWHYURHJGQCO-CYBMUJFWSA-N 1 1 282.344 1.724 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840107748 827588622 /nfs/dbraw/zinc/58/86/22/827588622.db2.gz MKSWHYURHJGQCO-CYBMUJFWSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1cn[nH]c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000811506944 827648305 /nfs/dbraw/zinc/64/83/05/827648305.db2.gz LUOSREHLBWIEOF-UHFFFAOYSA-N 1 1 275.312 1.592 20 5 CDBDMO Cc1cc(F)cc(C(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000190248903 828275110 /nfs/dbraw/zinc/27/51/10/828275110.db2.gz VSDKRWZTHVEZER-UHFFFAOYSA-N 1 1 291.229 1.366 20 5 CDBDMO CC(=O)N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222232 912305790 /nfs/dbraw/zinc/30/57/90/912305790.db2.gz QSZDBRBDQULRQD-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H](O)C1 ZINC001173223362 912309526 /nfs/dbraw/zinc/30/95/26/912309526.db2.gz ZMHFIDZPOKGFJE-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO Cc1ccc(COC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223223977 901045038 /nfs/dbraw/zinc/04/50/38/901045038.db2.gz HJGWAWALJXASLS-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1ccc(COC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223223977 901045046 /nfs/dbraw/zinc/04/50/46/901045046.db2.gz HJGWAWALJXASLS-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226709355 905486794 /nfs/dbraw/zinc/48/67/94/905486794.db2.gz HSVIBFHIXDKYTH-IAZYJMLFSA-N 1 1 263.297 1.994 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cnc(C[NH3+])n1 ZINC001168756776 922766697 /nfs/dbraw/zinc/76/66/97/922766697.db2.gz RERQABLSLZJZPA-UHFFFAOYSA-N 1 1 291.311 1.730 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])c3ccccc32)n1 ZINC001168757535 922803450 /nfs/dbraw/zinc/80/34/50/922803450.db2.gz YRBNMPMYDJDJCF-UHFFFAOYSA-N 1 1 269.264 1.787 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncccc2O)C1 ZINC001168981178 927568537 /nfs/dbraw/zinc/56/85/37/927568537.db2.gz GOKNNLAUFWKRCU-ZJUUUORDSA-N 1 1 251.286 1.322 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010915 927617956 /nfs/dbraw/zinc/61/79/56/927617956.db2.gz GEAZCCMZVDQICX-FDYHWXHSSA-N 1 1 256.346 1.525 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011435 927617990 /nfs/dbraw/zinc/61/79/90/927617990.db2.gz KIFKDNOFAONIQB-IJLUTSLNSA-N 1 1 254.330 1.733 20 5 CDBDMO CN1CC[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038619 927649382 /nfs/dbraw/zinc/64/93/82/927649382.db2.gz JJCYJMOHTPZEIR-YVECIDJPSA-N 1 1 253.346 1.068 20 5 CDBDMO Cn1ncc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169043817 927657208 /nfs/dbraw/zinc/65/72/08/927657208.db2.gz HVZAVBKJWSGWON-PWSUYJOCSA-N 1 1 264.329 1.224 20 5 CDBDMO CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050611 927668558 /nfs/dbraw/zinc/66/85/58/927668558.db2.gz BYIVNGXZLGEHDF-RFQIPJPRSA-N 1 1 295.383 1.375 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054265 927671305 /nfs/dbraw/zinc/67/13/05/927671305.db2.gz LKHSZSHRFHZMNS-AAVRWANBSA-N 1 1 268.357 1.933 20 5 CDBDMO COc1cnc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157009069 929103385 /nfs/dbraw/zinc/10/33/85/929103385.db2.gz DIQFNDGAYDZNBY-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001119810274 937757206 /nfs/dbraw/zinc/75/72/06/937757206.db2.gz MPVHJDWFFLPXTL-GFCCVEGCSA-N 1 1 254.261 1.556 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001119810274 937757208 /nfs/dbraw/zinc/75/72/08/937757208.db2.gz MPVHJDWFFLPXTL-GFCCVEGCSA-N 1 1 254.261 1.556 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000088056016 934781298 /nfs/dbraw/zinc/78/12/98/934781298.db2.gz YVJNIBYLSMECNR-MWLCHTKSSA-N 1 1 292.339 1.390 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826532 937839422 /nfs/dbraw/zinc/83/94/22/937839422.db2.gz ANMDZXXZNRMQFO-CMPLNLGQSA-N 1 1 291.355 1.493 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001156580818 938389015 /nfs/dbraw/zinc/38/90/15/938389015.db2.gz UVUMLYOHFZNXLU-VIFPVBQESA-N 1 1 273.296 1.654 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001157002063 938445026 /nfs/dbraw/zinc/44/50/26/938445026.db2.gz SSZMXUFCGHEXNW-LBPRGKRZSA-N 1 1 264.329 1.909 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165144468 939517213 /nfs/dbraw/zinc/51/72/13/939517213.db2.gz IINZJESRQJUNCB-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO Cc1c[n+]([O-])c(NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165261352 939535716 /nfs/dbraw/zinc/53/57/16/939535716.db2.gz OYKYVPUMUNGJBX-LBPRGKRZSA-N 1 1 294.355 1.680 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ncc([N+](=O)[O-])c(C)n1)C2 ZINC001165387386 939556115 /nfs/dbraw/zinc/55/61/15/939556115.db2.gz MJYKXCTVCMNXPG-UHFFFAOYSA-N 1 1 274.284 1.218 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000401529364 940870888 /nfs/dbraw/zinc/87/08/88/940870888.db2.gz HHYIJDWPCTVXPE-KOLCDFICSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000401529364 940870889 /nfs/dbraw/zinc/87/08/89/940870889.db2.gz HHYIJDWPCTVXPE-KOLCDFICSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+]1CC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925304 941642499 /nfs/dbraw/zinc/64/24/99/941642499.db2.gz LBXZMEXQSGPYMH-JTQLQIEISA-N 1 1 277.280 1.957 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@H]1CCCC[N@H+]1C ZINC001224702560 941784308 /nfs/dbraw/zinc/78/43/08/941784308.db2.gz NLOVCUCUCQFITQ-DGCLKSJQSA-N 1 1 296.371 1.989 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449630 941862151 /nfs/dbraw/zinc/86/21/51/941862151.db2.gz XDHLWNMRQNPOGH-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226757976 942063543 /nfs/dbraw/zinc/06/35/43/942063543.db2.gz ZBCAXCGERBQAFU-MKPLZMMCSA-N 1 1 295.270 1.312 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226757976 942063548 /nfs/dbraw/zinc/06/35/48/942063548.db2.gz ZBCAXCGERBQAFU-MKPLZMMCSA-N 1 1 295.270 1.312 20 5 CDBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001227122732 942137242 /nfs/dbraw/zinc/13/72/42/942137242.db2.gz TXBOJCMZLSIEAU-SECBINFHSA-N 1 1 280.280 1.464 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001228687002 942358101 /nfs/dbraw/zinc/35/81/01/942358101.db2.gz STVYENDTKIRROO-SECBINFHSA-N 1 1 267.285 1.477 20 5 CDBDMO Cc1nc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ncc1[N+](=O)[O-] ZINC001262373042 946620545 /nfs/dbraw/zinc/62/05/45/946620545.db2.gz KOWNDKYTOWKRHP-WDEREUQCSA-N 1 1 277.328 1.366 20 5 CDBDMO Cc1nonc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572004 947530525 /nfs/dbraw/zinc/53/05/25/947530525.db2.gz GCKMJIHYKZZHKL-LLVKDONJSA-N 1 1 274.280 1.543 20 5 CDBDMO Cc1ncc(C[NH3+])c(=N)n1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580523 947538364 /nfs/dbraw/zinc/53/83/64/947538364.db2.gz DNHZUYNGAMZWMS-AWEZNQCLSA-N 1 1 299.334 1.378 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](O)[C@@H](F)CC1)C2 ZINC001254595472 947546208 /nfs/dbraw/zinc/54/62/08/947546208.db2.gz XONCJCBSCRLYHD-QLFBSQMISA-N 1 1 294.326 1.857 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCOCC1)C2 ZINC001254601120 947548754 /nfs/dbraw/zinc/54/87/54/947548754.db2.gz ZPKQEGHVXWUKQO-CQSZACIVSA-N 1 1 262.309 1.784 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2 ZINC001328379396 955279110 /nfs/dbraw/zinc/27/91/10/955279110.db2.gz WJPNRVMCCYBQJM-UHFFFAOYSA-N 1 1 261.325 1.910 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(-c2nnc(C[NH+](C)C)o2)c1 ZINC001322340898 960187596 /nfs/dbraw/zinc/18/75/96/960187596.db2.gz XKEVAXJOTURBKS-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO CC1(C)CC[N@@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336740458 960528655 /nfs/dbraw/zinc/52/86/55/960528655.db2.gz PDWIQWVJNVYMFI-UHFFFAOYSA-N 1 1 279.344 1.716 20 5 CDBDMO C[C@H](NCC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776692 961418019 /nfs/dbraw/zinc/41/80/19/961418019.db2.gz CXBBBMYJWAEYST-ZFWWWQNUSA-N 1 1 277.368 1.763 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339267434 962284674 /nfs/dbraw/zinc/28/46/74/962284674.db2.gz WMSMYDCLDOQTAK-LBPRGKRZSA-N 1 1 295.314 1.948 20 5 CDBDMO C[C@H](CO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105982 342466784 /nfs/dbraw/zinc/46/67/84/342466784.db2.gz JMMXDNLNVRMSEH-VIFPVBQESA-N 1 1 261.281 1.605 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3C=C[C@H](CO)C3)c2c1 ZINC000601124157 342471395 /nfs/dbraw/zinc/47/13/95/342471395.db2.gz NXCMRKFDDXKPNP-WDEREUQCSA-N 1 1 285.303 1.914 20 5 CDBDMO 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CDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507532 366892009 /nfs/dbraw/zinc/89/20/09/366892009.db2.gz RDQTXXRJTFZRPD-MNOVXSKESA-N 1 1 268.317 1.027 20 5 CDBDMO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442964 367246972 /nfs/dbraw/zinc/24/69/72/367246972.db2.gz ITXSBYHGBBFFBR-VXGBXAGGSA-N 1 1 291.355 1.614 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000348636918 367598417 /nfs/dbraw/zinc/59/84/17/367598417.db2.gz SBNJVKNERPLBRY-WTMFUUHESA-N 1 1 292.335 1.690 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000272437753 367732522 /nfs/dbraw/zinc/73/25/22/367732522.db2.gz IFVOUKAZDJMLSK-KOLCDFICSA-N 1 1 278.312 1.089 20 5 CDBDMO CCC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318968 368156105 /nfs/dbraw/zinc/15/61/05/368156105.db2.gz QNUSOKKMVAHSME-LSDHHAIUSA-N 1 1 295.383 1.948 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441195663 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O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000449385995 374805843 /nfs/dbraw/zinc/80/58/43/374805843.db2.gz HAMOWPCATMXQRQ-HNNXBMFYSA-N 1 1 293.367 1.531 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000280358124 374994378 /nfs/dbraw/zinc/99/43/78/374994378.db2.gz CLDRPPXUQSGHBY-LBPRGKRZSA-N 1 1 295.295 1.706 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000280358124 374994385 /nfs/dbraw/zinc/99/43/85/374994385.db2.gz CLDRPPXUQSGHBY-LBPRGKRZSA-N 1 1 295.295 1.706 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280499968 374998721 /nfs/dbraw/zinc/99/87/21/374998721.db2.gz BEGSICNMDYITMI-CQSZACIVSA-N 1 1 295.314 1.692 20 5 CDBDMO Cc1ccc(C[N@@H+](C)CCOCCO)cc1[N+](=O)[O-] ZINC000282790427 375100327 /nfs/dbraw/zinc/10/03/27/375100327.db2.gz RDUUTPUKEASCJQ-UHFFFAOYSA-N 1 1 268.313 1.344 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000131346614 375241461 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Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000304271774 375424137 /nfs/dbraw/zinc/42/41/37/375424137.db2.gz WTJPKTCXYIEIFH-LBPRGKRZSA-N 1 1 293.323 1.298 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293973200 375546109 /nfs/dbraw/zinc/54/61/09/375546109.db2.gz MEAKILBJVZTJGQ-PHIMTYICSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293973200 375546119 /nfs/dbraw/zinc/54/61/19/375546119.db2.gz MEAKILBJVZTJGQ-PHIMTYICSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057700937 375562117 /nfs/dbraw/zinc/56/21/17/375562117.db2.gz LFHXABDKAHWRRJ-VIFPVBQESA-N 1 1 295.314 1.946 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@@H]1O ZINC000305810564 375659164 /nfs/dbraw/zinc/65/91/64/375659164.db2.gz LZFRCEMZGKYSLR-YPMHNXCESA-N 1 1 282.344 1.274 20 5 CDBDMO CC[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000133183454 375716370 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O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000266909927 378607723 /nfs/dbraw/zinc/60/77/23/378607723.db2.gz CRWWWWDENLWSCS-VXGBXAGGSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000266909927 378607727 /nfs/dbraw/zinc/60/77/27/378607727.db2.gz CRWWWWDENLWSCS-VXGBXAGGSA-N 1 1 266.301 1.045 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000069920991 379210257 /nfs/dbraw/zinc/21/02/57/379210257.db2.gz ZNUUKNSHDBGXQV-LBPRGKRZSA-N 1 1 263.297 1.087 20 5 CDBDMO COc1cc(C(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])cc1F ZINC000450201078 251171538 /nfs/dbraw/zinc/17/15/38/251171538.db2.gz LAQIQFJGRIIIRJ-UHFFFAOYSA-N 1 1 297.286 1.178 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000450593449 251356804 /nfs/dbraw/zinc/35/68/04/251356804.db2.gz IMROFVBELMLHRV-LBPRGKRZSA-N 1 1 297.330 1.993 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000363911019 285172878 /nfs/dbraw/zinc/17/28/78/285172878.db2.gz SWCXERMPBDJJFK-SNVBAGLBSA-N 1 1 263.301 1.059 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnnn1C ZINC000288442024 197079143 /nfs/dbraw/zinc/07/91/43/197079143.db2.gz MATZNRLJBUAHFL-UHFFFAOYSA-N 1 1 261.285 1.322 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834815 390435194 /nfs/dbraw/zinc/43/51/94/390435194.db2.gz INUHJOOMFKQBRN-APPZFPTMSA-N 1 1 268.342 1.946 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451659 391010122 /nfs/dbraw/zinc/01/01/22/391010122.db2.gz XKHSZVZIRMUYSM-STQMWFEESA-N 1 1 293.367 1.795 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990823 391095040 /nfs/dbraw/zinc/09/50/40/391095040.db2.gz KDTUOBXKTLEZMT-AAEUAGOBSA-N 1 1 296.371 1.520 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2ncc([N+](=O)[O-])cc2F)n1C ZINC000413136614 391164514 /nfs/dbraw/zinc/16/45/14/391164514.db2.gz KONYUYFNMHWXNA-UHFFFAOYSA-N 1 1 294.290 1.541 20 5 CDBDMO C[C@H]1CC[S@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369358725 391169573 /nfs/dbraw/zinc/16/95/73/391169573.db2.gz OLDGFTBFVUQQBK-YUNKPMOVSA-N 1 1 296.392 1.980 20 5 CDBDMO C[C@H]1CC[S@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369358725 391169578 /nfs/dbraw/zinc/16/95/78/391169578.db2.gz OLDGFTBFVUQQBK-YUNKPMOVSA-N 1 1 296.392 1.980 20 5 CDBDMO CC[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264624439 391283663 /nfs/dbraw/zinc/28/36/63/391283663.db2.gz JALSTSQAFRZLKJ-UHFFFAOYSA-N 1 1 295.368 1.836 20 5 CDBDMO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@H+]1C ZINC000343451220 391633190 /nfs/dbraw/zinc/63/31/90/391633190.db2.gz FTZQHSRFCMGIGU-BDAKNGLRSA-N 1 1 253.306 1.223 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000266240492 131705586 /nfs/dbraw/zinc/70/55/86/131705586.db2.gz WYBUIIIXCPPHIL-LLVKDONJSA-N 1 1 280.328 1.431 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000523352920 392887091 /nfs/dbraw/zinc/88/70/91/392887091.db2.gz UZGKDCOOQKTRMC-JTQLQIEISA-N 1 1 280.328 1.383 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000269185717 132126900 /nfs/dbraw/zinc/12/69/00/132126900.db2.gz KYOFIQULVHXHAS-UHFFFAOYSA-N 1 1 295.343 1.081 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]2C1 ZINC000278866271 393142976 /nfs/dbraw/zinc/14/29/76/393142976.db2.gz YVVOBQVJOWMTLW-DTORHVGOSA-N 1 1 293.352 1.302 20 5 CDBDMO CO[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000487968190 393367298 /nfs/dbraw/zinc/36/72/98/393367298.db2.gz DTTLAYUNTCPHQA-STQMWFEESA-N 1 1 266.297 1.440 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000588513797 393425180 /nfs/dbraw/zinc/42/51/80/393425180.db2.gz XLDZJAWGQMPJIW-UARNIUSMSA-N 1 1 278.308 1.036 20 5 CDBDMO CC[N@@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343729045 152281678 /nfs/dbraw/zinc/28/16/78/152281678.db2.gz YBJVVMGDDFSDGT-UHFFFAOYSA-N 1 1 295.339 1.628 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999358 152384073 /nfs/dbraw/zinc/38/40/73/152384073.db2.gz SVRWFSIFLCSQSS-SECBINFHSA-N 1 1 270.358 1.760 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007138 153022930 /nfs/dbraw/zinc/02/29/30/153022930.db2.gz ZKKMJCARLWQBFF-RKDXNWHRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007138 153022932 /nfs/dbraw/zinc/02/29/32/153022932.db2.gz ZKKMJCARLWQBFF-RKDXNWHRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007138 153022933 /nfs/dbraw/zinc/02/29/33/153022933.db2.gz ZKKMJCARLWQBFF-RKDXNWHRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007138 153022935 /nfs/dbraw/zinc/02/29/35/153022935.db2.gz ZKKMJCARLWQBFF-RKDXNWHRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352211507 155025172 /nfs/dbraw/zinc/02/51/72/155025172.db2.gz KRGZGTJFKYTMHY-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375386359 160375224 /nfs/dbraw/zinc/37/52/24/160375224.db2.gz HDRBQZIJVHYSGJ-CMPLNLGQSA-N 1 1 280.328 1.472 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375386359 160375225 /nfs/dbraw/zinc/37/52/25/160375225.db2.gz HDRBQZIJVHYSGJ-CMPLNLGQSA-N 1 1 280.328 1.472 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375386362 160375443 /nfs/dbraw/zinc/37/54/43/160375443.db2.gz HDRBQZIJVHYSGJ-ZYHUDNBSSA-N 1 1 280.328 1.472 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375386362 160375444 /nfs/dbraw/zinc/37/54/44/160375444.db2.gz HDRBQZIJVHYSGJ-ZYHUDNBSSA-N 1 1 280.328 1.472 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042769 156237164 /nfs/dbraw/zinc/23/71/64/156237164.db2.gz RMOVDZMOTNDGMG-DGCLKSJQSA-N 1 1 296.371 1.520 20 5 CDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000359667951 158329071 /nfs/dbraw/zinc/32/90/71/158329071.db2.gz AXEKFSPSBKMKTP-ZDUSSCGKSA-N 1 1 268.313 1.158 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000363572907 159329652 /nfs/dbraw/zinc/32/96/52/159329652.db2.gz KYDQDEYRUMJEGT-OLZOCXBDSA-N 1 1 280.328 1.027 20 5 CDBDMO COCC[C@@H]1CCCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375113823 160346467 /nfs/dbraw/zinc/34/64/67/160346467.db2.gz KAWHJGKETSJJOU-LBPRGKRZSA-N 1 1 296.371 1.967 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CO ZINC000284372275 196041841 /nfs/dbraw/zinc/04/18/41/196041841.db2.gz FALSFOAOHZPULH-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC000317589199 260282049 /nfs/dbraw/zinc/28/20/49/260282049.db2.gz CUKVXIJTWIOROB-SKDRFNHKSA-N 1 1 286.715 1.033 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC000317589199 260282050 /nfs/dbraw/zinc/28/20/50/260282050.db2.gz CUKVXIJTWIOROB-SKDRFNHKSA-N 1 1 286.715 1.033 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000518358328 260382536 /nfs/dbraw/zinc/38/25/36/260382536.db2.gz IROXHGCNSUWWCE-LLVKDONJSA-N 1 1 263.297 1.163 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000519020402 265298099 /nfs/dbraw/zinc/29/80/99/265298099.db2.gz FSJFOUGNMURPSS-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000519020402 265298102 /nfs/dbraw/zinc/29/81/02/265298102.db2.gz FSJFOUGNMURPSS-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)ncc1[N+](=O)[O-] ZINC000489941469 274720311 /nfs/dbraw/zinc/72/03/11/274720311.db2.gz BQTRMEPAAMHOIF-JTQLQIEISA-N 1 1 273.296 1.922 20 5 CDBDMO CCC[C@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000152588438 276046957 /nfs/dbraw/zinc/04/69/57/276046957.db2.gz JWLBHZRDBUFEOT-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO CCC[C@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000152588438 276046959 /nfs/dbraw/zinc/04/69/59/276046959.db2.gz JWLBHZRDBUFEOT-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980657 277048227 /nfs/dbraw/zinc/04/82/27/277048227.db2.gz FEOSDBVVOZJTDF-ZYHUDNBSSA-N 1 1 277.324 1.866 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420980657 277048229 /nfs/dbraw/zinc/04/82/29/277048229.db2.gz FEOSDBVVOZJTDF-ZYHUDNBSSA-N 1 1 277.324 1.866 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891753 295071727 /nfs/dbraw/zinc/07/17/27/295071727.db2.gz HQMDUPMDHQOFRN-VXGBXAGGSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891753 295071728 /nfs/dbraw/zinc/07/17/28/295071728.db2.gz HQMDUPMDHQOFRN-VXGBXAGGSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139290 316239826 /nfs/dbraw/zinc/23/98/26/316239826.db2.gz ACINQCNGPASGRM-SFYZADRCSA-N 1 1 278.268 1.903 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@@H]2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC001228686609 1160473215 /nfs/dbraw/zinc/47/32/15/1160473215.db2.gz PBIJPOJFXCLFDB-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055899742 519644909 /nfs/dbraw/zinc/64/49/09/519644909.db2.gz OJYWPWQPRUMCHQ-UHFFFAOYSA-N 1 1 295.339 1.559 20 5 CDBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067825 519808824 /nfs/dbraw/zinc/80/88/24/519808824.db2.gz BGJRMAJAVXZEFS-ZDUSSCGKSA-N 1 1 282.344 1.132 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675371 523599019 /nfs/dbraw/zinc/59/90/19/523599019.db2.gz OESZYUVZYSVEPA-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H](C)O ZINC000156299646 524906671 /nfs/dbraw/zinc/90/66/71/524906671.db2.gz VQFNRFWQQYIJCO-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H](C)O ZINC000156299646 524906680 /nfs/dbraw/zinc/90/66/80/524906680.db2.gz VQFNRFWQQYIJCO-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO COCCC[N@@H+](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000178237875 536512106 /nfs/dbraw/zinc/51/21/06/536512106.db2.gz YTJDTAHCHSFQEM-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO C[NH2+][C@@H](C)Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000414638482 536346023 /nfs/dbraw/zinc/34/60/23/536346023.db2.gz DDORSYOHWPWOLZ-ZETCQYMHSA-N 1 1 278.268 1.501 20 5 CDBDMO CCOC1CC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286709939 538435488 /nfs/dbraw/zinc/43/54/88/538435488.db2.gz FMTKBRRIYIYCBE-UHFFFAOYSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694341 576958287 /nfs/dbraw/zinc/95/82/87/576958287.db2.gz VYDGFMHPHFPFGG-SWLSCSKDSA-N 1 1 293.367 1.654 20 5 CDBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000891829645 617624695 /nfs/dbraw/zinc/62/46/95/617624695.db2.gz HCQKNIAOFIKZBL-GHMZBOCLSA-N 1 1 281.360 1.861 20 5 CDBDMO Cc1cnc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941782 618205522 /nfs/dbraw/zinc/20/55/22/618205522.db2.gz WJLWHXJKOVEHGG-CMPLNLGQSA-N 1 1 262.313 1.439 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000894398166 618855745 /nfs/dbraw/zinc/85/57/45/618855745.db2.gz QLZKIBYTSSUZAE-PHIMTYICSA-N 1 1 296.323 1.918 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000894464488 618899748 /nfs/dbraw/zinc/89/97/48/618899748.db2.gz FJWWCHPEEXMGFQ-QMMMGPOBSA-N 1 1 270.285 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000894464488 618899749 /nfs/dbraw/zinc/89/97/49/618899749.db2.gz FJWWCHPEEXMGFQ-QMMMGPOBSA-N 1 1 270.285 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](O)CC2)c1[N+](=O)[O-] ZINC000894652002 619005551 /nfs/dbraw/zinc/00/55/51/619005551.db2.gz WMXSGYAEDBAUBJ-LLVKDONJSA-N 1 1 296.323 1.656 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000895115580 619305899 /nfs/dbraw/zinc/30/58/99/619305899.db2.gz PFVNYLOQXCHDNM-UHFFFAOYSA-N 1 1 294.286 1.843 20 5 CDBDMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929099356 620952001 /nfs/dbraw/zinc/95/20/01/620952001.db2.gz GGTRFBUECVZPAX-UONOGXRCSA-N 1 1 289.335 1.472 20 5 CDBDMO Cc1nn(CN2CC[N@H+](C)C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000902544513 624939454 /nfs/dbraw/zinc/93/94/54/624939454.db2.gz XZVQQVXKIKICCL-CYBMUJFWSA-N 1 1 295.387 1.719 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000905154052 626639138 /nfs/dbraw/zinc/63/91/38/626639138.db2.gz NGFNTAUBJMHKFM-LLVKDONJSA-N 1 1 283.715 1.312 20 5 CDBDMO C[C@H]1C[C@@H](NCC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905162427 626673495 /nfs/dbraw/zinc/67/34/95/626673495.db2.gz ZLWUAUDBVCJMFP-GXTWGEPZSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1 ZINC000905162427 626673497 /nfs/dbraw/zinc/67/34/97/626673497.db2.gz ZLWUAUDBVCJMFP-GXTWGEPZSA-N 1 1 263.341 1.516 20 5 CDBDMO Cc1ccc(C2=NO[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905247069 626702888 /nfs/dbraw/zinc/70/28/88/626702888.db2.gz LKABRSBNRUCKHM-LBPRGKRZSA-N 1 1 263.297 1.354 20 5 CDBDMO C[N@H+]1CC[C@@H](Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000912458998 630009904 /nfs/dbraw/zinc/00/99/04/630009904.db2.gz NIOSMMMWBPSJRH-SNVBAGLBSA-N 1 1 288.311 1.200 20 5 CDBDMO CNC(=O)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327205 1162337384 /nfs/dbraw/zinc/33/73/84/1162337384.db2.gz FRCRNCKTCTTZNJ-SNVBAGLBSA-N 1 1 295.339 1.212 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327205 1162337386 /nfs/dbraw/zinc/33/73/86/1162337386.db2.gz FRCRNCKTCTTZNJ-SNVBAGLBSA-N 1 1 295.339 1.212 20 5 CDBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876916 1162374328 /nfs/dbraw/zinc/37/43/28/1162374328.db2.gz FJHMMRLWVAEAHJ-ZDUSSCGKSA-N 1 1 295.295 1.850 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876916 1162374330 /nfs/dbraw/zinc/37/43/30/1162374330.db2.gz FJHMMRLWVAEAHJ-ZDUSSCGKSA-N 1 1 295.295 1.850 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001167787026 1159708643 /nfs/dbraw/zinc/70/86/43/1159708643.db2.gz PNGQDKNFVCTXFF-UHFFFAOYSA-N 1 1 299.294 1.535 20 5 CDBDMO Nc1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000312471157 1186699466 /nfs/dbraw/zinc/69/94/66/1186699466.db2.gz GTVBQISCARTNEW-MNOVXSKESA-N 1 1 277.328 1.611 20 5 CDBDMO C[C@@H](CN)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940340 1186770185 /nfs/dbraw/zinc/77/01/85/1186770185.db2.gz OVVDFGLWDAYJIJ-NSHDSACASA-N 1 1 267.329 1.643 20 5 CDBDMO C[C@@H](CN)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940340 1186770188 /nfs/dbraw/zinc/77/01/88/1186770188.db2.gz OVVDFGLWDAYJIJ-NSHDSACASA-N 1 1 267.329 1.643 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164636548 719151760 /nfs/dbraw/zinc/15/17/60/719151760.db2.gz YVYXWSJRTQVYGK-JGVFFNPUSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164636548 719151764 /nfs/dbraw/zinc/15/17/64/719151764.db2.gz YVYXWSJRTQVYGK-JGVFFNPUSA-N 1 1 299.762 1.875 20 5 CDBDMO COCC[NH+](CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774464 833056284 /nfs/dbraw/zinc/05/62/84/833056284.db2.gz MZZQAZLFTDSFDF-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(F)c1 ZINC000840250981 828865778 /nfs/dbraw/zinc/86/57/78/828865778.db2.gz GCZSUQOPPOBWCU-GXSJLCMTSA-N 1 1 296.302 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000858297804 828925887 /nfs/dbraw/zinc/92/58/87/828925887.db2.gz ITBXFNVBDYAKFT-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000858297804 828925906 /nfs/dbraw/zinc/92/59/06/828925906.db2.gz ITBXFNVBDYAKFT-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618773 828990725 /nfs/dbraw/zinc/99/07/25/828990725.db2.gz RZIMVPMCMAMLIT-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618773 828990731 /nfs/dbraw/zinc/99/07/31/828990731.db2.gz RZIMVPMCMAMLIT-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886245260 833353889 /nfs/dbraw/zinc/35/38/89/833353889.db2.gz PMUQUSKDHLSCLZ-LBPRGKRZSA-N 1 1 278.356 1.906 20 5 CDBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000923312302 829389403 /nfs/dbraw/zinc/38/94/03/829389403.db2.gz DNWAIWZSNZCMGP-VHSXEESVSA-N 1 1 295.364 1.965 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000923312302 829389417 /nfs/dbraw/zinc/38/94/17/829389417.db2.gz DNWAIWZSNZCMGP-VHSXEESVSA-N 1 1 295.364 1.965 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591494 833405890 /nfs/dbraw/zinc/40/58/90/833405890.db2.gz QYHWMUIILAFTMU-KGLIPLIRSA-N 1 1 294.351 1.864 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568659 829471811 /nfs/dbraw/zinc/47/18/11/829471811.db2.gz QMSSHQSQDGADEI-PHIMTYICSA-N 1 1 295.364 1.051 20 5 CDBDMO [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000723678409 829722232 /nfs/dbraw/zinc/72/22/32/829722232.db2.gz OPSJEITXAIXSMY-JTQLQIEISA-N 1 1 267.304 1.905 20 5 CDBDMO [NH3+]CC[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000723678409 829722250 /nfs/dbraw/zinc/72/22/50/829722250.db2.gz OPSJEITXAIXSMY-JTQLQIEISA-N 1 1 267.304 1.905 20 5 CDBDMO C[N@@H+](CCCCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886179377 830024632 /nfs/dbraw/zinc/02/46/32/830024632.db2.gz UFZKVJFWNYMVKF-UHFFFAOYSA-N 1 1 253.302 1.584 20 5 CDBDMO CCNC(=O)C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574142 830137779 /nfs/dbraw/zinc/13/77/79/830137779.db2.gz DHKMXYGJCRJODB-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574142 830137799 /nfs/dbraw/zinc/13/77/99/830137799.db2.gz DHKMXYGJCRJODB-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)CO ZINC000127658413 830622021 /nfs/dbraw/zinc/62/20/21/830622021.db2.gz SMLLFZOBALDLJL-UHFFFAOYSA-N 1 1 283.284 1.706 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)CO ZINC000127658413 830622025 /nfs/dbraw/zinc/62/20/25/830622025.db2.gz SMLLFZOBALDLJL-UHFFFAOYSA-N 1 1 283.284 1.706 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000851749165 830690916 /nfs/dbraw/zinc/69/09/16/830690916.db2.gz BOWYHSCZEYFEDV-JTQLQIEISA-N 1 1 297.311 1.476 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000851749165 830690956 /nfs/dbraw/zinc/69/09/56/830690956.db2.gz BOWYHSCZEYFEDV-JTQLQIEISA-N 1 1 297.311 1.476 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886264464 833833581 /nfs/dbraw/zinc/83/35/81/833833581.db2.gz ZIUZJWIZHFBNKD-MWLCHTKSSA-N 1 1 279.296 1.231 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886264464 833833582 /nfs/dbraw/zinc/83/35/82/833833582.db2.gz ZIUZJWIZHFBNKD-MWLCHTKSSA-N 1 1 279.296 1.231 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801912288 832432365 /nfs/dbraw/zinc/43/23/65/832432365.db2.gz MFPDVCQCIXNUQT-MRVPVSSYSA-N 1 1 296.302 1.092 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801912288 832432392 /nfs/dbraw/zinc/43/23/92/832432392.db2.gz MFPDVCQCIXNUQT-MRVPVSSYSA-N 1 1 296.302 1.092 20 5 CDBDMO Cn1c(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736524 833850373 /nfs/dbraw/zinc/85/03/73/833850373.db2.gz AWXMXDOQTOXZTK-JTQLQIEISA-N 1 1 295.339 1.963 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000839412209 833851994 /nfs/dbraw/zinc/85/19/94/833851994.db2.gz PDNIZWBYDMLHCC-RNCFNFMXSA-N 1 1 293.298 1.510 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000884823975 832478183 /nfs/dbraw/zinc/47/81/83/832478183.db2.gz MLOFSVDJTGKYQS-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000858319165 832845881 /nfs/dbraw/zinc/84/58/81/832845881.db2.gz CXZBVBMVHBYEER-QMMMGPOBSA-N 1 1 285.275 1.232 20 5 CDBDMO CC[NH+](CC)CC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842366454 832873744 /nfs/dbraw/zinc/87/37/44/832873744.db2.gz LBUGVXYAKHTCDY-GHMZBOCLSA-N 1 1 272.345 1.563 20 5 CDBDMO CC(C)[N@H+](C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814590 832894556 /nfs/dbraw/zinc/89/45/56/832894556.db2.gz LAIOAWTZGPBXLD-UHFFFAOYSA-N 1 1 270.333 1.898 20 5 CDBDMO CC(C)[N@@H+](C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814590 832894558 /nfs/dbraw/zinc/89/45/58/832894558.db2.gz LAIOAWTZGPBXLD-UHFFFAOYSA-N 1 1 270.333 1.898 20 5 CDBDMO CC[NH2+]Cc1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223234 833469913 /nfs/dbraw/zinc/46/99/13/833469913.db2.gz MVTTUMBLBQWPEK-UHFFFAOYSA-N 1 1 292.295 1.687 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000884826018 833776086 /nfs/dbraw/zinc/77/60/86/833776086.db2.gz CZKAKTSHRAQFHY-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO O=C1CC2(CCC2)[N@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000886315246 833894482 /nfs/dbraw/zinc/89/44/82/833894482.db2.gz CJBYYTYVGPLNMH-UHFFFAOYSA-N 1 1 290.323 1.234 20 5 CDBDMO O=C1CC2(CCC2)[N@@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000886315246 833894483 /nfs/dbraw/zinc/89/44/83/833894483.db2.gz CJBYYTYVGPLNMH-UHFFFAOYSA-N 1 1 290.323 1.234 20 5 CDBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000931170956 833991397 /nfs/dbraw/zinc/99/13/97/833991397.db2.gz QXHLKDFPSMIPOY-UHFFFAOYSA-N 1 1 261.322 1.110 20 5 CDBDMO CC[N@H+](CCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000931170956 833991340 /nfs/dbraw/zinc/99/13/40/833991340.db2.gz QXHLKDFPSMIPOY-UHFFFAOYSA-N 1 1 261.322 1.110 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844642300 834056584 /nfs/dbraw/zinc/05/65/84/834056584.db2.gz IVDCDRYBNMLXPB-IJLUTSLNSA-N 1 1 285.388 1.761 20 5 CDBDMO Cc1c(C[NH2+][C@H](C)c2cnnn2C)cccc1[N+](=O)[O-] ZINC000926268551 834062690 /nfs/dbraw/zinc/06/26/90/834062690.db2.gz HCBDMGRKNMXOQH-SNVBAGLBSA-N 1 1 275.312 1.883 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-])c1ccccc1 ZINC000929770398 834357028 /nfs/dbraw/zinc/35/70/28/834357028.db2.gz VCLCZUFNNDDCKQ-AWEZNQCLSA-N 1 1 291.351 1.548 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-])c1ccccc1 ZINC000929770398 834357040 /nfs/dbraw/zinc/35/70/40/834357040.db2.gz VCLCZUFNNDDCKQ-AWEZNQCLSA-N 1 1 291.351 1.548 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000882487863 834853227 /nfs/dbraw/zinc/85/32/27/834853227.db2.gz KMWOPQNUAZOMJX-NSHDSACASA-N 1 1 277.324 1.727 20 5 CDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839680872 834877660 /nfs/dbraw/zinc/87/76/60/834877660.db2.gz OQEKWXOQVLLPIB-YNEHKIRRSA-N 1 1 297.399 1.668 20 5 CDBDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680872 834877661 /nfs/dbraw/zinc/87/76/61/834877661.db2.gz OQEKWXOQVLLPIB-YNEHKIRRSA-N 1 1 297.399 1.668 20 5 CDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680872 834877662 /nfs/dbraw/zinc/87/76/62/834877662.db2.gz OQEKWXOQVLLPIB-YNEHKIRRSA-N 1 1 297.399 1.668 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568141 834904177 /nfs/dbraw/zinc/90/41/77/834904177.db2.gz NQRZXNHAALHCGA-YVECIDJPSA-N 1 1 297.399 1.524 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568141 834904202 /nfs/dbraw/zinc/90/42/02/834904202.db2.gz NQRZXNHAALHCGA-YVECIDJPSA-N 1 1 297.399 1.524 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568141 834904251 /nfs/dbraw/zinc/90/42/51/834904251.db2.gz NQRZXNHAALHCGA-YVECIDJPSA-N 1 1 297.399 1.524 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439762 835316987 /nfs/dbraw/zinc/31/69/87/835316987.db2.gz PXMGKVZCAWFAIL-MRVPVSSYSA-N 1 1 285.731 1.862 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c2c(c1)COCO2 ZINC000862439800 835379233 /nfs/dbraw/zinc/37/92/33/835379233.db2.gz BQOAQVJSIYNRHV-AOOOYVTPSA-N 1 1 276.292 1.913 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c2c(c1)COCO2 ZINC000862439800 835379241 /nfs/dbraw/zinc/37/92/41/835379241.db2.gz BQOAQVJSIYNRHV-AOOOYVTPSA-N 1 1 276.292 1.913 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H](O)C1 ZINC001173223360 912308552 /nfs/dbraw/zinc/30/85/52/912308552.db2.gz ZMHFIDZPOKGFJE-FZMZJTMJSA-N 1 1 280.324 1.219 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029305137 905383784 /nfs/dbraw/zinc/38/37/84/905383784.db2.gz TTXMBAQANDJFFB-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029305137 905383802 /nfs/dbraw/zinc/38/38/02/905383802.db2.gz TTXMBAQANDJFFB-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029305137 905383817 /nfs/dbraw/zinc/38/38/17/905383817.db2.gz TTXMBAQANDJFFB-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=[N+]([O-])c1ccc(O[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001226712266 905509122 /nfs/dbraw/zinc/50/91/22/905509122.db2.gz JZICGPNUAPTYEV-JTQLQIEISA-N 1 1 260.253 1.580 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC001354256599 905655816 /nfs/dbraw/zinc/65/58/16/905655816.db2.gz LSYVYRMHUVTGPT-UHFFFAOYSA-N 1 1 261.285 1.794 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001156002134 927251528 /nfs/dbraw/zinc/25/15/28/927251528.db2.gz SCYWOEUECSFYGH-UHFFFAOYSA-N 1 1 296.718 1.964 20 5 CDBDMO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963976 927587549 /nfs/dbraw/zinc/58/75/49/927587549.db2.gz RBPOMRRUNXDEIP-DCAQKATOSA-N 1 1 258.318 1.362 20 5 CDBDMO C[N@@H+](CC1CCOCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010035 927613990 /nfs/dbraw/zinc/61/39/90/927613990.db2.gz AJYFIYPOKDNIHM-OLZOCXBDSA-N 1 1 256.346 1.790 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](F)(CO)CC2)C1 ZINC001169010518 927616466 /nfs/dbraw/zinc/61/64/66/927616466.db2.gz CWOLODCJFKZKGL-AGIUHOORSA-N 1 1 274.336 1.618 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013990 927619175 /nfs/dbraw/zinc/61/91/75/927619175.db2.gz XLFQQNRUBFDGDV-DBIOUOCHSA-N 1 1 276.283 1.398 20 5 CDBDMO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035366 927644888 /nfs/dbraw/zinc/64/48/88/927644888.db2.gz KPSUNJGDKBAGPC-XQQFMLRXSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038448 927651687 /nfs/dbraw/zinc/65/16/87/927651687.db2.gz YWMYWSJRCYHORI-ONGXEEELSA-N 1 1 296.758 1.934 20 5 CDBDMO C[N@H+](C1CC1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039923 927655093 /nfs/dbraw/zinc/65/50/93/927655093.db2.gz VVMHGVXYAOJIML-IUODEOHRSA-N 1 1 281.400 1.990 20 5 CDBDMO C[N@@H+](C1CC1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039923 927655099 /nfs/dbraw/zinc/65/50/99/927655099.db2.gz VVMHGVXYAOJIML-IUODEOHRSA-N 1 1 281.400 1.990 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019022 927659188 /nfs/dbraw/zinc/65/91/88/927659188.db2.gz GEGJZZQUFIUJCB-HUUCEWRRSA-N 1 1 293.411 1.850 20 5 CDBDMO CCN1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024817 927662556 /nfs/dbraw/zinc/66/25/56/927662556.db2.gz RAYVDGHUDXGOFW-BYNSBNAKSA-N 1 1 297.399 1.084 20 5 CDBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023904 927663540 /nfs/dbraw/zinc/66/35/40/927663540.db2.gz GLKDBPMTQWDTSI-IZXDZPFWSA-N 1 1 284.356 1.310 20 5 CDBDMO C[N@@H+]1CCc2c(N[C@H]3COC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001169123478 927732419 /nfs/dbraw/zinc/73/24/19/927732419.db2.gz IFXBXVJRSWADES-SECBINFHSA-N 1 1 291.307 1.310 20 5 CDBDMO C[N@H+]1CCc2c(N[C@H]3COC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001169123478 927732429 /nfs/dbraw/zinc/73/24/29/927732429.db2.gz IFXBXVJRSWADES-SECBINFHSA-N 1 1 291.307 1.310 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c(N)n1 ZINC001156980216 938442908 /nfs/dbraw/zinc/44/29/08/938442908.db2.gz FOMSBFXGIRLZSP-UHFFFAOYSA-N 1 1 274.284 1.470 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157001186 938445010 /nfs/dbraw/zinc/44/50/10/938445010.db2.gz KGDWYXOGACYYOP-VIFPVBQESA-N 1 1 299.762 1.957 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+](C)CC23CCCC3)n1 ZINC001158408936 938619182 /nfs/dbraw/zinc/61/91/82/938619182.db2.gz SKNPHGMIAKZETI-UHFFFAOYSA-N 1 1 291.355 1.758 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3CC[C@@H]3C2)nc1Cl ZINC001158423927 938622147 /nfs/dbraw/zinc/62/21/47/938622147.db2.gz OSEPADWPKJKZJL-SECBINFHSA-N 1 1 282.731 1.846 20 5 CDBDMO CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C[C@@H]1C ZINC001158495562 938629873 /nfs/dbraw/zinc/62/98/73/938629873.db2.gz XSWNKCFAWFNNJJ-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2nccc(N)c2[N+](=O)[O-])C1 ZINC001165273686 939538477 /nfs/dbraw/zinc/53/84/77/939538477.db2.gz UGXVPDYJJOPZCO-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO Cc1c(Nc2c[nH+]ncc2N)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290590 940746130 /nfs/dbraw/zinc/74/61/30/940746130.db2.gz HHBZCOKKOQLOBL-UHFFFAOYSA-N 1 1 290.239 1.927 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1COC[C@@H]1C[N@H+](C)CCO1 ZINC001223945911 941708743 /nfs/dbraw/zinc/70/87/43/941708743.db2.gz ORAYTGPZQDYUJY-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1COC[C@@H]1C[N@@H+](C)CCO1 ZINC001223945911 941708744 /nfs/dbraw/zinc/70/87/44/941708744.db2.gz ORAYTGPZQDYUJY-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3F)[C@H]1CC(=O)C2 ZINC001225794641 941914095 /nfs/dbraw/zinc/91/40/95/941914095.db2.gz VWSPBWANKNHZSE-KDDOJWQBSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3F)[C@H]1CC(=O)C2 ZINC001225794641 941914099 /nfs/dbraw/zinc/91/40/99/941914099.db2.gz VWSPBWANKNHZSE-KDDOJWQBSA-N 1 1 294.282 1.917 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001227065712 942125659 /nfs/dbraw/zinc/12/56/59/942125659.db2.gz XYUCMSXDLSQXHV-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227480382 942180426 /nfs/dbraw/zinc/18/04/26/942180426.db2.gz MMAYPYQOMHUIQX-MRCXROJRSA-N 1 1 276.292 1.778 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227480382 942180428 /nfs/dbraw/zinc/18/04/28/942180428.db2.gz MMAYPYQOMHUIQX-MRCXROJRSA-N 1 1 276.292 1.778 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229055843 942412891 /nfs/dbraw/zinc/41/28/91/942412891.db2.gz FSADYQQHFHVCOP-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+](CCCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231064314 942773016 /nfs/dbraw/zinc/77/30/16/942773016.db2.gz FEBIEQJSDZRFPC-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001261220681 946002967 /nfs/dbraw/zinc/00/29/67/946002967.db2.gz WDNBSGLFHYNSRX-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO COC(=O)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593249 947545698 /nfs/dbraw/zinc/54/56/98/947545698.db2.gz KKOZJLYTCZOQRC-FZMZJTMJSA-N 1 1 290.319 1.557 20 5 CDBDMO CCNC(=O)C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599718 947550161 /nfs/dbraw/zinc/55/01/61/947550161.db2.gz PHSRCYWYTORDKC-ZDUSSCGKSA-N 1 1 277.324 1.130 20 5 CDBDMO CCNC(=O)C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599718 947550164 /nfs/dbraw/zinc/55/01/64/947550164.db2.gz PHSRCYWYTORDKC-ZDUSSCGKSA-N 1 1 277.324 1.130 20 5 CDBDMO N[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582435 948309480 /nfs/dbraw/zinc/30/94/80/948309480.db2.gz MKSXWJMJBKLLDO-OLZOCXBDSA-N 1 1 297.305 1.730 20 5 CDBDMO N[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582435 948309490 /nfs/dbraw/zinc/30/94/90/948309490.db2.gz MKSXWJMJBKLLDO-OLZOCXBDSA-N 1 1 297.305 1.730 20 5 CDBDMO [NH3+][C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582435 948309505 /nfs/dbraw/zinc/30/95/05/948309505.db2.gz MKSXWJMJBKLLDO-OLZOCXBDSA-N 1 1 297.305 1.730 20 5 CDBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001332730302 957696556 /nfs/dbraw/zinc/69/65/56/957696556.db2.gz PVIWVNDGTURXFW-QWRGUYRKSA-N 1 1 287.360 1.498 20 5 CDBDMO COc1ccc(C[N@@H+](CC[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC001351187972 966882885 /nfs/dbraw/zinc/88/28/85/966882885.db2.gz XFKAXVSVFLNMOS-OAHLLOKOSA-N 1 1 296.367 1.791 20 5 CDBDMO CN(C)C(=O)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601100947 342464054 /nfs/dbraw/zinc/46/40/54/342464054.db2.gz QLNZWESBPBUJLO-UHFFFAOYSA-N 1 1 288.307 1.667 20 5 CDBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000609450622 342467917 /nfs/dbraw/zinc/46/79/17/342467917.db2.gz OQYLVAYDKNJTIS-SNVBAGLBSA-N 1 1 292.339 1.095 20 5 CDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000609450622 342467918 /nfs/dbraw/zinc/46/79/18/342467918.db2.gz OQYLVAYDKNJTIS-SNVBAGLBSA-N 1 1 292.339 1.095 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCS(=O)CC3)c2c1 ZINC000601114688 342471801 /nfs/dbraw/zinc/47/18/01/342471801.db2.gz VHMKTGYFQBTJCS-UHFFFAOYSA-N 1 1 291.332 1.712 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175497 343976119 /nfs/dbraw/zinc/97/61/19/343976119.db2.gz CXXYEKBTGYBSTF-LLVKDONJSA-N 1 1 281.312 1.082 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129282 342473884 /nfs/dbraw/zinc/47/38/84/342473884.db2.gz PKDLINWPBGPCPD-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190627 342488342 /nfs/dbraw/zinc/48/83/42/342488342.db2.gz ATTPPWLLZPJZDS-JTQLQIEISA-N 1 1 265.317 1.305 20 5 CDBDMO C[C@@H](C[S@@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601140944 342479906 /nfs/dbraw/zinc/47/99/06/342479906.db2.gz DNDTZLROOQSFQI-GWNMQOMSSA-N 1 1 293.348 1.744 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879247 342516163 /nfs/dbraw/zinc/51/61/63/342516163.db2.gz VPFONTMVOCKYDI-ZDUSSCGKSA-N 1 1 262.313 1.522 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199184 343979242 /nfs/dbraw/zinc/97/92/42/343979242.db2.gz GTACXMSZSHSWCV-NSHDSACASA-N 1 1 265.313 1.382 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601363425 342557115 /nfs/dbraw/zinc/55/71/15/342557115.db2.gz PEXXKFDKTYKIKI-UHFFFAOYSA-N 1 1 267.260 1.169 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600311587 342077290 /nfs/dbraw/zinc/07/72/90/342077290.db2.gz PSYXFCHUJYOVJX-NSHDSACASA-N 1 1 294.355 1.395 20 5 CDBDMO [NH3+]C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000342601838 539042087 /nfs/dbraw/zinc/04/20/87/539042087.db2.gz YGQDRSRYKCFQRH-UHFFFAOYSA-N 1 1 289.295 1.082 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818461 342222564 /nfs/dbraw/zinc/22/25/64/342222564.db2.gz UGSWTIHNZYCRIE-NSHDSACASA-N 1 1 293.371 1.787 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873683 342972892 /nfs/dbraw/zinc/97/28/92/342972892.db2.gz KWPBZMPONFILKS-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000108347068 349736597 /nfs/dbraw/zinc/73/65/97/349736597.db2.gz SGZVTYZKKFMXGG-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO CCCC[N@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595307779 343031525 /nfs/dbraw/zinc/03/15/25/343031525.db2.gz LZOWFLNGYCVUIQ-UHFFFAOYSA-N 1 1 257.290 1.486 20 5 CDBDMO CCCC[N@@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595307779 343031527 /nfs/dbraw/zinc/03/15/27/343031527.db2.gz LZOWFLNGYCVUIQ-UHFFFAOYSA-N 1 1 257.290 1.486 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396490 343047564 /nfs/dbraw/zinc/04/75/64/343047564.db2.gz VWYGRIVMPXMGSY-WDEREUQCSA-N 1 1 281.312 1.750 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595429628 343058097 /nfs/dbraw/zinc/05/80/97/343058097.db2.gz SDUXCIPKBRUNGB-QWRGUYRKSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595429628 343058101 /nfs/dbraw/zinc/05/81/01/343058101.db2.gz SDUXCIPKBRUNGB-QWRGUYRKSA-N 1 1 283.328 1.874 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075841735 342317875 /nfs/dbraw/zinc/31/78/75/342317875.db2.gz YPBCAUMRDSDLJM-ZDUSSCGKSA-N 1 1 280.324 1.819 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000595437826 343060689 /nfs/dbraw/zinc/06/06/89/343060689.db2.gz JZRMPDJODMPHGT-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@]2(C)CO)c1[N+](=O)[O-] ZINC000595437826 343060691 /nfs/dbraw/zinc/06/06/91/343060691.db2.gz JZRMPDJODMPHGT-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO CCC[C@@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595482138 343065490 /nfs/dbraw/zinc/06/54/90/343065490.db2.gz ICLJOJIJTUWHRO-GFCCVEGCSA-N 1 1 269.301 1.940 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000294980669 199282868 /nfs/dbraw/zinc/28/28/68/199282868.db2.gz PCXOMUPTHZAVPQ-NSHDSACASA-N 1 1 280.328 1.249 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000595737471 343135768 /nfs/dbraw/zinc/13/57/68/343135768.db2.gz QHABOQUALXNWEA-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595737471 343135770 /nfs/dbraw/zinc/13/57/70/343135770.db2.gz QHABOQUALXNWEA-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O)(CO)CC1 ZINC000597207263 343474786 /nfs/dbraw/zinc/47/47/86/343474786.db2.gz UMTOZIVGNRFVQW-HYXAFXHYSA-N 1 1 292.335 1.427 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601578280 344197200 /nfs/dbraw/zinc/19/72/00/344197200.db2.gz YGUFUEIQCMCPKO-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601578280 344197202 /nfs/dbraw/zinc/19/72/02/344197202.db2.gz YGUFUEIQCMCPKO-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602108866 344337770 /nfs/dbraw/zinc/33/77/70/344337770.db2.gz KYVFXEUFMLMEEU-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162249957 529980514 /nfs/dbraw/zinc/98/05/14/529980514.db2.gz WAYQVJKDDHMIPF-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOCCF)nc2c1 ZINC000602714140 344554118 /nfs/dbraw/zinc/55/41/18/344554118.db2.gz GUIAOMOEIICKJI-UHFFFAOYSA-N 1 1 283.259 1.812 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000602819493 344608667 /nfs/dbraw/zinc/60/86/67/344608667.db2.gz DCTCLGSATCAZGF-LLVKDONJSA-N 1 1 296.371 1.583 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000602788051 344600246 /nfs/dbraw/zinc/60/02/46/344600246.db2.gz QPLFIOMBLXWAKI-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000602788051 344600248 /nfs/dbraw/zinc/60/02/48/344600248.db2.gz QPLFIOMBLXWAKI-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000604013627 344852222 /nfs/dbraw/zinc/85/22/22/344852222.db2.gz XROPOSOLXHFAIY-BETUJISGSA-N 1 1 291.351 1.515 20 5 CDBDMO CN1CC[N@H+](C)C[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148529395 362750158 /nfs/dbraw/zinc/75/01/58/362750158.db2.gz OYQPDVXMCODJKW-SNVBAGLBSA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148529395 362750164 /nfs/dbraw/zinc/75/01/64/362750164.db2.gz OYQPDVXMCODJKW-SNVBAGLBSA-N 1 1 299.762 1.301 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000611082430 346601284 /nfs/dbraw/zinc/60/12/84/346601284.db2.gz FUFNKQHHINDHOW-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000611082430 346601285 /nfs/dbraw/zinc/60/12/85/346601285.db2.gz FUFNKQHHINDHOW-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO CC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084425 346603367 /nfs/dbraw/zinc/60/33/67/346603367.db2.gz ZRHUWJLYHXWKGI-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795244 348157582 /nfs/dbraw/zinc/15/75/82/348157582.db2.gz URSHFVKPLVZEJE-PSASIEDQSA-N 1 1 267.333 1.531 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000063116959 348918927 /nfs/dbraw/zinc/91/89/27/348918927.db2.gz KTTAEHWPMMYMHH-UHFFFAOYSA-N 1 1 263.297 1.419 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCc1c[nH+]c(N(C)C)n1C ZINC000271346119 191087029 /nfs/dbraw/zinc/08/70/29/191087029.db2.gz SEWVHYTVIYIIJW-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000311460611 350685746 /nfs/dbraw/zinc/68/57/46/350685746.db2.gz LUQCVFVFFDEHNF-NSHDSACASA-N 1 1 268.313 1.595 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267853 186382691 /nfs/dbraw/zinc/38/26/91/186382691.db2.gz SYCFUWKAYNWESU-ZDUSSCGKSA-N 1 1 291.351 1.595 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cccc(F)c3C2)n1 ZINC000158087919 188356544 /nfs/dbraw/zinc/35/65/44/188356544.db2.gz SWZPLXJUKKIZLY-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cccc(F)c3C2)n1 ZINC000158087919 188356545 /nfs/dbraw/zinc/35/65/45/188356545.db2.gz SWZPLXJUKKIZLY-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000121561676 366127290 /nfs/dbraw/zinc/12/72/90/366127290.db2.gz YUQBWJYVTTXFBD-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508325 356283840 /nfs/dbraw/zinc/28/38/40/356283840.db2.gz HKWHNUURSBUOFY-STQMWFEESA-N 1 1 282.344 1.417 20 5 CDBDMO COCCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181577678 357362338 /nfs/dbraw/zinc/36/23/38/357362338.db2.gz NPAGAVPEYLSRDT-GFCCVEGCSA-N 1 1 298.339 1.303 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182204650 357419571 /nfs/dbraw/zinc/41/95/71/357419571.db2.gz SXPCWBNGXOUGFC-GFCCVEGCSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@H](O)CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072713180 357849389 /nfs/dbraw/zinc/84/93/89/357849389.db2.gz YAPAFGFPYPXLMN-NSHDSACASA-N 1 1 295.339 1.260 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072713180 357849395 /nfs/dbraw/zinc/84/93/95/357849395.db2.gz YAPAFGFPYPXLMN-NSHDSACASA-N 1 1 295.339 1.260 20 5 CDBDMO COC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189433660 358011507 /nfs/dbraw/zinc/01/15/07/358011507.db2.gz RHHBDBFHYXYGQM-SWLSCSKDSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189433660 358011509 /nfs/dbraw/zinc/01/15/09/358011509.db2.gz RHHBDBFHYXYGQM-SWLSCSKDSA-N 1 1 294.351 1.873 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239394 358745632 /nfs/dbraw/zinc/74/56/32/358745632.db2.gz NSIBMMSEFUQGKI-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000176239394 358745633 /nfs/dbraw/zinc/74/56/33/358745633.db2.gz NSIBMMSEFUQGKI-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000176245129 358750388 /nfs/dbraw/zinc/75/03/88/358750388.db2.gz ONVCNXFKMPBMRK-UHFFFAOYSA-N 1 1 252.318 1.913 20 5 CDBDMO C[C@H]1c2cccn2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176197642 358736697 /nfs/dbraw/zinc/73/66/97/358736697.db2.gz HFPFQJLUUCOASU-NSHDSACASA-N 1 1 275.312 1.670 20 5 CDBDMO C[C@H]1c2cccn2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176197642 358736699 /nfs/dbraw/zinc/73/66/99/358736699.db2.gz HFPFQJLUUCOASU-NSHDSACASA-N 1 1 275.312 1.670 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000048346865 359201693 /nfs/dbraw/zinc/20/16/93/359201693.db2.gz PQVXAQNNIRAZID-CQSZACIVSA-N 1 1 264.325 1.984 20 5 CDBDMO CC[N@@H+](CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339010132 359273746 /nfs/dbraw/zinc/27/37/46/359273746.db2.gz BKGXOYMYQSFXAT-UHFFFAOYSA-N 1 1 254.286 1.505 20 5 CDBDMO CCN(CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339010132 359273748 /nfs/dbraw/zinc/27/37/48/359273748.db2.gz BKGXOYMYQSFXAT-UHFFFAOYSA-N 1 1 254.286 1.505 20 5 CDBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000073000361 360048140 /nfs/dbraw/zinc/04/81/40/360048140.db2.gz VWPGBVATDCCUKJ-SNVBAGLBSA-N 1 1 262.313 1.947 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177129733 189030939 /nfs/dbraw/zinc/03/09/39/189030939.db2.gz QIGDRIZSVOSRCW-JQWIXIFHSA-N 1 1 289.335 1.950 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000080611192 361314963 /nfs/dbraw/zinc/31/49/63/361314963.db2.gz GKLLQJZHTZACIN-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(N)n1 ZINC000301587228 201084543 /nfs/dbraw/zinc/08/45/43/201084543.db2.gz RTZBVIUYWDFIAB-ZJUUUORDSA-N 1 1 292.343 1.030 20 5 CDBDMO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053251028 361403034 /nfs/dbraw/zinc/40/30/34/361403034.db2.gz LHCHQCJUFMMNAL-LLVKDONJSA-N 1 1 292.339 1.343 20 5 CDBDMO CC(C)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000351310500 361638230 /nfs/dbraw/zinc/63/82/30/361638230.db2.gz ZZBMCCWSESKDMF-LLVKDONJSA-N 1 1 268.317 1.148 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000351310500 361638235 /nfs/dbraw/zinc/63/82/35/361638235.db2.gz ZZBMCCWSESKDMF-LLVKDONJSA-N 1 1 268.317 1.148 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919415 364206479 /nfs/dbraw/zinc/20/64/79/364206479.db2.gz VUMZAYISLGPGEH-RKDXNWHRSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919415 364206485 /nfs/dbraw/zinc/20/64/85/364206485.db2.gz VUMZAYISLGPGEH-RKDXNWHRSA-N 1 1 254.261 1.689 20 5 CDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457074087 365374690 /nfs/dbraw/zinc/37/46/90/365374690.db2.gz LANZHKJAORUTPE-UHFFFAOYSA-N 1 1 280.328 1.527 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000414483828 241223741 /nfs/dbraw/zinc/22/37/41/241223741.db2.gz FWDVYOHTHSWSPV-KBPBESRZSA-N 1 1 280.324 1.485 20 5 CDBDMO COc1cc(N2CCC[N@@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271125477 366970846 /nfs/dbraw/zinc/97/08/46/366970846.db2.gz ZNFUUTVDNSOYQW-UHFFFAOYSA-N 1 1 283.303 1.884 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090520407 367568582 /nfs/dbraw/zinc/56/85/82/367568582.db2.gz HRGNRKFXKRZYTR-GFCCVEGCSA-N 1 1 279.340 1.879 20 5 CDBDMO CCOC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441249799 368757509 /nfs/dbraw/zinc/75/75/09/368757509.db2.gz PARFOYWUMNETTH-CQSZACIVSA-N 1 1 294.351 1.957 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330889053 203355259 /nfs/dbraw/zinc/35/52/59/203355259.db2.gz BBHKBXVYUTUDFE-DGCLKSJQSA-N 1 1 291.351 1.736 20 5 CDBDMO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926476 370354827 /nfs/dbraw/zinc/35/48/27/370354827.db2.gz NHCYHWVBVGETMW-NWDGAFQWSA-N 1 1 279.340 1.963 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)C2CC2)c1 ZINC000269630400 373193153 /nfs/dbraw/zinc/19/31/53/373193153.db2.gz FHRSAMXNDRQGJF-ZDUSSCGKSA-N 1 1 266.297 1.085 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635533 373244363 /nfs/dbraw/zinc/24/43/63/373244363.db2.gz HGUFBRHZDGWUIY-RISCZKNCSA-N 1 1 280.324 1.597 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647255 373293127 /nfs/dbraw/zinc/29/31/27/373293127.db2.gz LDXRCDSKLBLJJS-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301301188 373504444 /nfs/dbraw/zinc/50/44/44/373504444.db2.gz VCOOUKZBDAJISG-NSHDSACASA-N 1 1 281.360 1.781 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CC2)c2c(c1)COCO2 ZINC000298713040 373805965 /nfs/dbraw/zinc/80/59/65/373805965.db2.gz BGLCYVGIVODDOF-UHFFFAOYSA-N 1 1 294.307 1.418 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CC2)c2c(c1)COCO2 ZINC000298713040 373805968 /nfs/dbraw/zinc/80/59/68/373805968.db2.gz BGLCYVGIVODDOF-UHFFFAOYSA-N 1 1 294.307 1.418 20 5 CDBDMO C[C@@H]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000422638196 374354926 /nfs/dbraw/zinc/35/49/26/374354926.db2.gz PXKZKJSIPKPLPM-IJLUTSLNSA-N 1 1 281.360 1.097 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484580 374385694 /nfs/dbraw/zinc/38/56/94/374385694.db2.gz YPTOSGLJHWQCGA-PWSUYJOCSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@H]([NH3+])CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484580 374385703 /nfs/dbraw/zinc/38/57/03/374385703.db2.gz YPTOSGLJHWQCGA-PWSUYJOCSA-N 1 1 251.330 1.853 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000376645476 374566601 /nfs/dbraw/zinc/56/66/01/374566601.db2.gz UNQVEXJUMDGHLK-NEPJUHHUSA-N 1 1 293.371 1.244 20 5 CDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000331989017 374996464 /nfs/dbraw/zinc/99/64/64/374996464.db2.gz NNWYTAFQCUHWJG-WDEREUQCSA-N 1 1 292.339 1.622 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282216219 375073807 /nfs/dbraw/zinc/07/38/07/375073807.db2.gz DPXGUJHBUQXHSK-QPUJVOFHSA-N 1 1 297.742 1.862 20 5 CDBDMO Cc1ccnc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489882193 375189548 /nfs/dbraw/zinc/18/95/48/375189548.db2.gz HHBJSZQDAOHAJH-JTQLQIEISA-N 1 1 273.296 1.922 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275595 375295815 /nfs/dbraw/zinc/29/58/15/375295815.db2.gz HAEMVDQXWASPQR-SNVBAGLBSA-N 1 1 265.317 1.589 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CO ZINC000132245605 375425698 /nfs/dbraw/zinc/42/56/98/375425698.db2.gz IGLNMHBXVNDQLG-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CO ZINC000132245605 375425702 /nfs/dbraw/zinc/42/57/02/375425702.db2.gz IGLNMHBXVNDQLG-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000075581982 377830115 /nfs/dbraw/zinc/83/01/15/377830115.db2.gz NQAIGHWSBFAXKD-SNVBAGLBSA-N 1 1 293.323 1.884 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000075581982 377830120 /nfs/dbraw/zinc/83/01/20/377830120.db2.gz NQAIGHWSBFAXKD-SNVBAGLBSA-N 1 1 293.323 1.884 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266912159 378658963 /nfs/dbraw/zinc/65/89/63/378658963.db2.gz LUFZVXSJTUESIF-UHFFFAOYSA-N 1 1 283.332 1.088 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000173620033 378729175 /nfs/dbraw/zinc/72/91/75/378729175.db2.gz AGIGJCFYWKJPQW-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO Cn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000446837571 250319145 /nfs/dbraw/zinc/31/91/45/250319145.db2.gz YEQWWAQLNUDXQJ-UHFFFAOYSA-N 1 1 286.295 1.494 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174863647 379596525 /nfs/dbraw/zinc/59/65/25/379596525.db2.gz XHXUZKNIQPDCIX-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO Cn1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458180998 252537691 /nfs/dbraw/zinc/53/76/91/252537691.db2.gz ZDVAVZRCKCGOSH-NSHDSACASA-N 1 1 294.355 1.395 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@H+](CCCO)C1 ZINC000450613726 251366663 /nfs/dbraw/zinc/36/66/63/251366663.db2.gz MOJLTZPJGGZUGW-LBPRGKRZSA-N 1 1 297.330 1.993 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577208 254090066 /nfs/dbraw/zinc/09/00/66/254090066.db2.gz RUJAWBKOBFOEOO-QWRGUYRKSA-N 1 1 281.360 1.861 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819784 195396602 /nfs/dbraw/zinc/39/66/02/195396602.db2.gz WUPZKWAOPDTHKE-JQWIXIFHSA-N 1 1 268.317 1.291 20 5 CDBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000048611093 390450210 /nfs/dbraw/zinc/45/02/10/390450210.db2.gz UGPZQEGDMBFRJH-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000048611093 390450215 /nfs/dbraw/zinc/45/02/15/390450215.db2.gz UGPZQEGDMBFRJH-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363487735 390906315 /nfs/dbraw/zinc/90/63/15/390906315.db2.gz FOMCRNHAWFDZML-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363487735 390906317 /nfs/dbraw/zinc/90/63/17/390906317.db2.gz FOMCRNHAWFDZML-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(=O)OCC ZINC000411648193 390967435 /nfs/dbraw/zinc/96/74/35/390967435.db2.gz NBZXDOYLDGMFDD-NSHDSACASA-N 1 1 298.343 1.455 20 5 CDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)C(=O)OCC ZINC000411648193 390967436 /nfs/dbraw/zinc/96/74/36/390967436.db2.gz NBZXDOYLDGMFDD-NSHDSACASA-N 1 1 298.343 1.455 20 5 CDBDMO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356633580 391083480 /nfs/dbraw/zinc/08/34/80/391083480.db2.gz XAUFYKCGAOGIMQ-VIFPVBQESA-N 1 1 281.312 1.370 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728882 130016830 /nfs/dbraw/zinc/01/68/30/130016830.db2.gz KSZBBIGRRKDHLI-GXFFZTMASA-N 1 1 250.298 1.798 20 5 CDBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190020543 130051747 /nfs/dbraw/zinc/05/17/47/130051747.db2.gz RIWPIYWNSMTUQX-UHFFFAOYSA-N 1 1 256.327 1.861 20 5 CDBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190020543 130051751 /nfs/dbraw/zinc/05/17/51/130051751.db2.gz RIWPIYWNSMTUQX-UHFFFAOYSA-N 1 1 256.327 1.861 20 5 CDBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000193410657 393333746 /nfs/dbraw/zinc/33/37/46/393333746.db2.gz ONRJGJRNTCENKB-QWRGUYRKSA-N 1 1 294.355 1.698 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275369287 135105117 /nfs/dbraw/zinc/10/51/17/135105117.db2.gz NAVFAGSEMKUHAH-WDEREUQCSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000174836629 147964431 /nfs/dbraw/zinc/96/44/31/147964431.db2.gz SMLKVZWRKYFPGL-UHFFFAOYSA-N 1 1 264.329 1.912 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000314986855 149257027 /nfs/dbraw/zinc/25/70/27/149257027.db2.gz RBDIEZOXTARHMU-JTQLQIEISA-N 1 1 294.355 1.834 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000356089324 157349468 /nfs/dbraw/zinc/34/94/68/157349468.db2.gz UQDNPBGCIGFSLC-BDAKNGLRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C ZINC000356089324 157349472 /nfs/dbraw/zinc/34/94/72/157349472.db2.gz UQDNPBGCIGFSLC-BDAKNGLRSA-N 1 1 266.301 1.088 20 5 CDBDMO Cc1nn(C)c(NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000358917198 158071277 /nfs/dbraw/zinc/07/12/77/158071277.db2.gz AXRLTGXFEKSFAS-UHFFFAOYSA-N 1 1 290.327 1.864 20 5 CDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC1 ZINC000285571883 196331284 /nfs/dbraw/zinc/33/12/84/196331284.db2.gz SMHZSSJTEBJXJN-UHFFFAOYSA-N 1 1 294.307 1.418 20 5 CDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CC1 ZINC000285571883 196331286 /nfs/dbraw/zinc/33/12/86/196331286.db2.gz SMHZSSJTEBJXJN-UHFFFAOYSA-N 1 1 294.307 1.418 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CCO ZINC000049801360 424449039 /nfs/dbraw/zinc/44/90/39/424449039.db2.gz RIGXNWWJUWHBBW-GFCCVEGCSA-N 1 1 282.344 1.337 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000273696967 276234363 /nfs/dbraw/zinc/23/43/63/276234363.db2.gz CDUOGICHPWVRMN-MNOVXSKESA-N 1 1 277.328 1.448 20 5 CDBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000266056144 277004228 /nfs/dbraw/zinc/00/42/28/277004228.db2.gz XZFZCVMAQDPNGB-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1c([N+](=O)[O-])ncn1C ZINC000029624053 279137501 /nfs/dbraw/zinc/13/75/01/279137501.db2.gz ONVJRAZZPSKRQW-UHFFFAOYSA-N 1 1 255.322 1.471 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299498294 279385201 /nfs/dbraw/zinc/38/52/01/279385201.db2.gz HGMZCLDHYGTSIY-UHFFFAOYSA-N 1 1 276.300 1.435 20 5 CDBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000337021198 280106924 /nfs/dbraw/zinc/10/69/24/280106924.db2.gz RJLYPBIEIQUAAS-YUMQZZPRSA-N 1 1 256.331 1.946 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000236884008 280144154 /nfs/dbraw/zinc/14/41/54/280144154.db2.gz LSFHYOWUWCYNAH-VIFPVBQESA-N 1 1 295.343 1.081 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000352774797 281020479 /nfs/dbraw/zinc/02/04/79/281020479.db2.gz XABWLKLXMVPDTB-GXFFZTMASA-N 1 1 277.324 1.785 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000352774797 281020480 /nfs/dbraw/zinc/02/04/80/281020480.db2.gz XABWLKLXMVPDTB-GXFFZTMASA-N 1 1 277.324 1.785 20 5 CDBDMO C[N@H+]1CC[C@](O)(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494195 324206714 /nfs/dbraw/zinc/20/67/14/324206714.db2.gz GPACXNCDOVQPQY-ZFWWWQNUSA-N 1 1 291.351 1.238 20 5 CDBDMO CN1CC[C@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494195 324206716 /nfs/dbraw/zinc/20/67/16/324206716.db2.gz GPACXNCDOVQPQY-ZFWWWQNUSA-N 1 1 291.351 1.238 20 5 CDBDMO C[C@H]1CCNC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580817 324221569 /nfs/dbraw/zinc/22/15/69/324221569.db2.gz MYMWKTWHTXKUCZ-FZMZJTMJSA-N 1 1 279.340 1.561 20 5 CDBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615341 523436013 /nfs/dbraw/zinc/43/60/13/523436013.db2.gz GFROVFBPSCTIQP-MNOVXSKESA-N 1 1 252.318 1.912 20 5 CDBDMO CCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666938 /nfs/dbraw/zinc/66/69/38/523666938.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666949 /nfs/dbraw/zinc/66/69/49/523666949.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666962 /nfs/dbraw/zinc/66/69/62/523666962.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397203 /nfs/dbraw/zinc/39/72/03/525397203.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397210 /nfs/dbraw/zinc/39/72/10/525397210.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 1 1 292.383 1.491 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338623978 527391777 /nfs/dbraw/zinc/39/17/77/527391777.db2.gz JCDDOTDPLFTUNL-CYBMUJFWSA-N 1 1 284.287 1.380 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338623978 527391783 /nfs/dbraw/zinc/39/17/83/527391783.db2.gz JCDDOTDPLFTUNL-CYBMUJFWSA-N 1 1 284.287 1.380 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774002578 575847860 /nfs/dbraw/zinc/84/78/60/575847860.db2.gz YIVDZUUWFSFZFQ-NSHDSACASA-N 1 1 296.327 1.127 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774002578 575847861 /nfs/dbraw/zinc/84/78/61/575847861.db2.gz YIVDZUUWFSFZFQ-NSHDSACASA-N 1 1 296.327 1.127 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348557 576676341 /nfs/dbraw/zinc/67/63/41/576676341.db2.gz UWFKTNNHGXCZPN-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000750050084 576973739 /nfs/dbraw/zinc/97/37/39/576973739.db2.gz ALANKIOREVJXIE-IUODEOHRSA-N 1 1 294.351 1.723 20 5 CDBDMO C[C@H]1COCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117454 576976434 /nfs/dbraw/zinc/97/64/34/576976434.db2.gz WCBLSUDOLFXBKK-FZMZJTMJSA-N 1 1 280.324 1.739 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000756841702 577007726 /nfs/dbraw/zinc/00/77/26/577007726.db2.gz HVMRTXGUQCVRHA-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000756841702 577007728 /nfs/dbraw/zinc/00/77/28/577007728.db2.gz HVMRTXGUQCVRHA-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H]1COC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932487379 617314397 /nfs/dbraw/zinc/31/43/97/617314397.db2.gz AFMKQSPUQXLOOO-KRTXAFLBSA-N 1 1 272.251 1.998 20 5 CDBDMO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589349 613896392 /nfs/dbraw/zinc/89/63/92/613896392.db2.gz UIIARXMENICLSA-XJFOESAGSA-N 1 1 295.383 1.230 20 5 CDBDMO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589349 613896394 /nfs/dbraw/zinc/89/63/94/613896394.db2.gz UIIARXMENICLSA-XJFOESAGSA-N 1 1 295.383 1.230 20 5 CDBDMO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589349 613896396 /nfs/dbraw/zinc/89/63/96/613896396.db2.gz UIIARXMENICLSA-XJFOESAGSA-N 1 1 295.383 1.230 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000892186225 617536803 /nfs/dbraw/zinc/53/68/03/617536803.db2.gz RIDBSVCJPNIVPU-CYBMUJFWSA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000892186225 617536806 /nfs/dbraw/zinc/53/68/06/617536806.db2.gz RIDBSVCJPNIVPU-CYBMUJFWSA-N 1 1 282.296 1.266 20 5 CDBDMO COCCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891817976 617608463 /nfs/dbraw/zinc/60/84/63/617608463.db2.gz GTYWGEUKZGGMGZ-UHFFFAOYSA-N 1 1 284.312 1.777 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]1CO ZINC000934021902 617861062 /nfs/dbraw/zinc/86/10/62/617861062.db2.gz SCOITXDOBRBDED-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000893719316 617971819 /nfs/dbraw/zinc/97/18/19/617971819.db2.gz LGLSTNUOMDGQHK-AWEZNQCLSA-N 1 1 296.323 1.656 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000895245406 619486433 /nfs/dbraw/zinc/48/64/33/619486433.db2.gz ASXSLXJZOAKESP-IINYFYTJSA-N 1 1 296.346 1.780 20 5 CDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC000905160328 626642415 /nfs/dbraw/zinc/64/24/15/626642415.db2.gz RUTMQOXJAUDSTQ-CYBMUJFWSA-N 1 1 280.324 1.529 20 5 CDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000905159999 626642537 /nfs/dbraw/zinc/64/25/37/626642537.db2.gz PTNOHTMUGMPMLZ-CQSZACIVSA-N 1 1 294.351 1.919 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000910271517 628945199 /nfs/dbraw/zinc/94/51/99/628945199.db2.gz RVGZTDFIJCLNOJ-LBPRGKRZSA-N 1 1 285.388 1.765 20 5 CDBDMO Cc1cc(=O)n(C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000917221605 632177793 /nfs/dbraw/zinc/17/77/93/632177793.db2.gz YUJKFKCQKJEQJT-SNVBAGLBSA-N 1 1 251.286 1.159 20 5 CDBDMO COc1ccc(C[C@H](C)n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170306435 1162329403 /nfs/dbraw/zinc/32/94/03/1162329403.db2.gz VADHROSLVXAGNR-VIFPVBQESA-N 1 1 291.311 1.457 20 5 CDBDMO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966806 1161996293 /nfs/dbraw/zinc/99/62/93/1161996293.db2.gz LGGGGFCPJJTWNH-UONOGXRCSA-N 1 1 292.335 1.765 20 5 CDBDMO Cc1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408068095 719154113 /nfs/dbraw/zinc/15/41/13/719154113.db2.gz RKRZROQHNRARDO-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001346637528 965192292 /nfs/dbraw/zinc/19/22/92/965192292.db2.gz VWNRTPIBKSFBAL-JTQLQIEISA-N 1 1 258.318 1.458 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001346637528 965192298 /nfs/dbraw/zinc/19/22/98/965192298.db2.gz VWNRTPIBKSFBAL-JTQLQIEISA-N 1 1 258.318 1.458 20 5 CDBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054216 837757329 /nfs/dbraw/zinc/75/73/29/837757329.db2.gz YSLYYYOWNITHDJ-RYUDHWBXSA-N 1 1 271.361 1.280 20 5 CDBDMO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000832949745 837824018 /nfs/dbraw/zinc/82/40/18/837824018.db2.gz OBUJXHWPIXWZLP-GFCCVEGCSA-N 1 1 297.399 1.765 20 5 CDBDMO COCC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788437397 835877072 /nfs/dbraw/zinc/87/70/72/835877072.db2.gz RJQLBXKKNVVRCY-CYBMUJFWSA-N 1 1 280.324 1.597 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cccc2C1 ZINC000932527070 835918378 /nfs/dbraw/zinc/91/83/78/835918378.db2.gz VUYKWWRJHCQCCU-UHFFFAOYSA-N 1 1 275.312 1.417 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cccc2C1 ZINC000932527070 835918380 /nfs/dbraw/zinc/91/83/80/835918380.db2.gz VUYKWWRJHCQCCU-UHFFFAOYSA-N 1 1 275.312 1.417 20 5 CDBDMO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568133 836096258 /nfs/dbraw/zinc/09/62/58/836096258.db2.gz NQRZXNHAALHCGA-FDYHWXHSSA-N 1 1 297.399 1.524 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556327 836362053 /nfs/dbraw/zinc/36/20/53/836362053.db2.gz NYNSGIFEIAQMOQ-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556327 836362065 /nfs/dbraw/zinc/36/20/65/836362065.db2.gz NYNSGIFEIAQMOQ-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840190897 837001913 /nfs/dbraw/zinc/00/19/13/837001913.db2.gz YPNPCYZFSBEBGM-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO CC[C@H](CSC)[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000179783872 837128665 /nfs/dbraw/zinc/12/86/65/837128665.db2.gz FYFDBKZQBKCLNF-SECBINFHSA-N 1 1 258.347 1.822 20 5 CDBDMO CC[C@H](CSC)[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000179783872 837128678 /nfs/dbraw/zinc/12/86/78/837128678.db2.gz FYFDBKZQBKCLNF-SECBINFHSA-N 1 1 258.347 1.822 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000886274035 837149207 /nfs/dbraw/zinc/14/92/07/837149207.db2.gz LBKCYRXMGBFYGP-KGYLQXTDSA-N 1 1 277.324 1.583 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578561 837207602 /nfs/dbraw/zinc/20/76/02/837207602.db2.gz GKDHEIRPPOTSTM-CYBMUJFWSA-N 1 1 295.339 1.216 20 5 CDBDMO CCCC[N@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578561 837207615 /nfs/dbraw/zinc/20/76/15/837207615.db2.gz GKDHEIRPPOTSTM-CYBMUJFWSA-N 1 1 295.339 1.216 20 5 CDBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839535923 838898085 /nfs/dbraw/zinc/89/80/85/838898085.db2.gz KQDZKIVDNHBNLZ-FDYHWXHSSA-N 1 1 283.372 1.136 20 5 CDBDMO CO[C@@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886181418 839036721 /nfs/dbraw/zinc/03/67/21/839036721.db2.gz LFBHKYZUXXJOAN-ZDUSSCGKSA-N 1 1 265.313 1.991 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886181418 839036735 /nfs/dbraw/zinc/03/67/35/839036735.db2.gz LFBHKYZUXXJOAN-ZDUSSCGKSA-N 1 1 265.313 1.991 20 5 CDBDMO Cc1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513114 839247438 /nfs/dbraw/zinc/24/74/38/839247438.db2.gz KRBCUDIMASFGPW-NWDGAFQWSA-N 1 1 292.339 1.573 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000886194773 839928688 /nfs/dbraw/zinc/92/86/88/839928688.db2.gz ZEDPUZCNKZOWKD-AWEZNQCLSA-N 1 1 277.324 1.992 20 5 CDBDMO Cn1c(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810843901 839932323 /nfs/dbraw/zinc/93/23/23/839932323.db2.gz YNTKKOOZXJONBN-QWRGUYRKSA-N 1 1 293.323 1.717 20 5 CDBDMO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000828987779 839968841 /nfs/dbraw/zinc/96/88/41/839968841.db2.gz LAWGDOUCXROULC-XHDPSFHLSA-N 1 1 291.351 1.882 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(F)CC1 ZINC000796541170 840198722 /nfs/dbraw/zinc/19/87/22/840198722.db2.gz FTKAWRBHMAIIBR-UHFFFAOYSA-N 1 1 287.266 1.488 20 5 CDBDMO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000886179461 840286842 /nfs/dbraw/zinc/28/68/42/840286842.db2.gz WENAAWXBLZHPPY-RYUDHWBXSA-N 1 1 281.312 1.273 20 5 CDBDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886295618 840391703 /nfs/dbraw/zinc/39/17/03/840391703.db2.gz DBSWDDALAPEXMX-LBPRGKRZSA-N 1 1 279.340 1.973 20 5 CDBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886295618 840391715 /nfs/dbraw/zinc/39/17/15/840391715.db2.gz DBSWDDALAPEXMX-LBPRGKRZSA-N 1 1 279.340 1.973 20 5 CDBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928555712 840412236 /nfs/dbraw/zinc/41/22/36/840412236.db2.gz PHMOVCWIRPLSJD-SECBINFHSA-N 1 1 297.742 1.991 20 5 CDBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928555712 840412240 /nfs/dbraw/zinc/41/22/40/840412240.db2.gz PHMOVCWIRPLSJD-SECBINFHSA-N 1 1 297.742 1.991 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819323313 840516693 /nfs/dbraw/zinc/51/66/93/840516693.db2.gz ZJWUZPYRILPZLC-DOMZBBRYSA-N 1 1 295.383 1.947 20 5 CDBDMO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819323313 840516706 /nfs/dbraw/zinc/51/67/06/840516706.db2.gz ZJWUZPYRILPZLC-DOMZBBRYSA-N 1 1 295.383 1.947 20 5 CDBDMO CCN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000922640308 840531665 /nfs/dbraw/zinc/53/16/65/840531665.db2.gz SQBVUIRKAHCTCV-CYBMUJFWSA-N 1 1 295.314 1.834 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602171 840642798 /nfs/dbraw/zinc/64/27/98/840642798.db2.gz TZVIRABEUCJTRC-ICCXJUOJSA-N 1 1 266.297 1.083 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1-c1nc(C[NH3+])no1 ZINC000842651337 841316579 /nfs/dbraw/zinc/31/65/79/841316579.db2.gz YYUGNBULXRHBKZ-UHFFFAOYSA-N 1 1 263.257 1.170 20 5 CDBDMO Cc1nn(C[N@H+](C)CCCn2ccnc2)c(C)c1[N+](=O)[O-] ZINC000130591520 841448805 /nfs/dbraw/zinc/44/88/05/841448805.db2.gz PNFKWNAYSHJAFL-UHFFFAOYSA-N 1 1 292.343 1.584 20 5 CDBDMO Cc1nn(C[N@@H+](C)CCCn2ccnc2)c(C)c1[N+](=O)[O-] ZINC000130591520 841448816 /nfs/dbraw/zinc/44/88/16/841448816.db2.gz PNFKWNAYSHJAFL-UHFFFAOYSA-N 1 1 292.343 1.584 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000791053558 841702726 /nfs/dbraw/zinc/70/27/26/841702726.db2.gz UFFWBQXQIPBOAQ-CQSZACIVSA-N 1 1 264.325 1.944 20 5 CDBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000791053558 841702750 /nfs/dbraw/zinc/70/27/50/841702750.db2.gz UFFWBQXQIPBOAQ-CQSZACIVSA-N 1 1 264.325 1.944 20 5 CDBDMO O=[N+]([O-])CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000930360744 841833615 /nfs/dbraw/zinc/83/36/15/841833615.db2.gz PFDLDSCAWWYABD-UHFFFAOYSA-N 1 1 287.323 1.508 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000930360744 841833621 /nfs/dbraw/zinc/83/36/21/841833621.db2.gz PFDLDSCAWWYABD-UHFFFAOYSA-N 1 1 287.323 1.508 20 5 CDBDMO C[C@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933706020 841891298 /nfs/dbraw/zinc/89/12/98/841891298.db2.gz NZJOLEUGAOZNLM-SFDCQRBFSA-N 1 1 288.351 1.935 20 5 CDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879188849 842071027 /nfs/dbraw/zinc/07/10/27/842071027.db2.gz QSARVRTZAMJTDN-AWEZNQCLSA-N 1 1 290.323 1.792 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CCn3cc[nH+]c32)cc1 ZINC000931521033 842182767 /nfs/dbraw/zinc/18/27/67/842182767.db2.gz CLAKLHGWBZJHFK-GFCCVEGCSA-N 1 1 274.280 1.345 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000886086584 842333041 /nfs/dbraw/zinc/33/30/41/842333041.db2.gz KLGQLIXTQREXBJ-ZYHUDNBSSA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787202412 842776663 /nfs/dbraw/zinc/77/66/63/842776663.db2.gz KSDWNDHOSZGQLI-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787202412 842776690 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274.320 1.925 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC001306059176 956301804 /nfs/dbraw/zinc/30/18/04/956301804.db2.gz ZQLCWUXKUCPCRZ-LLVKDONJSA-N 1 1 292.339 1.464 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001331760445 957248254 /nfs/dbraw/zinc/24/82/54/957248254.db2.gz VXSGTHMUCUBDKK-STQMWFEESA-N 1 1 294.355 1.601 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)CCCO)c1[N+](=O)[O-] ZINC001335528611 959867090 /nfs/dbraw/zinc/86/70/90/959867090.db2.gz XFHSFMHGYQOBBL-UHFFFAOYSA-N 1 1 270.285 1.123 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CCCO)c1[N+](=O)[O-] ZINC001335528611 959867096 /nfs/dbraw/zinc/86/70/96/959867096.db2.gz XFHSFMHGYQOBBL-UHFFFAOYSA-N 1 1 270.285 1.123 20 5 CDBDMO CC[N@@H+](CCNc1cc(N)c([N+](=O)[O-])cn1)C(C)C ZINC001347968898 965770130 /nfs/dbraw/zinc/77/01/30/965770130.db2.gz AHOPTDMQZLXJAE-UHFFFAOYSA-N 1 1 267.333 1.714 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001351302546 966906358 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CDBDMO CC(C)Oc1nc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000215976826 342530995 /nfs/dbraw/zinc/53/09/95/342530995.db2.gz XOFWHEMXHUDBEZ-UHFFFAOYSA-N 1 1 280.328 1.529 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000041926618 342000651 /nfs/dbraw/zinc/00/06/51/342000651.db2.gz DWEXUIUGIYQLOL-UHFFFAOYSA-N 1 1 269.301 1.648 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661446 342581361 /nfs/dbraw/zinc/58/13/61/342581361.db2.gz PDOJGACJEAVADA-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062202 342614834 /nfs/dbraw/zinc/61/48/34/342614834.db2.gz XJBLVFGHHGSXHB-TZMCWYRMSA-N 1 1 294.355 1.274 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595405555 343050098 /nfs/dbraw/zinc/05/00/98/343050098.db2.gz YCIJUFCELBXYML-NXEZZACHSA-N 1 1 282.344 1.806 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427732 343057368 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Cc1ccnc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285395 362092361 /nfs/dbraw/zinc/09/23/61/362092361.db2.gz XDHGMJSJENVIKH-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285395 362092368 /nfs/dbraw/zinc/09/23/68/362092368.db2.gz XDHGMJSJENVIKH-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735565 343135268 /nfs/dbraw/zinc/13/52/68/343135268.db2.gz BBDSEAHDJKETDC-GFCCVEGCSA-N 1 1 296.323 1.321 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595764581 343145223 /nfs/dbraw/zinc/14/52/23/343145223.db2.gz BYFFGLZBLBCLQW-ZWNOBZJWSA-N 1 1 280.324 1.949 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000080375002 342352094 /nfs/dbraw/zinc/35/20/94/342352094.db2.gz CBYLOQOYONIYEJ-UHFFFAOYSA-N 1 1 294.336 1.981 20 5 CDBDMO Cc1cc(N[C@H]2CCC[N@@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000294989828 199286972 /nfs/dbraw/zinc/28/69/72/199286972.db2.gz QEZIAAMVNUPELI-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597700548 343603505 /nfs/dbraw/zinc/60/35/05/343603505.db2.gz NJFHJCATRYCEBS-PSASIEDQSA-N 1 1 295.343 1.045 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597859958 343648510 /nfs/dbraw/zinc/64/85/10/343648510.db2.gz IZLAMOCATHSMKL-VIFPVBQESA-N 1 1 295.343 1.168 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295061670 199325251 /nfs/dbraw/zinc/32/52/51/199325251.db2.gz GPNWBFUHDQNIRC-GFCCVEGCSA-N 1 1 296.323 1.664 20 5 CDBDMO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000264364043 365799003 /nfs/dbraw/zinc/79/90/03/365799003.db2.gz VOFDECWERPDPMP-QWHCGFSZSA-N 1 1 293.367 1.876 20 5 CDBDMO C[N@H+]1CCCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000599141799 343960362 /nfs/dbraw/zinc/96/03/62/343960362.db2.gz RLEGKSLXUMCFCD-JTQLQIEISA-N 1 1 280.328 1.839 20 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/nfs/dbraw/zinc/62/10/30/344621030.db2.gz LSJKGOQJNNKVMP-LBPRGKRZSA-N 1 1 295.387 1.516 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000602841999 344622228 /nfs/dbraw/zinc/62/22/28/344622228.db2.gz UWTRLYJZNMCYCE-GFCCVEGCSA-N 1 1 298.387 1.829 20 5 CDBDMO O=[N+]([O-])c1cccc(Cn2cc(C[NH+]3CCCC3)nn2)c1 ZINC000603165237 344725358 /nfs/dbraw/zinc/72/53/58/344725358.db2.gz WOEXUUOTIUMXNA-UHFFFAOYSA-N 1 1 287.323 1.830 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000604013628 344852359 /nfs/dbraw/zinc/85/23/59/344852359.db2.gz XROPOSOLXHFAIY-CHWSQXEVSA-N 1 1 291.351 1.515 20 5 CDBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)CO ZINC000293334188 362548292 /nfs/dbraw/zinc/54/82/92/362548292.db2.gz GTGDSCVKHUTMFN-JTQLQIEISA-N 1 1 296.323 1.664 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344041572 362539918 /nfs/dbraw/zinc/53/99/18/362539918.db2.gz WKQZWWAAEGXKHH-OBJOEFQTSA-N 1 1 292.335 1.676 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293533675 362572541 /nfs/dbraw/zinc/57/25/41/362572541.db2.gz XFZWFPRBLXEWOL-WCQYABFASA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215516 362555227 /nfs/dbraw/zinc/55/52/27/362555227.db2.gz OQEGWAHDUJMPKN-UHFFFAOYSA-N 1 1 292.270 1.669 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@H+]1C1CC1 ZINC000610653927 346336463 /nfs/dbraw/zinc/33/64/63/346336463.db2.gz CABVMWLVEXPWCG-IUCAKERBSA-N 1 1 278.312 1.278 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@H]21 ZINC000610808010 346443748 /nfs/dbraw/zinc/44/37/48/346443748.db2.gz OLGILFAOPVFTHQ-WCQYABFASA-N 1 1 276.340 1.910 20 5 CDBDMO C[N@@H+](CCOC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000610859995 346467613 /nfs/dbraw/zinc/46/76/13/346467613.db2.gz ZVHNVCZSUCQTHM-UHFFFAOYSA-N 1 1 270.333 1.538 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087392 346602112 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C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000615494133 348559558 /nfs/dbraw/zinc/55/95/58/348559558.db2.gz AWJLDUHTRUHULW-QMMMGPOBSA-N 1 1 268.292 1.456 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000615494133 348559561 /nfs/dbraw/zinc/55/95/61/348559561.db2.gz AWJLDUHTRUHULW-QMMMGPOBSA-N 1 1 268.292 1.456 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000615496085 348560789 /nfs/dbraw/zinc/56/07/89/348560789.db2.gz BNIJEJWMUAFFKF-NXEZZACHSA-N 1 1 292.339 1.223 20 5 CDBDMO COCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000066865617 349001348 /nfs/dbraw/zinc/00/13/48/349001348.db2.gz NFVPHNTZMYMVRG-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000066865617 349001353 /nfs/dbraw/zinc/00/13/53/349001353.db2.gz NFVPHNTZMYMVRG-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO CC[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386907 349024222 /nfs/dbraw/zinc/02/42/22/349024222.db2.gz FJBNCDCUSPNQBT-UHFFFAOYSA-N 1 1 254.286 1.288 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673732 186185522 /nfs/dbraw/zinc/18/55/22/186185522.db2.gz ZLBVCCCHNLSURS-JTQLQIEISA-N 1 1 266.301 1.122 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000123794101 187109365 /nfs/dbraw/zinc/10/93/65/187109365.db2.gz FRLVEVWCSVFKEL-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153745856 188100343 /nfs/dbraw/zinc/10/03/43/188100343.db2.gz PBOBUQHIEKOJOK-CYBMUJFWSA-N 1 1 295.339 1.216 20 5 CDBDMO CCCC[N@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153745856 188100344 /nfs/dbraw/zinc/10/03/44/188100344.db2.gz PBOBUQHIEKOJOK-CYBMUJFWSA-N 1 1 295.339 1.216 20 5 CDBDMO C[C@@H](CCC[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295164622 199381102 /nfs/dbraw/zinc/38/11/02/199381102.db2.gz FGUATEDWTDFDSO-QMMMGPOBSA-N 1 1 291.311 1.328 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](C)O 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20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000559258221 356425616 /nfs/dbraw/zinc/42/56/16/356425616.db2.gz QSOMKMGSBGMFDX-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273718027 192276719 /nfs/dbraw/zinc/27/67/19/192276719.db2.gz GJAQMRGXDVONRG-NSHDSACASA-N 1 1 279.344 1.775 20 5 CDBDMO Cc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000578372596 356556656 /nfs/dbraw/zinc/55/66/56/356556656.db2.gz RZFRHGURDDWGOI-UHFFFAOYSA-N 1 1 273.239 1.826 20 5 CDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]1 ZINC000360145192 356830747 /nfs/dbraw/zinc/83/07/47/356830747.db2.gz SZFKZLRTIJVGTH-UHFFFAOYSA-N 1 1 289.295 1.468 20 5 CDBDMO CC[NH2+]CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000566203424 357434825 /nfs/dbraw/zinc/43/48/25/357434825.db2.gz USBVTNRBRAOARJ-UHFFFAOYSA-N 1 1 291.311 1.201 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](C)CCN1C ZINC000096474972 357479117 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CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000353235800 375589901 /nfs/dbraw/zinc/58/99/01/375589901.db2.gz SAHFLBLJUASLAS-VHSXEESVSA-N 1 1 295.343 1.263 20 5 CDBDMO COc1ccc(C[N@@H+](C)CCn2cccn2)cc1[N+](=O)[O-] ZINC000171040853 376044899 /nfs/dbraw/zinc/04/48/99/376044899.db2.gz IFPXPCFNSNFYHH-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410570 376108843 /nfs/dbraw/zinc/10/88/43/376108843.db2.gz PBAOJGJSMKAELR-JTQLQIEISA-N 1 1 287.323 1.324 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671952 377844945 /nfs/dbraw/zinc/84/49/45/377844945.db2.gz HPXUCFDNXBFCGN-ZYHUDNBSSA-N 1 1 250.298 1.798 20 5 CDBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000266924946 378742049 /nfs/dbraw/zinc/74/20/49/378742049.db2.gz LNPCRUXOIQIFQE-LLVKDONJSA-N 1 1 291.351 1.839 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000134782799 390213674 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CC(C)c1n[nH]c(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000269447218 391092357 /nfs/dbraw/zinc/09/23/57/391092357.db2.gz QQUBXJCPOKKSAR-UHFFFAOYSA-N 1 1 295.343 1.265 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000266326216 391713976 /nfs/dbraw/zinc/71/39/76/391713976.db2.gz GEPXAZYZRAKUQV-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO COCCO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676125 130006369 /nfs/dbraw/zinc/00/63/69/130006369.db2.gz PKZZFWZXAFCEDA-HNNXBMFYSA-N 1 1 294.351 1.875 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190846954 130153496 /nfs/dbraw/zinc/15/34/96/130153496.db2.gz MUOXSACJUTVWCO-MFKMUULPSA-N 1 1 264.325 1.963 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000495228726 391907496 /nfs/dbraw/zinc/90/74/96/391907496.db2.gz LWLLVKLLQQIVJK-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000133454191 391930432 /nfs/dbraw/zinc/93/04/32/391930432.db2.gz SQIFWFXVQCGKIJ-RYUDHWBXSA-N 1 1 276.340 1.910 20 5 CDBDMO CO[C@H]1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488509187 392694361 /nfs/dbraw/zinc/69/43/61/392694361.db2.gz CPDZYPZFWKMZFM-KBPBESRZSA-N 1 1 280.324 1.749 20 5 CDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775388 392919052 /nfs/dbraw/zinc/91/90/52/392919052.db2.gz JZWUXJMVSNDRER-LLVKDONJSA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000525803870 392937689 /nfs/dbraw/zinc/93/76/89/392937689.db2.gz VZBIINFQZUBAKX-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269170722 132124638 /nfs/dbraw/zinc/12/46/38/132124638.db2.gz HJQJMOHSFJVPCV-NSHDSACASA-N 1 1 293.323 1.467 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699673 392942843 /nfs/dbraw/zinc/94/28/43/392942843.db2.gz BTYAEYMGOPOSDV-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(O)CC1 ZINC000430217196 393092932 /nfs/dbraw/zinc/09/29/32/393092932.db2.gz IZWQIZJZTXDFCQ-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC(C)[C@H]([NH3+])CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000430560011 393100796 /nfs/dbraw/zinc/10/07/96/393100796.db2.gz YFJASEPXVBGXFC-GFCCVEGCSA-N 1 1 269.349 1.097 20 5 CDBDMO CC(=O)NCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131421288 393037083 /nfs/dbraw/zinc/03/70/83/393037083.db2.gz NSXJCSXUQMBJCQ-UHFFFAOYSA-N 1 1 277.324 1.479 20 5 CDBDMO CC(=O)NCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131421288 393037086 /nfs/dbraw/zinc/03/70/86/393037086.db2.gz NSXJCSXUQMBJCQ-UHFFFAOYSA-N 1 1 277.324 1.479 20 5 CDBDMO CO[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000487954483 393355952 /nfs/dbraw/zinc/35/59/52/393355952.db2.gz FGPQSTLUWIGLBS-OKILXGFUSA-N 1 1 296.323 1.319 20 5 CDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751257 135112174 /nfs/dbraw/zinc/11/21/74/135112174.db2.gz DFRNXZNCDDDEEK-LBPRGKRZSA-N 1 1 293.367 1.876 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1(O)CCCCCC1 ZINC000187342635 140078492 /nfs/dbraw/zinc/07/84/92/140078492.db2.gz NNNAORYCEQEZIK-UHFFFAOYSA-N 1 1 296.371 1.808 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000229578374 140202812 /nfs/dbraw/zinc/20/28/12/140202812.db2.gz CWPIQSCKCZWOPY-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251438328 140308319 /nfs/dbraw/zinc/30/83/19/140308319.db2.gz CPPJAAHEHDYFTQ-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251438328 140308321 /nfs/dbraw/zinc/30/83/21/140308321.db2.gz CPPJAAHEHDYFTQ-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO CCc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000174004059 397608108 /nfs/dbraw/zinc/60/81/08/397608108.db2.gz DKBSUTRQSBIEMB-UHFFFAOYSA-N 1 1 291.351 1.935 20 5 CDBDMO CC(C)(C(=O)NCC[NH+]1CCC1)c1ccccc1[N+](=O)[O-] ZINC000343452264 152184062 /nfs/dbraw/zinc/18/40/62/152184062.db2.gz RSDVNWWSNYCMMW-UHFFFAOYSA-N 1 1 291.351 1.694 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343542655 152217096 /nfs/dbraw/zinc/21/70/96/152217096.db2.gz YQTOSXTVPMTYTH-SKDRFNHKSA-N 1 1 295.314 1.946 20 5 CDBDMO CC(C)[N@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350071160 154319859 /nfs/dbraw/zinc/31/98/59/154319859.db2.gz IHFDFUMMLAINPL-UHFFFAOYSA-N 1 1 281.360 1.207 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000354019634 156229917 /nfs/dbraw/zinc/22/99/17/156229917.db2.gz JNQJRYGRHWMHBE-VIFPVBQESA-N 1 1 267.285 1.354 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](C)C1 ZINC000362158606 159087822 /nfs/dbraw/zinc/08/78/22/159087822.db2.gz SODYEMYJFSKNDD-STQMWFEESA-N 1 1 296.371 1.928 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000284494177 196069881 /nfs/dbraw/zinc/06/98/81/196069881.db2.gz BWYPCQQZMVJLIR-OLZOCXBDSA-N 1 1 290.323 1.193 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000284494177 196069883 /nfs/dbraw/zinc/06/98/83/196069883.db2.gz BWYPCQQZMVJLIR-OLZOCXBDSA-N 1 1 290.323 1.193 20 5 CDBDMO C[C@@H](C(=O)NC1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285254157 196233984 /nfs/dbraw/zinc/23/39/84/196233984.db2.gz HIAPDTQKKQRBBZ-NSHDSACASA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285254157 196233986 /nfs/dbraw/zinc/23/39/86/196233986.db2.gz HIAPDTQKKQRBBZ-NSHDSACASA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000441384841 278561129 /nfs/dbraw/zinc/56/11/29/278561129.db2.gz QXKASIYAIHWGKL-PRHODGIISA-N 1 1 297.742 1.862 20 5 CDBDMO C[C@@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@H+]1C ZINC000447684585 279090153 /nfs/dbraw/zinc/09/01/53/279090153.db2.gz BTOPQCNJLSSIRE-KOLCDFICSA-N 1 1 289.339 1.788 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000040454707 279142459 /nfs/dbraw/zinc/14/24/59/279142459.db2.gz RJQBWJBGKUHNIB-SECBINFHSA-N 1 1 263.301 1.281 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C(=O)N(C)C ZINC000114458468 279339038 /nfs/dbraw/zinc/33/90/38/279339038.db2.gz OUXPFTQEPXPDCQ-UHFFFAOYSA-N 1 1 295.339 1.560 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000362664687 280399693 /nfs/dbraw/zinc/39/96/93/280399693.db2.gz CFFMHGHUSGCITQ-TXEJJXNPSA-N 1 1 276.340 1.604 20 5 CDBDMO Cc1cccc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302514443 281228085 /nfs/dbraw/zinc/22/80/85/281228085.db2.gz UUGGOPOBIXYZHW-QWHCGFSZSA-N 1 1 293.367 1.795 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C(C)C ZINC000194704997 281257829 /nfs/dbraw/zinc/25/78/29/281257829.db2.gz IDVDLSYXFGATBF-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000555241229 290210106 /nfs/dbraw/zinc/21/01/06/290210106.db2.gz JBEAJNNIMVCSTD-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000181309354 323233159 /nfs/dbraw/zinc/23/31/59/323233159.db2.gz CWENZLAJLBPOLZ-LLVKDONJSA-N 1 1 292.257 1.992 20 5 CDBDMO C[NH2+]Cc1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000051848565 522157098 /nfs/dbraw/zinc/15/70/98/522157098.db2.gz RCBPAATZBPVHSO-UHFFFAOYSA-N 1 1 264.241 1.373 20 5 CDBDMO CC(C)CCO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177373988 527769048 /nfs/dbraw/zinc/76/90/48/527769048.db2.gz HFKKVEKWZBLIHW-CYBMUJFWSA-N 1 1 296.371 1.928 20 5 CDBDMO CC[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000177139554 529371717 /nfs/dbraw/zinc/37/17/17/529371717.db2.gz CLOICUINCVKEAT-LBPRGKRZSA-N 1 1 251.286 1.338 20 5 CDBDMO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000420340708 536307108 /nfs/dbraw/zinc/30/71/08/536307108.db2.gz UBGGSGVCIMWAOZ-UHFFFAOYSA-N 1 1 292.339 1.345 20 5 CDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC(C)(C)C)C1 ZINC000950055602 614651208 /nfs/dbraw/zinc/65/12/08/614651208.db2.gz GDKWDLNJTQZEBY-CHWSQXEVSA-N 1 1 297.399 1.621 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1O ZINC000892242010 617573351 /nfs/dbraw/zinc/57/33/51/617573351.db2.gz NNMDJMRLVZPLKZ-SKDRFNHKSA-N 1 1 296.323 1.512 20 5 CDBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000892674491 617581049 /nfs/dbraw/zinc/58/10/49/617581049.db2.gz WBWBOKZSYOUOPH-DTWKUNHWSA-N 1 1 253.306 1.223 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933867303 617708729 /nfs/dbraw/zinc/70/87/29/617708729.db2.gz NEEDCPQXBROANK-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000893939183 618201414 /nfs/dbraw/zinc/20/14/14/618201414.db2.gz IHHGWIVJCFCMSI-MNOVXSKESA-N 1 1 287.323 1.383 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1Cl ZINC000841101289 618683149 /nfs/dbraw/zinc/68/31/49/618683149.db2.gz RLPNFHWEGAXNLP-SNVBAGLBSA-N 1 1 285.731 1.326 20 5 CDBDMO C[N@@H+](CCO)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901395186 624219676 /nfs/dbraw/zinc/21/96/76/624219676.db2.gz JDXIOQHSYFMGQZ-UHFFFAOYSA-N 1 1 277.280 1.674 20 5 CDBDMO C[NH+](C)[C@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055744 626605625 /nfs/dbraw/zinc/60/56/25/626605625.db2.gz RNXZQZQZDSZFOT-GFCCVEGCSA-N 1 1 255.293 1.295 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000905132143 626646582 /nfs/dbraw/zinc/64/65/82/626646582.db2.gz JWVVPTNKROXWDI-UHFFFAOYSA-N 1 1 283.303 1.029 20 5 CDBDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239344 631281163 /nfs/dbraw/zinc/28/11/63/631281163.db2.gz BCTHIIRKXGLWSD-MFKMUULPSA-N 1 1 292.339 1.659 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164629416 719153210 /nfs/dbraw/zinc/15/32/10/719153210.db2.gz ASMNMVPDCMYWHE-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000929929297 844289956 /nfs/dbraw/zinc/28/99/56/844289956.db2.gz HKKFYUOHVKTMTO-KBPBESRZSA-N 1 1 264.325 1.851 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712323030 844502832 /nfs/dbraw/zinc/50/28/32/844502832.db2.gz JDRJPIYXYRPEOZ-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000712323030 844502836 /nfs/dbraw/zinc/50/28/36/844502836.db2.gz JDRJPIYXYRPEOZ-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000886004183 844535354 /nfs/dbraw/zinc/53/53/54/844535354.db2.gz UWUYMOLAWQANLF-LLVKDONJSA-N 1 1 265.313 1.848 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840120783 843342887 /nfs/dbraw/zinc/34/28/87/843342887.db2.gz OOSLREFCJULGHN-QJPTWQEYSA-N 1 1 280.328 1.374 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008307 843868781 /nfs/dbraw/zinc/86/87/81/843868781.db2.gz WIRSYPYQWGCLSK-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008307 843868782 /nfs/dbraw/zinc/86/87/82/843868782.db2.gz WIRSYPYQWGCLSK-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931654289 843885925 /nfs/dbraw/zinc/88/59/25/843885925.db2.gz JTBJJYNDBORHRQ-LBPRGKRZSA-N 1 1 293.323 1.218 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619594 844658006 /nfs/dbraw/zinc/65/80/06/844658006.db2.gz WMYMCRGPKITDRD-CHWSQXEVSA-N 1 1 294.355 1.948 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482863 845013758 /nfs/dbraw/zinc/01/37/58/845013758.db2.gz IWHNHKXOHXCWMO-CMPLNLGQSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884482863 845013767 /nfs/dbraw/zinc/01/37/67/845013767.db2.gz IWHNHKXOHXCWMO-CMPLNLGQSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719068818 845031734 /nfs/dbraw/zinc/03/17/34/845031734.db2.gz VYJBKPMMAKMANM-GFCCVEGCSA-N 1 1 278.308 1.790 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)CC2CC2)cc1 ZINC000776578582 845350660 /nfs/dbraw/zinc/35/06/60/845350660.db2.gz GRNIERFCAUMJFB-AWEZNQCLSA-N 1 1 280.324 1.333 20 5 CDBDMO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058577 845466777 /nfs/dbraw/zinc/46/67/77/845466777.db2.gz MTXNFAJGNLIGFY-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000886838349 845626090 /nfs/dbraw/zinc/62/60/90/845626090.db2.gz VUEVQDGAJZCEOG-ZDUSSCGKSA-N 1 1 290.367 1.811 20 5 CDBDMO C[N@H+](C[C@@H]1CCCOC1)Cn1nccc1[N+](=O)[O-] ZINC000107672079 845822900 /nfs/dbraw/zinc/82/29/00/845822900.db2.gz VYZPAWWXKHFGIQ-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO C[N@@H+](C[C@@H]1CCCOC1)Cn1nccc1[N+](=O)[O-] ZINC000107672079 845822906 /nfs/dbraw/zinc/82/29/06/845822906.db2.gz VYZPAWWXKHFGIQ-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccon2)cc1 ZINC000134758673 845960479 /nfs/dbraw/zinc/96/04/79/845960479.db2.gz HCEFYXQBYAJLHH-GFCCVEGCSA-N 1 1 263.253 1.406 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789505340 846425039 /nfs/dbraw/zinc/42/50/39/846425039.db2.gz KUNKFKDVGMFFCK-GHMZBOCLSA-N 1 1 266.301 1.392 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000789505340 846425045 /nfs/dbraw/zinc/42/50/45/846425045.db2.gz KUNKFKDVGMFFCK-GHMZBOCLSA-N 1 1 266.301 1.392 20 5 CDBDMO CCOC1CC2(C1)CC[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000795719960 846525867 /nfs/dbraw/zinc/52/58/67/846525867.db2.gz FLIOYCZTWOBIQT-UHFFFAOYSA-N 1 1 280.328 1.640 20 5 CDBDMO CCOC1CC2(C1)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000795719960 846525871 /nfs/dbraw/zinc/52/58/71/846525871.db2.gz FLIOYCZTWOBIQT-UHFFFAOYSA-N 1 1 280.328 1.640 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892894089 846636643 /nfs/dbraw/zinc/63/66/43/846636643.db2.gz SZWUNHUSKRIQIG-NSHDSACASA-N 1 1 281.360 1.718 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000853389913 846881518 /nfs/dbraw/zinc/88/15/18/846881518.db2.gz DKNZBFPFUJITIG-JTQLQIEISA-N 1 1 292.339 1.590 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783741393 846967051 /nfs/dbraw/zinc/96/70/51/846967051.db2.gz LXJHHOURLODFBJ-OCCSQVGLSA-N 1 1 262.309 1.717 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2CO)cc1 ZINC000847014488 847410450 /nfs/dbraw/zinc/41/04/50/847410450.db2.gz JWYBFLDGUVLZMH-HUUCEWRRSA-N 1 1 294.351 1.865 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000118982892 847528385 /nfs/dbraw/zinc/52/83/85/847528385.db2.gz QLAVEFSBGCSIAU-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000118982892 847528389 /nfs/dbraw/zinc/52/83/89/847528389.db2.gz QLAVEFSBGCSIAU-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000859970054 847560952 /nfs/dbraw/zinc/56/09/52/847560952.db2.gz NQBAKJACJDUOOC-GDLCADMTSA-N 1 1 280.324 1.331 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812332098 847595946 /nfs/dbraw/zinc/59/59/46/847595946.db2.gz IRCLLDNQUFUJOF-KOLCDFICSA-N 1 1 295.364 1.680 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880297208 847743752 /nfs/dbraw/zinc/74/37/52/847743752.db2.gz KPTYUCVYHIDZMC-VIFPVBQESA-N 1 1 281.287 1.485 20 5 CDBDMO C[NH+]1CCC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940885 847747909 /nfs/dbraw/zinc/74/79/09/847747909.db2.gz IYBWVUVAUMJAEP-AWEZNQCLSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000879365299 847863540 /nfs/dbraw/zinc/86/35/40/847863540.db2.gz AUWHPMXYHXTEQL-KCPJHIHWSA-N 1 1 294.351 1.721 20 5 CDBDMO C[C@@H]1COCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593547 847936801 /nfs/dbraw/zinc/93/68/01/847936801.db2.gz LCGHGHKTAYZGFQ-SMDDNHRTSA-N 1 1 280.324 1.597 20 5 CDBDMO COC1CCC([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779861620 848010509 /nfs/dbraw/zinc/01/05/09/848010509.db2.gz XIBFIPWSACVFRL-UHFFFAOYSA-N 1 1 282.344 1.947 20 5 CDBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886213189 848022182 /nfs/dbraw/zinc/02/21/82/848022182.db2.gz NPXHOSCUHLDKQJ-SNVBAGLBSA-N 1 1 251.286 1.335 20 5 CDBDMO CC(=O)N(C)C1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227594 912321458 /nfs/dbraw/zinc/32/14/58/912321458.db2.gz REAURPHDSSYVNS-LLVKDONJSA-N 1 1 291.351 1.688 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1-n1cnc(C[NH3+])n1 ZINC001168754975 922646148 /nfs/dbraw/zinc/64/61/48/922646148.db2.gz WQBFLWREGXHOJS-UHFFFAOYSA-N 1 1 263.257 1.033 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006740 927610823 /nfs/dbraw/zinc/61/08/23/927610823.db2.gz JFWTZBWIPKLVRN-IJLUTSLNSA-N 1 1 254.330 1.733 20 5 CDBDMO CCC(CC)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001169006474 927612358 /nfs/dbraw/zinc/61/23/58/927612358.db2.gz XWUBGMQVAIJCEG-MNOVXSKESA-N 1 1 272.345 1.753 20 5 CDBDMO C[N@@H+](CC1CCOCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010033 927613492 /nfs/dbraw/zinc/61/34/92/927613492.db2.gz AJYFIYPOKDNIHM-CHWSQXEVSA-N 1 1 256.346 1.790 20 5 CDBDMO CC[N@@H+](CCCC(=O)OC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013366 927620354 /nfs/dbraw/zinc/62/03/54/927620354.db2.gz UJTCDPMGEDUEHY-NEPJUHHUSA-N 1 1 272.345 1.707 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC001169028372 927631865 /nfs/dbraw/zinc/63/18/65/927631865.db2.gz RWDAKZXGZCZNDM-DZGCQCFKSA-N 1 1 281.400 1.992 20 5 CDBDMO C[N@@H+](Cc1cnccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037452 927647227 /nfs/dbraw/zinc/64/72/27/927647227.db2.gz RXABYTJUFFMNAO-PWSUYJOCSA-N 1 1 250.302 1.354 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038445 927651277 /nfs/dbraw/zinc/65/12/77/927651277.db2.gz YWMYWSJRCYHORI-KOLCDFICSA-N 1 1 296.758 1.934 20 5 CDBDMO CCO[C@@H]1C[C@H]2CN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[N@H+]2C1 ZINC001169019207 927660174 /nfs/dbraw/zinc/66/01/74/927660174.db2.gz FPJFCUCAXAJRBY-ZQDZILKHSA-N 1 1 297.399 1.227 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001169026558 927665879 /nfs/dbraw/zinc/66/58/79/927665879.db2.gz MKKTZAVJVAWZNK-UPJWGTAASA-N 1 1 253.346 1.212 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026918 927667245 /nfs/dbraw/zinc/66/72/45/927667245.db2.gz OJKWTZALYLXKCV-XQQFMLRXSA-N 1 1 269.345 1.032 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000695904504 937270215 /nfs/dbraw/zinc/27/02/15/937270215.db2.gz KJTPAMBUNRLHGD-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000695904504 937270221 /nfs/dbraw/zinc/27/02/21/937270221.db2.gz KJTPAMBUNRLHGD-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000695904504 937270224 /nfs/dbraw/zinc/27/02/24/937270224.db2.gz KJTPAMBUNRLHGD-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000930679966 933429610 /nfs/dbraw/zinc/42/96/10/933429610.db2.gz TUNCOHUCDGCYMB-UHFFFAOYSA-N 1 1 276.336 1.827 20 5 CDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894915 937686437 /nfs/dbraw/zinc/68/64/37/937686437.db2.gz ZQCIQKVMNRRQCG-DTWKUNHWSA-N 1 1 295.343 1.093 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001157260585 938471099 /nfs/dbraw/zinc/47/10/99/938471099.db2.gz LETKSEGTNQGORK-WCBMZHEXSA-N 1 1 297.746 1.569 20 5 CDBDMO CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107605 938769364 /nfs/dbraw/zinc/76/93/64/938769364.db2.gz PBKLSJKQJKKGQU-ZIAGYGMSSA-N 1 1 295.383 1.590 20 5 CDBDMO CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107605 938769365 /nfs/dbraw/zinc/76/93/65/938769365.db2.gz PBKLSJKQJKKGQU-ZIAGYGMSSA-N 1 1 295.383 1.590 20 5 CDBDMO CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160107605 938769366 /nfs/dbraw/zinc/76/93/66/938769366.db2.gz PBKLSJKQJKKGQU-ZIAGYGMSSA-N 1 1 295.383 1.590 20 5 CDBDMO Cc1cc(O[C@@H]2C[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC001218233998 941047229 /nfs/dbraw/zinc/04/72/29/941047229.db2.gz BQHBACWGUUJVJU-SNVBAGLBSA-N 1 1 258.224 1.889 20 5 CDBDMO COc1cccc(COC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223810800 941700503 /nfs/dbraw/zinc/70/05/03/941700503.db2.gz HFKGJDQPQWFCFZ-GFCCVEGCSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cccc(COC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223810800 941700505 /nfs/dbraw/zinc/70/05/05/941700505.db2.gz HFKGJDQPQWFCFZ-GFCCVEGCSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cc(OCC[N@@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC001225440805 941859908 /nfs/dbraw/zinc/85/99/08/941859908.db2.gz HTQHAKXCNQDJFK-GFCCVEGCSA-N 1 1 296.323 1.703 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccnc1[N+](=O)[O-])C2 ZINC001225628790 941890255 /nfs/dbraw/zinc/89/02/55/941890255.db2.gz VQXIMWSGRJMWDL-URLYPYJESA-N 1 1 263.297 1.994 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225633521 941892315 /nfs/dbraw/zinc/89/23/15/941892315.db2.gz PVHWQUAZNAJCQR-NSHDSACASA-N 1 1 251.286 1.853 20 5 CDBDMO O=[N+]([O-])c1cccc(O)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226341343 941990300 /nfs/dbraw/zinc/99/03/00/941990300.db2.gz SKAPCBYDWNKCSP-VIFPVBQESA-N 1 1 275.264 1.891 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001226760604 942065278 /nfs/dbraw/zinc/06/52/78/942065278.db2.gz BSYGMJPFOZGLMZ-ZWKOPEQDSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001226760604 942065284 /nfs/dbraw/zinc/06/52/84/942065284.db2.gz BSYGMJPFOZGLMZ-ZWKOPEQDSA-N 1 1 291.307 1.481 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601646 942654826 /nfs/dbraw/zinc/65/48/26/942654826.db2.gz PHXDRHJTUOVAGC-VIFPVBQESA-N 1 1 279.320 1.945 20 5 CDBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001234049508 943728366 /nfs/dbraw/zinc/72/83/66/943728366.db2.gz YDVKZARGPSFAMN-JTQLQIEISA-N 1 1 280.280 1.464 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCNC(=O)CC1 ZINC001254550642 947523138 /nfs/dbraw/zinc/52/31/38/947523138.db2.gz NURILUCDAOPZPC-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCNC(=O)CC1 ZINC001254550642 947523148 /nfs/dbraw/zinc/52/31/48/947523148.db2.gz NURILUCDAOPZPC-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C(N)=O ZINC001254563546 947524503 /nfs/dbraw/zinc/52/45/03/947524503.db2.gz YGCWLXUEHATVQB-RISCZKNCSA-N 1 1 291.351 1.866 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C(N)=O ZINC001254563546 947524509 /nfs/dbraw/zinc/52/45/09/947524509.db2.gz YGCWLXUEHATVQB-RISCZKNCSA-N 1 1 291.351 1.866 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593153 947543914 /nfs/dbraw/zinc/54/39/14/947543914.db2.gz JMLMZPFUKTUSML-BFHYXJOUSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(N3CC(F)C3)C1)C2 ZINC001254600155 947548694 /nfs/dbraw/zinc/54/86/94/947548694.db2.gz QENJTTPJABITLW-CQSZACIVSA-N 1 1 291.326 1.400 20 5 CDBDMO CN(C)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600835 947549038 /nfs/dbraw/zinc/54/90/38/947549038.db2.gz VPGOJLJVNVAXJR-LSDHHAIUSA-N 1 1 275.352 1.698 20 5 CDBDMO CN(C)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600835 947549048 /nfs/dbraw/zinc/54/90/48/947549048.db2.gz VPGOJLJVNVAXJR-LSDHHAIUSA-N 1 1 275.352 1.698 20 5 CDBDMO CN1CC2(C1)CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607668 947551998 /nfs/dbraw/zinc/55/19/98/947551998.db2.gz LXJWKAAGFGHBNW-HNNXBMFYSA-N 1 1 287.363 1.700 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3nccn3CC1)C2 ZINC001254605503 947553906 /nfs/dbraw/zinc/55/39/06/947553906.db2.gz ANBVDEYWKRCQNR-HNNXBMFYSA-N 1 1 298.346 1.817 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246100222 947951649 /nfs/dbraw/zinc/95/16/49/947951649.db2.gz SIIOATUUEMRQLW-HONMWMINSA-N 1 1 281.331 1.815 20 5 CDBDMO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583299 948314816 /nfs/dbraw/zinc/31/48/16/948314816.db2.gz JIPIBINNPPKCSN-MGPQQGTHSA-N 1 1 269.389 1.883 20 5 CDBDMO C[C@]1(CN)CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583299 948314823 /nfs/dbraw/zinc/31/48/23/948314823.db2.gz JIPIBINNPPKCSN-MGPQQGTHSA-N 1 1 269.389 1.883 20 5 CDBDMO N[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603305 948338861 /nfs/dbraw/zinc/33/88/61/948338861.db2.gz YLJFOWHDSBKELK-IVZWLZJFSA-N 1 1 263.288 1.100 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](F)C[NH2+]2)n1 ZINC001247768134 948762496 /nfs/dbraw/zinc/76/24/96/948762496.db2.gz ZVIVURQMBBLNKQ-VDTYLAMSSA-N 1 1 297.221 1.551 20 5 CDBDMO CCc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001322270484 960162097 /nfs/dbraw/zinc/16/20/97/960162097.db2.gz XKOTWUWRQHERHX-UHFFFAOYSA-N 1 1 289.335 1.759 20 5 CDBDMO COc1ccc(-c2nnc(C[NH+](C)C)o2)cc1[N+](=O)[O-] ZINC001322983771 960390596 /nfs/dbraw/zinc/39/05/96/960390596.db2.gz PMTXVHLGANWIBQ-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001339267431 962285432 /nfs/dbraw/zinc/28/54/32/962285432.db2.gz WMSMYDCLDOQTAK-GFCCVEGCSA-N 1 1 295.314 1.948 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC001354578944 968783268 /nfs/dbraw/zinc/78/32/68/968783268.db2.gz FCPOCIJQHWGTNP-JTQLQIEISA-N 1 1 289.129 1.349 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000273976830 398136145 /nfs/dbraw/zinc/13/61/45/398136145.db2.gz PZYLEYFFJMPLTE-DTWKUNHWSA-N 1 1 263.301 1.422 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601399651 342559899 /nfs/dbraw/zinc/55/98/99/342559899.db2.gz RLWLVCOBAHRTAX-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601399651 342559900 /nfs/dbraw/zinc/55/99/00/342559900.db2.gz RLWLVCOBAHRTAX-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000608789714 342048015 /nfs/dbraw/zinc/04/80/15/342048015.db2.gz GUTZFQKOTDRUCO-UHFFFAOYSA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008626 187165750 /nfs/dbraw/zinc/16/57/50/187165750.db2.gz NQLATRPDZOIERG-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO CCC[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000047496460 342101459 /nfs/dbraw/zinc/10/14/59/342101459.db2.gz DWBVGYFROSTRQU-UHFFFAOYSA-N 1 1 268.313 1.678 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289957674 361918446 /nfs/dbraw/zinc/91/84/46/361918446.db2.gz WKVGRRQMEVBOBL-VIFPVBQESA-N 1 1 274.271 1.768 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593884667 342844656 /nfs/dbraw/zinc/84/46/56/342844656.db2.gz WFLFSHKNSFPDAM-UHFFFAOYSA-N 1 1 295.343 1.184 20 5 CDBDMO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609383235 342264431 /nfs/dbraw/zinc/26/44/31/342264431.db2.gz QLSNCGJLIVZQMT-JTQLQIEISA-N 1 1 280.328 1.005 20 5 CDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C\CO)c1 ZINC000594974968 342992688 /nfs/dbraw/zinc/99/26/88/342992688.db2.gz PBOGSAHDIAAHTO-UPHRSURJSA-N 1 1 288.250 1.834 20 5 CDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075021218 342306775 /nfs/dbraw/zinc/30/67/75/342306775.db2.gz LGINNPRIFUQOIZ-LOWVWBTDSA-N 1 1 282.344 1.415 20 5 CDBDMO CCCCC[N@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312423 343033461 /nfs/dbraw/zinc/03/34/61/343033461.db2.gz KOHGMAOFCNQFPS-UHFFFAOYSA-N 1 1 271.317 1.876 20 5 CDBDMO CCCCC[N@@H+](CCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595312423 343033464 /nfs/dbraw/zinc/03/34/64/343033464.db2.gz KOHGMAOFCNQFPS-UHFFFAOYSA-N 1 1 271.317 1.876 20 5 CDBDMO CC[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075534752 342311630 /nfs/dbraw/zinc/31/16/30/342311630.db2.gz LWMKUAPQQWWIEN-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595394177 343047115 /nfs/dbraw/zinc/04/71/15/343047115.db2.gz AERKFIVHJXLULD-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000595393531 343047192 /nfs/dbraw/zinc/04/71/92/343047192.db2.gz RGDPLDLGNFABPR-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427731 343057320 /nfs/dbraw/zinc/05/73/20/343057320.db2.gz BTUMNGFKWIWXHF-VHSXEESVSA-N 1 1 268.288 1.937 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343091 343043717 /nfs/dbraw/zinc/04/37/17/343043717.db2.gz WPQDBYDZWQEOHM-NSHDSACASA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343091 343043719 /nfs/dbraw/zinc/04/37/19/343043719.db2.gz WPQDBYDZWQEOHM-NSHDSACASA-N 1 1 254.261 1.955 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595595394 343113739 /nfs/dbraw/zinc/11/37/39/343113739.db2.gz GKVAOJHSOXLDHA-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595595394 343113741 /nfs/dbraw/zinc/11/37/41/343113741.db2.gz GKVAOJHSOXLDHA-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595595394 343113744 /nfs/dbraw/zinc/11/37/44/343113744.db2.gz GKVAOJHSOXLDHA-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000080678001 342358977 /nfs/dbraw/zinc/35/89/77/342358977.db2.gz XQIXUQFPJNVVAH-UHFFFAOYSA-N 1 1 268.321 1.111 20 5 CDBDMO Cc1cc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])s1 ZINC000596098192 343235489 /nfs/dbraw/zinc/23/54/89/343235489.db2.gz PSRAJMWYWIBFLT-UHFFFAOYSA-N 1 1 285.369 1.469 20 5 CDBDMO CC[N@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000596270276 343281608 /nfs/dbraw/zinc/28/16/08/343281608.db2.gz YEORKBLCKABMJF-SNVBAGLBSA-N 1 1 267.333 1.249 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@H](C)CO1 ZINC000596430335 343319336 /nfs/dbraw/zinc/31/93/36/343319336.db2.gz LSFZLPQOBUPXDI-GHMZBOCLSA-N 1 1 280.328 1.511 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@H](C)CO1 ZINC000596430335 343319337 /nfs/dbraw/zinc/31/93/37/343319337.db2.gz LSFZLPQOBUPXDI-GHMZBOCLSA-N 1 1 280.328 1.511 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596447837 343323973 /nfs/dbraw/zinc/32/39/73/343323973.db2.gz VPIZEFXSFRMQRJ-SECBINFHSA-N 1 1 280.328 1.526 20 5 CDBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453622180 252329476 /nfs/dbraw/zinc/32/94/76/252329476.db2.gz JHENWNDJSMVVIQ-WDEREUQCSA-N 1 1 295.364 1.899 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1C[C@@H](O)C1 ZINC000599673871 344114742 /nfs/dbraw/zinc/11/47/42/344114742.db2.gz VAVDMUHFWXHMGV-WVSHTKLVSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@]1(CO)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599624242 344097564 /nfs/dbraw/zinc/09/75/64/344097564.db2.gz SQJFUXHGYJBVAY-GASCZTMLSA-N 1 1 294.351 1.408 20 5 CDBDMO CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599985389 344159866 /nfs/dbraw/zinc/15/98/66/344159866.db2.gz DOZSIHAJLIABKB-UHFFFAOYSA-N 1 1 295.343 1.183 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964342 344297844 /nfs/dbraw/zinc/29/78/44/344297844.db2.gz NRLROKWCXMPECN-CYBMUJFWSA-N 1 1 290.323 1.284 20 5 CDBDMO Cc1ccc(CN2CC[N@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602714674 344554728 /nfs/dbraw/zinc/55/47/28/344554728.db2.gz IZKNHBIUUINQMN-CYBMUJFWSA-N 1 1 279.340 1.012 20 5 CDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780774 344596439 /nfs/dbraw/zinc/59/64/39/344596439.db2.gz RTIOFZZNQLDDEM-CHWSQXEVSA-N 1 1 296.371 1.725 20 5 CDBDMO COC(=O)[C@@]1(C)C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000602929255 344660421 /nfs/dbraw/zinc/66/04/21/344660421.db2.gz MRZCMDGSRVZKGQ-SDBXPKJASA-N 1 1 297.311 1.522 20 5 CDBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000602929255 344660422 /nfs/dbraw/zinc/66/04/22/344660422.db2.gz MRZCMDGSRVZKGQ-SDBXPKJASA-N 1 1 297.311 1.522 20 5 CDBDMO Cc1c(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907222 344644138 /nfs/dbraw/zinc/64/41/38/344644138.db2.gz LIWAEOXVWWBBSS-TZMCWYRMSA-N 1 1 280.324 1.221 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)COC ZINC000603430277 344803000 /nfs/dbraw/zinc/80/30/00/344803000.db2.gz ZJOSSFLKSPLDRP-NSHDSACASA-N 1 1 284.312 1.090 20 5 CDBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213901 362555288 /nfs/dbraw/zinc/55/52/88/362555288.db2.gz OLQQFOZVYXZLSI-AAEUAGOBSA-N 1 1 296.371 1.520 20 5 CDBDMO CC[C@]1(C)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240980 362558574 /nfs/dbraw/zinc/55/85/74/362558574.db2.gz RMIFFORLEAJDCN-CHWSQXEVSA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069698 362712421 /nfs/dbraw/zinc/71/24/21/362712421.db2.gz KEJFOQMZUVWNTA-GXSJLCMTSA-N 1 1 280.328 1.335 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087441 346602259 /nfs/dbraw/zinc/60/22/59/346602259.db2.gz HAEGRQDXXWCURG-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087441 346602264 /nfs/dbraw/zinc/60/22/64/346602264.db2.gz HAEGRQDXXWCURG-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060626306 348894832 /nfs/dbraw/zinc/89/48/32/348894832.db2.gz MWOSRWZWQXWSBV-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO Cc1cccc(NCCNc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC000074277699 349209212 /nfs/dbraw/zinc/20/92/12/349209212.db2.gz GUDLPKVYWJIISS-UHFFFAOYSA-N 1 1 276.300 1.556 20 5 CDBDMO COc1ccc(C[N@@H+](C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091499378 180173631 /nfs/dbraw/zinc/17/36/31/180173631.db2.gz DCUYYDTZPOTULN-UHFFFAOYSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000109849793 186277482 /nfs/dbraw/zinc/27/74/82/186277482.db2.gz HGCWXQDSEJZJPE-LLVKDONJSA-N 1 1 293.323 1.042 20 5 CDBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579817 188383685 /nfs/dbraw/zinc/38/36/85/188383685.db2.gz FWKBYPICWIHKAG-MLCYQJTMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579817 188383686 /nfs/dbraw/zinc/38/36/86/188383686.db2.gz FWKBYPICWIHKAG-MLCYQJTMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659665 192250786 /nfs/dbraw/zinc/25/07/86/192250786.db2.gz VVBZDHICHWPFSN-WDEREUQCSA-N 1 1 279.344 1.917 20 5 CDBDMO CCC[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812771 366294533 /nfs/dbraw/zinc/29/45/33/366294533.db2.gz SHMDXNXAUGXQDU-CYBMUJFWSA-N 1 1 268.313 1.333 20 5 CDBDMO 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CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(C(F)(F)F)CC2)n1 ZINC000270139392 359905923 /nfs/dbraw/zinc/90/59/23/359905923.db2.gz DATYGQAANHHYAW-UHFFFAOYSA-N 1 1 290.245 1.986 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(C(F)(F)F)CC2)n1 ZINC000270139392 359905927 /nfs/dbraw/zinc/90/59/27/359905927.db2.gz DATYGQAANHHYAW-UHFFFAOYSA-N 1 1 290.245 1.986 20 5 CDBDMO [NH3+]CC(F)(F)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000162683821 359914107 /nfs/dbraw/zinc/91/41/07/359914107.db2.gz VKDIWUXKMZHAQE-UHFFFAOYSA-N 1 1 277.256 1.310 20 5 CDBDMO Cc1c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000487309899 359945713 /nfs/dbraw/zinc/94/57/13/359945713.db2.gz PHFUNDKCPXMMNQ-GWCFXTLKSA-N 1 1 291.351 1.717 20 5 CDBDMO C[C@H](C(=O)NCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822742 360234682 /nfs/dbraw/zinc/23/46/82/360234682.db2.gz ZMEPVKHANJBJNU-NSHDSACASA-N 1 1 291.351 1.909 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531648 360326446 /nfs/dbraw/zinc/32/64/46/360326446.db2.gz UNIWJYZHSAKSQO-UHFFFAOYSA-N 1 1 267.285 1.579 20 5 CDBDMO CC(C)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531648 360326453 /nfs/dbraw/zinc/32/64/53/360326453.db2.gz UNIWJYZHSAKSQO-UHFFFAOYSA-N 1 1 267.285 1.579 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])ncn1C ZINC000408393343 360786856 /nfs/dbraw/zinc/78/68/56/360786856.db2.gz LNCGNOLXBDSHRR-MNOVXSKESA-N 1 1 279.344 1.391 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358399092 360995620 /nfs/dbraw/zinc/99/56/20/360995620.db2.gz UUWVKHPVGMMCKH-JTQLQIEISA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358399092 360995623 /nfs/dbraw/zinc/99/56/23/360995623.db2.gz UUWVKHPVGMMCKH-JTQLQIEISA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174868125 364586075 /nfs/dbraw/zinc/58/60/75/364586075.db2.gz ZBIWJGSJGKGXFB-NXEZZACHSA-N 1 1 270.358 1.617 20 5 CDBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174868104 364586236 /nfs/dbraw/zinc/58/62/36/364586236.db2.gz ZBIWJGSJGKGXFB-ZJUUUORDSA-N 1 1 270.358 1.617 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275796138 193130356 /nfs/dbraw/zinc/13/03/56/193130356.db2.gz HETNYGWNWHYDFJ-UHFFFAOYSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419861 366904047 /nfs/dbraw/zinc/90/40/47/366904047.db2.gz UOGNUUSMKIPOFF-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639748 367598606 /nfs/dbraw/zinc/59/86/06/367598606.db2.gz DTFUKAHUTALXCQ-OLZOCXBDSA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639748 367598609 /nfs/dbraw/zinc/59/86/09/367598609.db2.gz DTFUKAHUTALXCQ-OLZOCXBDSA-N 1 1 266.297 1.095 20 5 CDBDMO CC[NH+]1CCC(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000330626512 203055073 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CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000295599877 370512925 /nfs/dbraw/zinc/51/29/25/370512925.db2.gz CDVKQNIFKCLMDB-JTQLQIEISA-N 1 1 286.303 1.945 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000224047612 373365987 /nfs/dbraw/zinc/36/59/87/373365987.db2.gz JRUVKWFUEUOJDX-SNVBAGLBSA-N 1 1 278.312 1.001 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421736933 374327287 /nfs/dbraw/zinc/32/72/87/374327287.db2.gz GNEMMAQNXRTFKX-UHFFFAOYSA-N 1 1 291.351 1.989 20 5 CDBDMO CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340801 374697690 /nfs/dbraw/zinc/69/76/90/374697690.db2.gz VUKCWGFDSVDNPU-KBPBESRZSA-N 1 1 281.356 1.558 20 5 CDBDMO COCCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000299263490 374654160 /nfs/dbraw/zinc/65/41/60/374654160.db2.gz JACDLQZDRUVFPL-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO C[C@H]1C[N@@H+](CCCNc2ncccc2[N+](=O)[O-])CCCO1 ZINC000278209326 374835210 /nfs/dbraw/zinc/83/52/10/374835210.db2.gz RDFZTQTWZVWDEC-LBPRGKRZSA-N 1 1 294.355 1.903 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@@H]1CCCO1)CC2 ZINC000332118924 375006426 /nfs/dbraw/zinc/00/64/26/375006426.db2.gz DFHSBVFFYCIJAC-ZDUSSCGKSA-N 1 1 277.324 1.917 20 5 CDBDMO CC[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332224756 375016973 /nfs/dbraw/zinc/01/69/73/375016973.db2.gz LVDINNCMUGHZEM-UHFFFAOYSA-N 1 1 279.340 1.828 20 5 CDBDMO CC[N@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332224756 375016976 /nfs/dbraw/zinc/01/69/76/375016976.db2.gz LVDINNCMUGHZEM-UHFFFAOYSA-N 1 1 279.340 1.828 20 5 CDBDMO C[C@@H](CO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282923153 375107482 /nfs/dbraw/zinc/10/74/82/375107482.db2.gz YOJXTQRAJDGYKF-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282923153 375107491 /nfs/dbraw/zinc/10/74/91/375107491.db2.gz YOJXTQRAJDGYKF-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=CCC2)c1 ZINC000282140336 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CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC000304298396 375426601 /nfs/dbraw/zinc/42/66/01/375426601.db2.gz NZOOTXREBVIXDC-VIFPVBQESA-N 1 1 254.261 1.548 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162819113 375525256 /nfs/dbraw/zinc/52/52/56/375525256.db2.gz WDFTUWXHPPYSTH-YPMHNXCESA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836420 375529342 /nfs/dbraw/zinc/52/93/42/375529342.db2.gz FYFUVYQAAYWIFJ-QWRGUYRKSA-N 1 1 250.298 1.798 20 5 CDBDMO CO[C@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353199041 375585735 /nfs/dbraw/zinc/58/57/35/375585735.db2.gz BDDAUZPLDJYMEP-SECBINFHSA-N 1 1 281.312 1.160 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000353199041 375585742 /nfs/dbraw/zinc/58/57/42/375585742.db2.gz BDDAUZPLDJYMEP-SECBINFHSA-N 1 1 281.312 1.160 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(CCO)CCOCC1 ZINC000352995800 375561180 /nfs/dbraw/zinc/56/11/80/375561180.db2.gz COZXFJVKPFUSCN-UHFFFAOYSA-N 1 1 294.351 1.958 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000133581653 375802343 /nfs/dbraw/zinc/80/23/43/375802343.db2.gz DYGKSDNJVUKHRG-AAEUAGOBSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345166586 377404418 /nfs/dbraw/zinc/40/44/18/377404418.db2.gz SQUNEEYHRCNZNN-UWVGGRQHSA-N 1 1 293.327 1.016 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245959588 379368648 /nfs/dbraw/zinc/36/86/48/379368648.db2.gz UPDWYDZJAYOLCM-VXGBXAGGSA-N 1 1 279.340 1.734 20 5 CDBDMO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)NC ZINC000449779632 251016291 /nfs/dbraw/zinc/01/62/91/251016291.db2.gz UMTJJSQDYQIJSK-MRVPVSSYSA-N 1 1 257.315 1.271 20 5 CDBDMO CC[C@H](CSC)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000358746186 390205870 /nfs/dbraw/zinc/20/58/70/390205870.db2.gz QLDUROILXGHVQX-SECBINFHSA-N 1 1 272.374 1.902 20 5 CDBDMO CC[C@H](CSC)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000358746186 390205874 /nfs/dbraw/zinc/20/58/74/390205874.db2.gz QLDUROILXGHVQX-SECBINFHSA-N 1 1 272.374 1.902 20 5 CDBDMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909445 390465144 /nfs/dbraw/zinc/46/51/44/390465144.db2.gz ZBQWCLFQETZTEB-JTQLQIEISA-N 1 1 264.285 1.420 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951949 390582989 /nfs/dbraw/zinc/58/29/89/390582989.db2.gz GWMRQCZIPFBSEG-SECBINFHSA-N 1 1 270.358 1.970 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000451424967 390618883 /nfs/dbraw/zinc/61/88/83/390618883.db2.gz SYYAZAAFDRUDRI-UPJWGTAASA-N 1 1 294.355 1.417 20 5 CDBDMO CC[C@H](CO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000451157469 390602377 /nfs/dbraw/zinc/60/23/77/390602377.db2.gz VVAJMSFTVYVEIO-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000451157469 390602381 /nfs/dbraw/zinc/60/23/81/390602381.db2.gz 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/nfs/dbraw/zinc/36/69/35/393366935.db2.gz RGNSBQLJWHEMQR-LBPRGKRZSA-N 1 1 294.355 1.273 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[C@H]1C ZINC000487981019 393378389 /nfs/dbraw/zinc/37/83/89/393378389.db2.gz MRPSUOAQUSEDKH-OLZOCXBDSA-N 1 1 296.371 1.928 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185587116 140043688 /nfs/dbraw/zinc/04/36/88/140043688.db2.gz CHYWFAMWGGLKNO-KGYLQXTDSA-N 1 1 282.344 1.273 20 5 CDBDMO Cc1ccc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000302521270 292134598 /nfs/dbraw/zinc/13/45/98/292134598.db2.gz ISOLQGVRJQGVGI-UHFFFAOYSA-N 1 1 293.367 1.796 20 5 CDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240485 148030872 /nfs/dbraw/zinc/03/08/72/148030872.db2.gz XQDSIUAUDVHZIQ-VXGBXAGGSA-N 1 1 282.344 1.417 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000345997503 153020448 /nfs/dbraw/zinc/02/04/48/153020448.db2.gz VEODDGJTXOAQPY-GHMZBOCLSA-N 1 1 294.355 1.488 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000359059625 158114681 /nfs/dbraw/zinc/11/46/81/158114681.db2.gz HCOCCCWMZOXAJS-SNVBAGLBSA-N 1 1 292.339 1.670 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000361955650 159023985 /nfs/dbraw/zinc/02/39/85/159023985.db2.gz UGWSRDWOFAAHHR-ZDUSSCGKSA-N 1 1 294.355 1.540 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362446623 159150820 /nfs/dbraw/zinc/15/08/20/159150820.db2.gz IVDNAZICKNRTNR-GHMZBOCLSA-N 1 1 280.328 1.329 20 5 CDBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)CC)c1[N+](=O)[O-] ZINC000077935909 177311716 /nfs/dbraw/zinc/31/17/16/177311716.db2.gz OSEGQLGCYADCDQ-UHFFFAOYSA-N 1 1 296.327 1.530 20 5 CDBDMO Cc1ccnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835327 177396034 /nfs/dbraw/zinc/39/60/34/177396034.db2.gz ZELXOTZYJFOEAR-NEPJUHHUSA-N 1 1 292.339 1.573 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000045428113 423789362 /nfs/dbraw/zinc/78/93/62/423789362.db2.gz RJEVCULIBBHDHA-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000273976836 274395178 /nfs/dbraw/zinc/39/51/78/274395178.db2.gz PZYLEYFFJMPLTE-RKDXNWHRSA-N 1 1 263.301 1.422 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000269980718 275039632 /nfs/dbraw/zinc/03/96/32/275039632.db2.gz QXOZOWVJASIYOU-AWEZNQCLSA-N 1 1 277.324 1.506 20 5 CDBDMO CC[N@@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263694981 276125619 /nfs/dbraw/zinc/12/56/19/276125619.db2.gz HQFWWGRYWFHFGO-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000276234758 278394689 /nfs/dbraw/zinc/39/46/89/278394689.db2.gz TTYJSHPLLRBXFW-NXEZZACHSA-N 1 1 286.303 1.298 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000276234758 278394691 /nfs/dbraw/zinc/39/46/91/278394691.db2.gz TTYJSHPLLRBXFW-NXEZZACHSA-N 1 1 286.303 1.298 20 5 CDBDMO CC(C)CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000083246915 279247610 /nfs/dbraw/zinc/24/76/10/279247610.db2.gz FOXHBEBDICTVEO-CQSZACIVSA-N 1 1 296.371 1.928 20 5 CDBDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553307 279375471 /nfs/dbraw/zinc/37/54/71/279375471.db2.gz DCSWTTLJUVNIHY-MLCYQJTMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553307 279375473 /nfs/dbraw/zinc/37/54/73/279375473.db2.gz DCSWTTLJUVNIHY-MLCYQJTMSA-N 1 1 270.354 1.794 20 5 CDBDMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000122315979 280324543 /nfs/dbraw/zinc/32/45/43/280324543.db2.gz LFHLDKKKZWBZMG-UHFFFAOYSA-N 1 1 292.339 1.263 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248889874 280391313 /nfs/dbraw/zinc/39/13/13/280391313.db2.gz FPVMGGDKKQDSJX-GHMZBOCLSA-N 1 1 298.339 1.167 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000558032957 290378654 /nfs/dbraw/zinc/37/86/54/290378654.db2.gz LFNWBBCNFFCLGU-CQSZACIVSA-N 1 1 292.339 1.101 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)n1 ZINC000574914382 295076280 /nfs/dbraw/zinc/07/62/80/295076280.db2.gz MKNJMAHHTPXZHW-OLZOCXBDSA-N 1 1 294.355 1.682 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000577652295 317378648 /nfs/dbraw/zinc/37/86/48/317378648.db2.gz HCVLIUJPSCTRRS-ZJUUUORDSA-N 1 1 281.360 1.648 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000577652291 317378676 /nfs/dbraw/zinc/37/86/76/317378676.db2.gz HCVLIUJPSCTRRS-NXEZZACHSA-N 1 1 281.360 1.648 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OCc1noc(C[NH3+])n1 ZINC000383041089 323659039 /nfs/dbraw/zinc/65/90/39/323659039.db2.gz AWKZWFLBQIDGJB-UHFFFAOYSA-N 1 1 280.240 1.024 20 5 CDBDMO CCOCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182382109 519904284 /nfs/dbraw/zinc/90/42/84/519904284.db2.gz IGKBPGMDTNNYPW-LBPRGKRZSA-N 1 1 298.339 1.303 20 5 CDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184589941 521106989 /nfs/dbraw/zinc/10/69/89/521106989.db2.gz KCMOSATXFBXNQJ-UHFFFAOYSA-N 1 1 296.327 1.031 20 5 CDBDMO COc1cc(C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])cc1F ZINC000184244715 522368205 /nfs/dbraw/zinc/36/82/05/522368205.db2.gz KVNNHEARDMSKFG-UHFFFAOYSA-N 1 1 298.314 1.947 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422704 523501721 /nfs/dbraw/zinc/50/17/21/523501721.db2.gz RDUJXKJOYDQLJT-NSHDSACASA-N 1 1 296.323 1.715 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925101 524822719 /nfs/dbraw/zinc/82/27/19/524822719.db2.gz IGVHSGUFTWMDEO-TVQRCGJNSA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925101 524822728 /nfs/dbraw/zinc/82/27/28/524822728.db2.gz IGVHSGUFTWMDEO-TVQRCGJNSA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826343 524958006 /nfs/dbraw/zinc/95/80/06/524958006.db2.gz KXYDZGSUYFLPRT-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366537992 527348854 /nfs/dbraw/zinc/34/88/54/527348854.db2.gz VDHMVDOOHMUKMP-OAHLLOKOSA-N 1 1 291.351 1.501 20 5 CDBDMO CC(C)[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000177034325 528909098 /nfs/dbraw/zinc/90/90/98/528909098.db2.gz HZPLNHFTPBAZTA-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO CC(C)[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000177034325 528909102 /nfs/dbraw/zinc/90/91/02/528909102.db2.gz HZPLNHFTPBAZTA-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO CCc1nn(C)c(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000220004748 536181139 /nfs/dbraw/zinc/18/11/39/536181139.db2.gz YNQXHYYDZRNHAG-UHFFFAOYSA-N 1 1 299.400 1.351 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000744347727 574445947 /nfs/dbraw/zinc/44/59/47/574445947.db2.gz CHLAKWBSZJPFLJ-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000771860496 575629732 /nfs/dbraw/zinc/62/97/32/575629732.db2.gz YXYZZLOFXHKJBL-UHFFFAOYSA-N 1 1 289.291 1.886 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552833 576492971 /nfs/dbraw/zinc/49/29/71/576492971.db2.gz ROXFVZSOVQEDHD-VIFPVBQESA-N 1 1 251.290 1.281 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@H](C)C1 ZINC000761078522 576544285 /nfs/dbraw/zinc/54/42/85/576544285.db2.gz XCMCSMQTSXFAFX-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742196969 576586558 /nfs/dbraw/zinc/58/65/58/576586558.db2.gz OJOKLLKTWZWHIP-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742196969 576586559 /nfs/dbraw/zinc/58/65/59/576586559.db2.gz OJOKLLKTWZWHIP-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197790 576586636 /nfs/dbraw/zinc/58/66/36/576586636.db2.gz ACAHMPBCZKMITH-JTQLQIEISA-N 1 1 263.297 1.371 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197790 576586637 /nfs/dbraw/zinc/58/66/37/576586637.db2.gz ACAHMPBCZKMITH-JTQLQIEISA-N 1 1 263.297 1.371 20 5 CDBDMO CC[N@@H+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749942881 576969066 /nfs/dbraw/zinc/96/90/66/576969066.db2.gz CYTOBJIBPZFGDP-UHFFFAOYSA-N 1 1 293.327 1.574 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930868809 617552672 /nfs/dbraw/zinc/55/26/72/617552672.db2.gz XJRPUGXUNSPXKU-MNOVXSKESA-N 1 1 287.360 1.641 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000930868809 617552675 /nfs/dbraw/zinc/55/26/75/617552675.db2.gz XJRPUGXUNSPXKU-MNOVXSKESA-N 1 1 287.360 1.641 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1O ZINC000892242006 617573152 /nfs/dbraw/zinc/57/31/52/617573152.db2.gz NNMDJMRLVZPLKZ-CABZTGNLSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000891871155 617697098 /nfs/dbraw/zinc/69/70/98/617697098.db2.gz UYZRFNNGJUKYKO-SECBINFHSA-N 1 1 282.296 1.123 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893710445 617912721 /nfs/dbraw/zinc/91/27/21/617912721.db2.gz GHAPKENWEJMJRD-ONGXEEELSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893710445 617912729 /nfs/dbraw/zinc/91/27/29/617912729.db2.gz GHAPKENWEJMJRD-ONGXEEELSA-N 1 1 296.323 1.512 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893893611 618165102 /nfs/dbraw/zinc/16/51/02/618165102.db2.gz BJAIDXWKBBHFKT-JTQLQIEISA-N 1 1 269.349 1.861 20 5 CDBDMO Cc1cnc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941784 618204904 /nfs/dbraw/zinc/20/49/04/618204904.db2.gz WJLWHXJKOVEHGG-PWSUYJOCSA-N 1 1 262.313 1.439 20 5 CDBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928566835 619403756 /nfs/dbraw/zinc/40/37/56/619403756.db2.gz FHDISENZZHSZSQ-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928566835 619403760 /nfs/dbraw/zinc/40/37/60/619403760.db2.gz FHDISENZZHSZSQ-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000895245343 619487121 /nfs/dbraw/zinc/48/71/21/619487121.db2.gz FTPRLVFXACJEAC-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895245343 619487129 /nfs/dbraw/zinc/48/71/29/619487129.db2.gz FTPRLVFXACJEAC-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000895245343 619487132 /nfs/dbraw/zinc/48/71/32/619487132.db2.gz FTPRLVFXACJEAC-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000902828227 625450972 /nfs/dbraw/zinc/45/09/72/625450972.db2.gz ZXLSVKFHJLMVCL-WDEREUQCSA-N 1 1 292.339 1.242 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000899873186 622503377 /nfs/dbraw/zinc/50/33/77/622503377.db2.gz JXYBEEOIQFVZGV-NSHDSACASA-N 1 1 254.261 1.906 20 5 CDBDMO C[C@H]1CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971442 627061227 /nfs/dbraw/zinc/06/12/27/627061227.db2.gz BKIQQPBIZSJTCQ-CMPLNLGQSA-N 1 1 266.297 1.429 20 5 CDBDMO CC(C)(CCC(=O)NCC[N@H+]1CCCC1(C)C)[N+](=O)[O-] ZINC000837175013 631788301 /nfs/dbraw/zinc/78/83/01/631788301.db2.gz MCKOFRCRAKYOPE-UHFFFAOYSA-N 1 1 285.388 1.813 20 5 CDBDMO COc1ccc(C[C@H](C)[NH2+]C2(CN)CC2)c([N+](=O)[O-])c1 ZINC001170327478 1162337540 /nfs/dbraw/zinc/33/75/40/1162337540.db2.gz SBYVBUVRBNDSCV-JTQLQIEISA-N 1 1 279.340 1.615 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170334540 1162338090 /nfs/dbraw/zinc/33/80/90/1162338090.db2.gz GOZPWXKGEVUOKY-AAEUAGOBSA-N 1 1 294.351 1.991 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329770 1162338470 /nfs/dbraw/zinc/33/84/70/1162338470.db2.gz UCAOFXHAQCPGSH-NQBHXWOUSA-N 1 1 294.351 1.990 20 5 CDBDMO C[C@H]([NH2+][C@@H](C)[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576252231 1171372901 /nfs/dbraw/zinc/37/29/01/1171372901.db2.gz QHPSWQDZMXXWPP-COPLHBTASA-N 1 1 279.340 1.622 20 5 CDBDMO CC(C)C[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603287875 1175533038 /nfs/dbraw/zinc/53/30/38/1175533038.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 1 1 290.327 1.863 20 5 CDBDMO C[N@H+](CCNC(=O)C1(C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001753050161 1185018817 /nfs/dbraw/zinc/01/88/17/1185018817.db2.gz GEYJUBOXXKADJM-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO C[N@@H+](CCNC(=O)C1(C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001753050161 1185018823 /nfs/dbraw/zinc/01/88/23/1185018823.db2.gz GEYJUBOXXKADJM-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO O=C(NCC1([NH2+]CC2CCCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001754980598 1185778437 /nfs/dbraw/zinc/77/84/37/1185778437.db2.gz JNOWPSGHYUYPTF-CHWSQXEVSA-N 1 1 295.383 1.470 20 5 CDBDMO CCOc1cc(NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884824594 697878365 /nfs/dbraw/zinc/87/83/65/697878365.db2.gz CYJCJCCUDYVSFP-UHFFFAOYSA-N 1 1 283.328 1.330 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000787204941 698065475 /nfs/dbraw/zinc/06/54/75/698065475.db2.gz GOGQGUKKFOJYNP-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1C ZINC000787204941 698065480 /nfs/dbraw/zinc/06/54/80/698065480.db2.gz GOGQGUKKFOJYNP-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000840120765 698078079 /nfs/dbraw/zinc/07/80/79/698078079.db2.gz OFEBYNABHPCFJG-BZPMIXESSA-N 1 1 294.355 1.683 20 5 CDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000840426480 698323504 /nfs/dbraw/zinc/32/35/04/698323504.db2.gz PHKXDIHLTJVUBB-CHWSQXEVSA-N 1 1 297.399 1.765 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667263 698365917 /nfs/dbraw/zinc/36/59/17/698365917.db2.gz HEFCRHHCAOHTAP-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@@H](C)N(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667263 698365920 /nfs/dbraw/zinc/36/59/20/698365920.db2.gz HEFCRHHCAOHTAP-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO Cc1nn(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000840087086 698485167 /nfs/dbraw/zinc/48/51/67/698485167.db2.gz PWRXHEBVAIDDRP-CQSZACIVSA-N 1 1 293.371 1.475 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CCOCC2)CC1 ZINC000789530961 698515316 /nfs/dbraw/zinc/51/53/16/698515316.db2.gz PYHNZODUQOBJNA-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO COc1cc(C(=O)OCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000861387122 698823998 /nfs/dbraw/zinc/82/39/98/698823998.db2.gz VUIIXUMMSLCBBD-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000827877576 698860086 /nfs/dbraw/zinc/86/00/86/698860086.db2.gz PTULLRVXCJEXKR-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO Cc1ccc(C[N@H+]2CCCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000827877576 698860087 /nfs/dbraw/zinc/86/00/87/698860087.db2.gz PTULLRVXCJEXKR-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO C[N@H+]1CC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000882700103 704890943 /nfs/dbraw/zinc/89/09/43/704890943.db2.gz SKZABUGIWZGHRH-UWVGGRQHSA-N 1 1 280.303 1.659 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776578473 704925334 /nfs/dbraw/zinc/92/53/34/704925334.db2.gz GADQIFWJBONPIH-SWLSCSKDSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000776596517 705169784 /nfs/dbraw/zinc/16/97/84/705169784.db2.gz GHRNTYQIKPFWBW-HUUCEWRRSA-N 1 1 292.335 1.739 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000776596517 705169788 /nfs/dbraw/zinc/16/97/88/705169788.db2.gz GHRNTYQIKPFWBW-HUUCEWRRSA-N 1 1 292.335 1.739 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164637827 719168090 /nfs/dbraw/zinc/16/80/90/719168090.db2.gz OYWLSGNWFOIWMK-YUMQZZPRSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164637827 719168097 /nfs/dbraw/zinc/16/80/97/719168097.db2.gz OYWLSGNWFOIWMK-YUMQZZPRSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835212431 848121233 /nfs/dbraw/zinc/12/12/33/848121233.db2.gz LICDSVUTDOOZDG-JTQLQIEISA-N 1 1 283.328 1.959 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840268662 848130418 /nfs/dbraw/zinc/13/04/18/848130418.db2.gz VNXLGFWDCRNKLT-UPJWGTAASA-N 1 1 283.372 1.278 20 5 CDBDMO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000886341679 848151128 /nfs/dbraw/zinc/15/11/28/848151128.db2.gz YOLVCONWVHMTOS-TXEJJXNPSA-N 1 1 287.319 1.436 20 5 CDBDMO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000886341679 848151134 /nfs/dbraw/zinc/15/11/34/848151134.db2.gz YOLVCONWVHMTOS-TXEJJXNPSA-N 1 1 287.319 1.436 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000785517242 848165048 /nfs/dbraw/zinc/16/50/48/848165048.db2.gz JBKXWJYFZVVUKV-LERXQTSPSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000930638938 848198404 /nfs/dbraw/zinc/19/84/04/848198404.db2.gz NAWHOFPUFSUVMM-NEPJUHHUSA-N 1 1 254.330 1.544 20 5 CDBDMO COc1ccc(NC(=O)C[N@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887138584 848838473 /nfs/dbraw/zinc/83/84/73/848838473.db2.gz CEZFBTGXVOEZNT-UHFFFAOYSA-N 1 1 299.302 1.833 20 5 CDBDMO COc1ccc(NC(=O)C[N@@H+](C)CCCF)c([N+](=O)[O-])c1 ZINC000887138584 848838474 /nfs/dbraw/zinc/83/84/74/848838474.db2.gz CEZFBTGXVOEZNT-UHFFFAOYSA-N 1 1 299.302 1.833 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176198547 848856052 /nfs/dbraw/zinc/85/60/52/848856052.db2.gz BOZZSSQUIXYSJC-PHIMTYICSA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccon2)c1 ZINC000819129064 848930811 /nfs/dbraw/zinc/93/08/11/848930811.db2.gz AAIRXDVJJCUXPE-GFCCVEGCSA-N 1 1 293.279 1.112 20 5 CDBDMO C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000839726698 849031439 /nfs/dbraw/zinc/03/14/39/849031439.db2.gz RKHXWFSNIYUXCG-QJPTWQEYSA-N 1 1 269.345 1.032 20 5 CDBDMO C[N@H+](CC1=CCCOC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852519337 849035601 /nfs/dbraw/zinc/03/56/01/849035601.db2.gz ZDKLIVUOQOWDDO-OAHLLOKOSA-N 1 1 292.335 1.907 20 5 CDBDMO Cc1nn(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000872714398 849459596 /nfs/dbraw/zinc/45/95/96/849459596.db2.gz YQMGTMWEAOZWPF-TXEJJXNPSA-N 1 1 262.313 1.955 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000852093330 849627785 /nfs/dbraw/zinc/62/77/85/849627785.db2.gz IDNYLKVQLIGJLI-SNVBAGLBSA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000852093330 849627788 /nfs/dbraw/zinc/62/77/88/849627788.db2.gz IDNYLKVQLIGJLI-SNVBAGLBSA-N 1 1 269.301 1.486 20 5 CDBDMO CCCCC[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886008404 849800094 /nfs/dbraw/zinc/80/00/94/849800094.db2.gz LWZCGVNGZDMWRS-UHFFFAOYSA-N 1 1 267.329 1.974 20 5 CDBDMO CCCCC[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886008404 849800097 /nfs/dbraw/zinc/80/00/97/849800097.db2.gz LWZCGVNGZDMWRS-UHFFFAOYSA-N 1 1 267.329 1.974 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(F)(F)C[NH3+] ZINC000876809043 849974757 /nfs/dbraw/zinc/97/47/57/849974757.db2.gz QANBJZJXJFTDHA-UHFFFAOYSA-N 1 1 287.266 1.535 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602172 850237608 /nfs/dbraw/zinc/23/76/08/850237608.db2.gz TZVIRABEUCJTRC-JIMOISOXSA-N 1 1 266.297 1.083 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)N(C)CC1 ZINC001173228640 912321831 /nfs/dbraw/zinc/32/18/31/912321831.db2.gz YJZDHRJICFWGHY-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncon1 ZINC001173210381 912332484 /nfs/dbraw/zinc/33/24/84/912332484.db2.gz KCQGVZHXRNIPSS-VIFPVBQESA-N 1 1 262.269 1.699 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001167362465 895437586 /nfs/dbraw/zinc/43/75/86/895437586.db2.gz WIUPHLWQLRGTLZ-UHFFFAOYSA-N 1 1 295.302 1.872 20 5 CDBDMO [NH3+]Cc1ncn(-c2ncnc3cc4ccccc4cc32)n1 ZINC001168750403 922105482 /nfs/dbraw/zinc/10/54/82/922105482.db2.gz MZLSILPEYZDYLX-UHFFFAOYSA-N 1 1 276.303 1.822 20 5 CDBDMO C[NH+](C)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006834 927611037 /nfs/dbraw/zinc/61/10/37/927611037.db2.gz JQUZBXGEPYJUQT-AAEUAGOBSA-N 1 1 255.362 1.458 20 5 CDBDMO CN(C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006834 927611043 /nfs/dbraw/zinc/61/10/43/927611043.db2.gz JQUZBXGEPYJUQT-AAEUAGOBSA-N 1 1 255.362 1.458 20 5 CDBDMO C[N@@H+](Cc1ncccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008153 927614302 /nfs/dbraw/zinc/61/43/02/927614302.db2.gz RKJOHHCILYGVNQ-WDEREUQCSA-N 1 1 250.302 1.354 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001169010720 927616840 /nfs/dbraw/zinc/61/68/40/927616840.db2.gz FUEGNQWNWCFWSV-RFQIPJPRSA-N 1 1 268.357 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@](O)(CF)C2)C1 ZINC001169013773 927619339 /nfs/dbraw/zinc/61/93/39/927619339.db2.gz WHXHBPDTYRUUSO-UPJWGTAASA-N 1 1 274.336 1.618 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cccnc3C2)C1 ZINC001169036136 927645163 /nfs/dbraw/zinc/64/51/63/927645163.db2.gz FMCPCMIGELUMDY-WCQYABFASA-N 1 1 261.325 1.885 20 5 CDBDMO C[N@@H+](CCC1OCCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040127 927653600 /nfs/dbraw/zinc/65/36/00/927653600.db2.gz YBQCDZNBOPEHKB-MNOVXSKESA-N 1 1 258.318 1.127 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042471 927655973 /nfs/dbraw/zinc/65/59/73/927655973.db2.gz DUWWLIUQYUNSBW-IHRRRGAJSA-N 1 1 291.351 1.980 20 5 CDBDMO CCN1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024818 927662815 /nfs/dbraw/zinc/66/28/15/927662815.db2.gz RAYVDGHUDXGOFW-CBBWQLFWSA-N 1 1 297.399 1.084 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@H]2C2CC2)C1 ZINC001169047859 927665604 /nfs/dbraw/zinc/66/56/04/927665604.db2.gz RXPBESVLJRKDPF-RTXFEEFZSA-N 1 1 254.330 1.543 20 5 CDBDMO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169050050 927669878 /nfs/dbraw/zinc/66/98/78/927669878.db2.gz YJYAOKYRLOILGR-SYQHCUMBSA-N 1 1 267.373 1.458 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001156390128 928480157 /nfs/dbraw/zinc/48/01/57/928480157.db2.gz WGNKYELHVILUFO-JTQLQIEISA-N 1 1 279.344 1.716 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1N[C@H](N)CCC[NH3+] ZINC001170900881 930702808 /nfs/dbraw/zinc/70/28/08/930702808.db2.gz ZGGOYPOCVQHYTN-LBPRGKRZSA-N 1 1 268.317 1.429 20 5 CDBDMO CCOC(=O)c1ccc(N[C@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170900489 930704385 /nfs/dbraw/zinc/70/43/85/930704385.db2.gz LQWWKDPPSOKJCN-LBPRGKRZSA-N 1 1 296.327 1.207 20 5 CDBDMO CCOc1cc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170902853 930707988 /nfs/dbraw/zinc/70/79/88/930707988.db2.gz GEKSSVLJBCYYOB-LBPRGKRZSA-N 1 1 268.317 1.429 20 5 CDBDMO CCOC(=O)c1cc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170905071 930719391 /nfs/dbraw/zinc/71/93/91/930719391.db2.gz QWTLPJLFKXSVAX-LBPRGKRZSA-N 1 1 296.327 1.207 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818971902 930747916 /nfs/dbraw/zinc/74/79/16/930747916.db2.gz RSYQZFUPADWILN-LLVKDONJSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818971902 930747922 /nfs/dbraw/zinc/74/79/22/930747922.db2.gz RSYQZFUPADWILN-LLVKDONJSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001157259715 938469996 /nfs/dbraw/zinc/46/99/96/938469996.db2.gz FSDQAQRPNISPLK-JQWIXIFHSA-N 1 1 262.313 1.520 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157261595 938470946 /nfs/dbraw/zinc/47/09/46/938470946.db2.gz SCABSFFFQNKKRW-MNOVXSKESA-N 1 1 262.313 1.520 20 5 CDBDMO CCOc1nc(N(CC)C2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC001157455969 938494730 /nfs/dbraw/zinc/49/47/30/938494730.db2.gz HWXHNRRTNBHNIP-UHFFFAOYSA-N 1 1 280.328 1.529 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001159743005 938748812 /nfs/dbraw/zinc/74/88/12/938748812.db2.gz BIOLVDXANGTSEC-SNVBAGLBSA-N 1 1 274.708 1.421 20 5 CDBDMO O=C(NCCC1=CC[N@@H+](CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097480 938768936 /nfs/dbraw/zinc/76/89/36/938768936.db2.gz KHHBJHZCRLJIOS-CHWSQXEVSA-N 1 1 299.346 1.150 20 5 CDBDMO O=C(NCCC1=CC[N@H+](CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160097480 938768938 /nfs/dbraw/zinc/76/89/38/938768938.db2.gz KHHBJHZCRLJIOS-CHWSQXEVSA-N 1 1 299.346 1.150 20 5 CDBDMO O=C(NCCC1=CC[N@@H+](CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160097480 938768940 /nfs/dbraw/zinc/76/89/40/938768940.db2.gz KHHBJHZCRLJIOS-CHWSQXEVSA-N 1 1 299.346 1.150 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001160152857 938772068 /nfs/dbraw/zinc/77/20/68/938772068.db2.gz IQXYWMXEHIGXBV-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO Nc1cc(NCc2[nH+]cn3ccccc23)ncc1[N+](=O)[O-] ZINC001161684262 938920604 /nfs/dbraw/zinc/92/06/04/938920604.db2.gz LZIFEDIIUVGGAI-UHFFFAOYSA-N 1 1 284.279 1.832 20 5 CDBDMO [NH3+]Cc1cn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])cn1 ZINC001162304461 938976201 /nfs/dbraw/zinc/97/62/01/938976201.db2.gz SMRHIEUOQPGVRA-UHFFFAOYSA-N 1 1 258.241 1.116 20 5 CDBDMO Cc1cnc(N2CCC(F)(F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164317260 939453686 /nfs/dbraw/zinc/45/36/86/939453686.db2.gz QAVGSIXFRKRVAU-SECBINFHSA-N 1 1 272.255 1.471 20 5 CDBDMO Cc1cnc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165204135 939524227 /nfs/dbraw/zinc/52/42/27/939524227.db2.gz VBSSLKZMPYSMNO-LLVKDONJSA-N 1 1 292.339 1.208 20 5 CDBDMO Cc1ccnc(O[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001226115874 941953008 /nfs/dbraw/zinc/95/30/08/941953008.db2.gz JWKBLKNLFZBJQE-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO Cc1[nH]c(=O)nc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001227111720 942135043 /nfs/dbraw/zinc/13/50/43/942135043.db2.gz QBMMDYLNBNIJAT-SSDOTTSWSA-O 1 1 260.745 1.618 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227122482 942137169 /nfs/dbraw/zinc/13/71/69/942137169.db2.gz QIDGWYIWLLDQJT-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])n1 ZINC001227222297 942152162 /nfs/dbraw/zinc/15/21/62/942152162.db2.gz LAWHFYNYBXQDAC-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])n1 ZINC001227222297 942152165 /nfs/dbraw/zinc/15/21/65/942152165.db2.gz LAWHFYNYBXQDAC-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229484171 942480394 /nfs/dbraw/zinc/48/03/94/942480394.db2.gz HFTNZBXJFZMMJF-VIFPVBQESA-N 1 1 263.253 1.819 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001230491679 942624885 /nfs/dbraw/zinc/62/48/85/942624885.db2.gz ZULCERZXKWNMMI-VIFPVBQESA-N 1 1 281.268 1.894 20 5 CDBDMO CO[C@@H]1CC[N@H+](CCOc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231261329 942837993 /nfs/dbraw/zinc/83/79/93/942837993.db2.gz ARNYDFBFSXLVAE-SNVBAGLBSA-N 1 1 297.311 1.103 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231261329 942837996 /nfs/dbraw/zinc/83/79/96/942837996.db2.gz ARNYDFBFSXLVAE-SNVBAGLBSA-N 1 1 297.311 1.103 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601386 947549790 /nfs/dbraw/zinc/54/97/90/947549790.db2.gz ZATHQKFFPKSXCW-CABCVRRESA-N 1 1 276.336 1.909 20 5 CDBDMO CN1CC[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254603641 947553589 /nfs/dbraw/zinc/55/35/89/947553589.db2.gz PKYLFXHDVKNTLS-APHBMKBZSA-N 1 1 287.363 1.698 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCNC1)C2 ZINC001246119053 947969566 /nfs/dbraw/zinc/96/95/66/947969566.db2.gz ANGJIZLUZGFDLS-QWHCGFSZSA-N 1 1 261.325 1.404 20 5 CDBDMO CCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CNC1 ZINC001246226212 948040304 /nfs/dbraw/zinc/04/03/04/948040304.db2.gz BHGGPDOQYZSMHV-LLVKDONJSA-N 1 1 293.367 1.876 20 5 CDBDMO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC1 ZINC001249229990 949474271 /nfs/dbraw/zinc/47/42/71/949474271.db2.gz UAICTIHWFRASFE-QMMMGPOBSA-N 1 1 279.231 1.589 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001336198912 960245982 /nfs/dbraw/zinc/24/59/82/960245982.db2.gz FZVAWDCMLWNVDF-SECBINFHSA-N 1 1 266.301 1.137 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745076 960538060 /nfs/dbraw/zinc/53/80/60/960538060.db2.gz MGCSPPJJEWMNMH-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC001337266813 961070276 /nfs/dbraw/zinc/07/02/76/961070276.db2.gz GEKXHOUGOWEJBW-NXEZZACHSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCN1C ZINC001337266813 961070297 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CDBDMO COC1(CO)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000618551352 349480511 /nfs/dbraw/zinc/48/05/11/349480511.db2.gz XKRMAXQPUBOTMR-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611528966 346813727 /nfs/dbraw/zinc/81/37/27/346813727.db2.gz JEIUBPMLBLANHN-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611528966 346813732 /nfs/dbraw/zinc/81/37/32/346813732.db2.gz JEIUBPMLBLANHN-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000590687818 342582804 /nfs/dbraw/zinc/58/28/04/342582804.db2.gz ZGBDZUNQEOELLD-NSHDSACASA-N 1 1 279.344 1.257 20 5 CDBDMO C[N@@H+](CCC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592144190 342673010 /nfs/dbraw/zinc/67/30/10/342673010.db2.gz BNZQSZCXBOQSRJ-LBPRGKRZSA-N 1 1 284.360 1.520 20 5 CDBDMO C[C@@H]1[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592766918 342725758 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C[NH+](C)CC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457205909 365708566 /nfs/dbraw/zinc/70/85/66/365708566.db2.gz LBTVWQIZRDBOAA-UHFFFAOYSA-N 1 1 281.312 1.370 20 5 CDBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595856293 343165443 /nfs/dbraw/zinc/16/54/43/343165443.db2.gz AIDOCFVMNPNKQD-GPWHNMLOSA-N 1 1 294.355 1.415 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756147 342418700 /nfs/dbraw/zinc/41/87/00/342418700.db2.gz OKGBFBLXXXORHR-ZDUSSCGKSA-N 1 1 291.351 1.971 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343781 343771424 /nfs/dbraw/zinc/77/14/24/343771424.db2.gz XSFNAPGLCWEXOT-GFCCVEGCSA-N 1 1 277.324 1.809 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC(F)(F)CC2)n1 ZINC000599552194 344080771 /nfs/dbraw/zinc/08/07/71/344080771.db2.gz XBSMTPXNEULPTF-UHFFFAOYSA-N 1 1 274.271 1.913 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000601913983 344279722 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Cc1[nH+]ccn1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000052191008 345234754 /nfs/dbraw/zinc/23/47/54/345234754.db2.gz SXIZUERCMKYEQW-UHFFFAOYSA-N 1 1 280.309 1.591 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCCO)C2CC2)c1 ZINC000609848181 346006649 /nfs/dbraw/zinc/00/66/49/346006649.db2.gz GTSBRFLFWNBEOS-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)CO ZINC000609894830 346037245 /nfs/dbraw/zinc/03/72/45/346037245.db2.gz CEEUHSLIFCQGOD-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)CO ZINC000609894830 346037249 /nfs/dbraw/zinc/03/72/49/346037249.db2.gz CEEUHSLIFCQGOD-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000610276480 346240401 /nfs/dbraw/zinc/24/04/01/346240401.db2.gz ZGDPEABPKFPENO-QWRGUYRKSA-N 1 1 297.380 1.692 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](n3ccnc3)C2)n1 ZINC000610485187 346291827 /nfs/dbraw/zinc/29/18/27/346291827.db2.gz VMTRENYFXGRAAB-LBPRGKRZSA-N 1 1 290.327 1.325 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(O)CC1 ZINC000161212780 362689991 /nfs/dbraw/zinc/68/99/91/362689991.db2.gz ASBCQFGHFRNBDT-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000266056121 362710874 /nfs/dbraw/zinc/71/08/74/362710874.db2.gz XZFZCVMAQDPNGB-SECBINFHSA-N 1 1 295.368 1.834 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610782908 346409279 /nfs/dbraw/zinc/40/92/79/346409279.db2.gz ZAIKVQSFQZBIDM-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610782908 346409280 /nfs/dbraw/zinc/40/92/80/346409280.db2.gz ZAIKVQSFQZBIDM-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000611510292 346800961 /nfs/dbraw/zinc/80/09/61/346800961.db2.gz HMHXTXJJYNALCV-ZYHUDNBSSA-N 1 1 262.313 1.520 20 5 CDBDMO O=[N+]([O-])c1ccsc1NCC[N@@H+]1CCCOCC1 ZINC000614982644 348292672 /nfs/dbraw/zinc/29/26/72/348292672.db2.gz TTWQJFNWENQZJP-UHFFFAOYSA-N 1 1 271.342 1.791 20 5 CDBDMO O=[N+]([O-])c1ccsc1NCC[N@H+]1CCCOCC1 ZINC000614982644 348292675 /nfs/dbraw/zinc/29/26/75/348292675.db2.gz TTWQJFNWENQZJP-UHFFFAOYSA-N 1 1 271.342 1.791 20 5 CDBDMO C[N@@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000063118149 348918897 /nfs/dbraw/zinc/91/88/97/348918897.db2.gz XICFNMLQFWZLRI-UHFFFAOYSA-N 1 1 293.323 1.184 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000266085694 362935999 /nfs/dbraw/zinc/93/59/99/362935999.db2.gz OOAMMNQUCFNYPY-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551238 180002888 /nfs/dbraw/zinc/00/28/88/180002888.db2.gz OVTXBTFHYRTAQJ-GFCCVEGCSA-N 1 1 297.380 1.584 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CO)c2c(c1)COCO2 ZINC000104961873 186035736 /nfs/dbraw/zinc/03/57/36/186035736.db2.gz YPGCQRUUUFTCSN-LBPRGKRZSA-N 1 1 294.307 1.418 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CO)c2c(c1)COCO2 ZINC000104961873 186035738 /nfs/dbraw/zinc/03/57/38/186035738.db2.gz YPGCQRUUUFTCSN-LBPRGKRZSA-N 1 1 294.307 1.418 20 5 CDBDMO COCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105832056 186075784 /nfs/dbraw/zinc/07/57/84/186075784.db2.gz ZOWVYRXRVMRYLG-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO COC[C@H]1CCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000364134020 362958543 /nfs/dbraw/zinc/95/85/43/362958543.db2.gz DDFGVKZAPSFUKI-LBPRGKRZSA-N 1 1 282.344 1.540 20 5 CDBDMO C[N@@H+](C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577149 350786211 /nfs/dbraw/zinc/78/62/11/350786211.db2.gz ABUCQTYCTKETEN-AWEZNQCLSA-N 1 1 279.340 1.140 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292055600 198147819 /nfs/dbraw/zinc/14/78/19/198147819.db2.gz CASZYAOXNIXLJN-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281059 198229672 /nfs/dbraw/zinc/22/96/72/198229672.db2.gz QUSYNMZJDUBIHB-ZDUSSCGKSA-N 1 1 295.364 1.824 20 5 CDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000112839622 366160249 /nfs/dbraw/zinc/16/02/49/366160249.db2.gz ASELPBHSONJWDK-CABCVRRESA-N 1 1 291.351 1.548 20 5 CDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000411934207 363383371 /nfs/dbraw/zinc/38/33/71/363383371.db2.gz KGVNSALNDOSNDL-JTQLQIEISA-N 1 1 295.314 1.644 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280300776 363429441 /nfs/dbraw/zinc/42/94/41/363429441.db2.gz OXVPZNHJUROANI-SWLSCSKDSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280300776 363429444 /nfs/dbraw/zinc/42/94/44/363429444.db2.gz OXVPZNHJUROANI-SWLSCSKDSA-N 1 1 292.335 1.975 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000271837477 191359557 /nfs/dbraw/zinc/35/95/57/191359557.db2.gz HSTJABXSSKVKKI-UHFFFAOYSA-N 1 1 281.337 1.648 20 5 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COCCCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419390510 392891814 /nfs/dbraw/zinc/89/18/14/392891814.db2.gz VEHZBNGFTNESSA-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO CNC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130906645 392984428 /nfs/dbraw/zinc/98/44/28/392984428.db2.gz NUYGHYRQSUJRTN-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(C)[C@@H]([NH3+])CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000430560012 393100731 /nfs/dbraw/zinc/10/07/31/393100731.db2.gz YFJASEPXVBGXFC-LBPRGKRZSA-N 1 1 269.349 1.097 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCNC1=O ZINC000374874019 393057512 /nfs/dbraw/zinc/05/75/12/393057512.db2.gz JEYDXRRVGMNLPQ-ZDUSSCGKSA-N 1 1 295.314 1.834 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCNC1=O ZINC000374874019 393057517 /nfs/dbraw/zinc/05/75/17/393057517.db2.gz JEYDXRRVGMNLPQ-ZDUSSCGKSA-N 1 1 295.314 1.834 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275462809 135107728 /nfs/dbraw/zinc/10/77/28/135107728.db2.gz ZAAPOOYVUNWFPV-VXGBXAGGSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193569067 140146317 /nfs/dbraw/zinc/14/63/17/140146317.db2.gz GBZZOVVQWDKXAN-PRHODGIISA-N 1 1 297.742 1.862 20 5 CDBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667288 140321279 /nfs/dbraw/zinc/32/12/79/140321279.db2.gz IEHVBBOTWJJUCH-KBPBESRZSA-N 1 1 291.351 1.548 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352665864 155336703 /nfs/dbraw/zinc/33/67/03/155336703.db2.gz GDNGBMLHVHXSGX-CHWSQXEVSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@H+]1C ZINC000343449083 152181915 /nfs/dbraw/zinc/18/19/15/152181915.db2.gz OBJMMMQSGGAETI-UWVGGRQHSA-N 1 1 280.328 1.146 20 5 CDBDMO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000344417871 152526027 /nfs/dbraw/zinc/52/60/27/152526027.db2.gz IBEXJBSUPKKJLS-NXEZZACHSA-N 1 1 281.312 1.743 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220502 154070106 /nfs/dbraw/zinc/07/01/06/154070106.db2.gz UAUIACWQJBHJLL-LBPRGKRZSA-N 1 1 285.731 1.727 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)O ZINC000352195965 155016313 /nfs/dbraw/zinc/01/63/13/155016313.db2.gz VPCHQXAVSXVCKZ-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352228879 155040874 /nfs/dbraw/zinc/04/08/74/155040874.db2.gz BDKWJMNUGOXZIU-LLVKDONJSA-N 1 1 295.339 1.260 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000375349784 160371690 /nfs/dbraw/zinc/37/16/90/160371690.db2.gz PNLUCERHWHNKMZ-NWDGAFQWSA-N 1 1 280.328 1.435 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000373645369 160218015 /nfs/dbraw/zinc/21/80/15/160218015.db2.gz CRSCDZAFUVWTIZ-CYBMUJFWSA-N 1 1 282.344 1.682 20 5 CDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CO ZINC000361655352 165087791 /nfs/dbraw/zinc/08/77/91/165087791.db2.gz PCPRIXDSZOUOFN-WPRPVWTQSA-N 1 1 256.327 1.717 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CO ZINC000361655352 165087793 /nfs/dbraw/zinc/08/77/93/165087793.db2.gz PCPRIXDSZOUOFN-WPRPVWTQSA-N 1 1 256.327 1.717 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454470 174267297 /nfs/dbraw/zinc/26/72/97/174267297.db2.gz OHAIEPXEAVSOBX-VIFPVBQESA-N 1 1 251.290 1.281 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C ZINC000044563280 175206934 /nfs/dbraw/zinc/20/69/34/175206934.db2.gz ZZOLXWXIZSXMLW-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO C[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278160617 273899524 /nfs/dbraw/zinc/89/95/24/273899524.db2.gz BZOBYALPTXZVCM-UHFFFAOYSA-N 1 1 290.245 1.760 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000274989980 274118447 /nfs/dbraw/zinc/11/84/47/274118447.db2.gz DKJQCPYENHUJTQ-NSHDSACASA-N 1 1 295.339 1.106 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505861 274336396 /nfs/dbraw/zinc/33/63/96/274336396.db2.gz PFZKSYNYYKBNGN-MFKMUULPSA-N 1 1 289.335 1.682 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@@H]21 ZINC000408338063 277083274 /nfs/dbraw/zinc/08/32/74/277083274.db2.gz ISDLTZGAKPCEGT-GWCFXTLKSA-N 1 1 292.339 1.479 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152674 277186283 /nfs/dbraw/zinc/18/62/83/277186283.db2.gz CIRJAOOFFYFYND-ZDUSSCGKSA-N 1 1 262.313 1.522 20 5 CDBDMO C[C@@H](N)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423462975 278311420 /nfs/dbraw/zinc/31/14/20/278311420.db2.gz KZINGYCMWCTYTC-GMTAPVOTSA-N 1 1 251.330 1.851 20 5 CDBDMO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423462975 278311421 /nfs/dbraw/zinc/31/14/21/278311421.db2.gz KZINGYCMWCTYTC-GMTAPVOTSA-N 1 1 251.330 1.851 20 5 CDBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000108337576 279305461 /nfs/dbraw/zinc/30/54/61/279305461.db2.gz BAWVDXMTQAQLBF-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC000352774799 281019499 /nfs/dbraw/zinc/01/94/99/281019499.db2.gz XABWLKLXMVPDTB-MFKMUULPSA-N 1 1 277.324 1.785 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC000352774799 281019501 /nfs/dbraw/zinc/01/95/01/281019501.db2.gz XABWLKLXMVPDTB-MFKMUULPSA-N 1 1 277.324 1.785 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000112208853 281259755 /nfs/dbraw/zinc/25/97/55/281259755.db2.gz QNCWFDAKBDHTAZ-UHFFFAOYSA-N 1 1 265.313 1.018 20 5 CDBDMO CN(C)C(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255053940 289352882 /nfs/dbraw/zinc/35/28/82/289352882.db2.gz NSIDVIXWNKPJBE-VURMDHGXSA-N 1 1 277.324 1.628 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255053940 289352883 /nfs/dbraw/zinc/35/28/83/289352883.db2.gz NSIDVIXWNKPJBE-VURMDHGXSA-N 1 1 277.324 1.628 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255863818 289387802 /nfs/dbraw/zinc/38/78/02/289387802.db2.gz ZJUAJZMGLHMWRK-KTLBGCOUSA-N 1 1 275.308 1.415 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000557361467 290342301 /nfs/dbraw/zinc/34/23/01/290342301.db2.gz PXXMUVDINFJYSN-CYBMUJFWSA-N 1 1 291.351 1.547 20 5 CDBDMO C[C@H](C(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564385765 293350944 /nfs/dbraw/zinc/35/09/44/293350944.db2.gz WABLIPOVKVRADU-NSHDSACASA-N 1 1 277.324 1.472 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)n1 ZINC000567220552 293736273 /nfs/dbraw/zinc/73/62/73/293736273.db2.gz OWLUMLHKUZVREH-UHFFFAOYSA-N 1 1 278.224 1.093 20 5 CDBDMO CC[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000112928515 521053422 /nfs/dbraw/zinc/05/34/22/521053422.db2.gz SBOVOYGBZMVVCY-UHFFFAOYSA-N 1 1 293.367 1.984 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000336840746 523146795 /nfs/dbraw/zinc/14/67/95/523146795.db2.gz QPENLLRXQUCZPQ-JTQLQIEISA-N 1 1 279.344 1.768 20 5 CDBDMO COc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338423151 523695419 /nfs/dbraw/zinc/69/54/19/523695419.db2.gz UKBCVPAIBDABIL-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660367 524611564 /nfs/dbraw/zinc/61/15/64/524611564.db2.gz HHXRERKSLXBXAN-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245660367 524611574 /nfs/dbraw/zinc/61/15/74/524611574.db2.gz HHXRERKSLXBXAN-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245660367 524611586 /nfs/dbraw/zinc/61/15/86/524611586.db2.gz HHXRERKSLXBXAN-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264635383 536476341 /nfs/dbraw/zinc/47/63/41/536476341.db2.gz OZQKXSFEBAIOIG-NNNHXZLVSA-N 1 1 289.335 1.676 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835270 575389775 /nfs/dbraw/zinc/38/97/75/575389775.db2.gz RFGCSCWHYKFZAG-JTQLQIEISA-N 1 1 297.742 1.946 20 5 CDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835270 575389776 /nfs/dbraw/zinc/38/97/76/575389776.db2.gz RFGCSCWHYKFZAG-JTQLQIEISA-N 1 1 297.742 1.946 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773258101 575795412 /nfs/dbraw/zinc/79/54/12/575795412.db2.gz GUFFNHXCAFNCCG-QWHCGFSZSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000773258101 575795413 /nfs/dbraw/zinc/79/54/13/575795413.db2.gz GUFFNHXCAFNCCG-QWHCGFSZSA-N 1 1 294.355 1.887 20 5 CDBDMO C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954273 576608702 /nfs/dbraw/zinc/60/87/02/576608702.db2.gz LIRAKKMNLHKPBS-RYUDHWBXSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954273 576608704 /nfs/dbraw/zinc/60/87/04/576608704.db2.gz LIRAKKMNLHKPBS-RYUDHWBXSA-N 1 1 291.351 1.861 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000893577014 617610754 /nfs/dbraw/zinc/61/07/54/617610754.db2.gz DPGZPJFSHWECMM-UHFFFAOYSA-N 1 1 296.323 1.656 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893924453 618182041 /nfs/dbraw/zinc/18/20/41/618182041.db2.gz SNJGHQOHDZKHHM-SNVBAGLBSA-N 1 1 269.349 1.861 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000893940752 618203309 /nfs/dbraw/zinc/20/33/09/618203309.db2.gz PPKLKTYMIFCJSU-YGRLFVJLSA-N 1 1 299.334 1.678 20 5 CDBDMO Cc1nc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941121 618204962 /nfs/dbraw/zinc/20/49/62/618204962.db2.gz QTZRHDVBXREHJX-JQWIXIFHSA-N 1 1 262.313 1.439 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNc1c([N+](=O)[O-])ncn1C ZINC000895988118 619938354 /nfs/dbraw/zinc/93/83/54/619938354.db2.gz KQMBUPGMDBTVSN-UHFFFAOYSA-N 1 1 278.316 1.760 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000897680171 621067019 /nfs/dbraw/zinc/06/70/19/621067019.db2.gz QFZMHLCYGIWYGU-KWQFWETISA-N 1 1 282.296 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000897680171 621067022 /nfs/dbraw/zinc/06/70/22/621067022.db2.gz QFZMHLCYGIWYGU-KWQFWETISA-N 1 1 282.296 1.122 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000903003321 625767483 /nfs/dbraw/zinc/76/74/83/625767483.db2.gz LPVWNIBHUREKQH-WCQYABFASA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](F)C2)c1 ZINC000903003321 625767494 /nfs/dbraw/zinc/76/74/94/625767494.db2.gz LPVWNIBHUREKQH-WCQYABFASA-N 1 1 298.314 1.768 20 5 CDBDMO CC(C)[N@H+](C)Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000905056990 626606683 /nfs/dbraw/zinc/60/66/83/626606683.db2.gz FYJULDBTEFPKMH-UHFFFAOYSA-N 1 1 276.300 1.411 20 5 CDBDMO CC(C)[N@@H+](C)Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000905056990 626606684 /nfs/dbraw/zinc/60/66/84/626606684.db2.gz FYJULDBTEFPKMH-UHFFFAOYSA-N 1 1 276.300 1.411 20 5 CDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000905213543 626694812 /nfs/dbraw/zinc/69/48/12/626694812.db2.gz CHKGIGHKRDEPIW-AAEUAGOBSA-N 1 1 251.330 1.544 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905403274 626797668 /nfs/dbraw/zinc/79/76/68/626797668.db2.gz FTHRQZXQZDMEGN-CQSZACIVSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905403274 626797672 /nfs/dbraw/zinc/79/76/72/626797672.db2.gz FTHRQZXQZDMEGN-CQSZACIVSA-N 1 1 263.341 1.436 20 5 CDBDMO CC[C@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000916572241 632019514 /nfs/dbraw/zinc/01/95/14/632019514.db2.gz ZIEBGPXMROGTDV-SNVBAGLBSA-N 1 1 292.295 1.505 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170339460 1162346830 /nfs/dbraw/zinc/34/68/30/1162346830.db2.gz CGAZVPQIYJDPDB-NWDGAFQWSA-N 1 1 294.351 1.849 20 5 CDBDMO CC[N@@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622172 1178225527 /nfs/dbraw/zinc/22/55/27/1178225527.db2.gz UMYIAPRCOWXMAA-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622172 1178225533 /nfs/dbraw/zinc/22/55/33/1178225533.db2.gz UMYIAPRCOWXMAA-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO CCC[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776271946 705471375 /nfs/dbraw/zinc/47/13/75/705471375.db2.gz PENREKRLRGNQAE-ZDUSSCGKSA-N 1 1 268.313 1.333 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000931396449 705489560 /nfs/dbraw/zinc/48/95/60/705489560.db2.gz WUPWMQJPEYHGIR-OKILXGFUSA-N 1 1 291.351 1.752 20 5 CDBDMO CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644364 705586202 /nfs/dbraw/zinc/58/62/02/705586202.db2.gz FGXAQIDFWILEDM-DDHJBXDOSA-N 1 1 269.345 1.079 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000872773878 705647731 /nfs/dbraw/zinc/64/77/31/705647731.db2.gz YKRHVJHACABTCF-LBPRGKRZSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[C@H]1COCC[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000872773878 705647732 /nfs/dbraw/zinc/64/77/32/705647732.db2.gz YKRHVJHACABTCF-LBPRGKRZSA-N 1 1 294.355 1.700 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853799885 705777974 /nfs/dbraw/zinc/77/79/74/705777974.db2.gz OWTUFKNTHBYPGE-MNOVXSKESA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853799885 705777979 /nfs/dbraw/zinc/77/79/79/705777979.db2.gz OWTUFKNTHBYPGE-MNOVXSKESA-N 1 1 294.355 1.698 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000226130170 705813893 /nfs/dbraw/zinc/81/38/93/705813893.db2.gz KVWQVCYMHSIMCA-SNVBAGLBSA-N 1 1 281.287 1.558 20 5 CDBDMO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570602 706111794 /nfs/dbraw/zinc/11/17/94/706111794.db2.gz GLRVLVQCGOUDTA-HKUMRIAESA-N 1 1 283.372 1.278 20 5 CDBDMO CCOCC[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583128 706120876 /nfs/dbraw/zinc/12/08/76/706120876.db2.gz XFSTVHLIXRWMBE-AWEZNQCLSA-N 1 1 282.340 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880298959 709615134 /nfs/dbraw/zinc/61/51/34/709615134.db2.gz MNSWBGDMWHYZML-GXFFZTMASA-N 1 1 268.288 1.920 20 5 CDBDMO C[N@@H+](CCO)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000884825114 709775100 /nfs/dbraw/zinc/77/51/00/709775100.db2.gz FYGZWIOHDZWEOQ-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000791055427 709887630 /nfs/dbraw/zinc/88/76/30/709887630.db2.gz UKEOHZIYWLINKB-GFCCVEGCSA-N 1 1 292.339 1.317 20 5 CDBDMO CC[C@@H]([NH2+]C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854157133 710221361 /nfs/dbraw/zinc/22/13/61/710221361.db2.gz CJXQAIDXSUHHNZ-MRVPVSSYSA-N 1 1 256.306 1.728 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000162582721 710337031 /nfs/dbraw/zinc/33/70/31/710337031.db2.gz COGSEHFNXZHKRN-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000931177967 710430289 /nfs/dbraw/zinc/43/02/89/710430289.db2.gz YRATYKGPRBAVAT-ZDUSSCGKSA-N 1 1 250.298 1.247 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000931177967 710430294 /nfs/dbraw/zinc/43/02/94/710430294.db2.gz YRATYKGPRBAVAT-ZDUSSCGKSA-N 1 1 250.298 1.247 20 5 CDBDMO CC1(C)CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000882232090 710579584 /nfs/dbraw/zinc/57/95/84/710579584.db2.gz MPSBHQJBXBZBPA-UHFFFAOYSA-N 1 1 298.318 1.022 20 5 CDBDMO CC1(C)CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000882232090 710579585 /nfs/dbraw/zinc/57/95/85/710579585.db2.gz MPSBHQJBXBZBPA-UHFFFAOYSA-N 1 1 298.318 1.022 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000847016597 711382799 /nfs/dbraw/zinc/38/27/99/711382799.db2.gz LQNNPKZKMQHJNP-HUUCEWRRSA-N 1 1 294.351 1.865 20 5 CDBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000812909287 711590570 /nfs/dbraw/zinc/59/05/70/711590570.db2.gz VZYDRVPTBYYYOF-FZMZJTMJSA-N 1 1 282.340 1.985 20 5 CDBDMO CC(C)(C(=O)OCc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000884507973 711608529 /nfs/dbraw/zinc/60/85/29/711608529.db2.gz QSAJGWNRPMGHME-UHFFFAOYSA-N 1 1 293.323 1.907 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880232565 711684219 /nfs/dbraw/zinc/68/42/19/711684219.db2.gz CKUHERJVGVUNQL-SNVBAGLBSA-N 1 1 295.314 1.875 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064111 711700192 /nfs/dbraw/zinc/70/01/92/711700192.db2.gz WTXVLWBNMHNLEU-XJFOESAGSA-N 1 1 295.383 1.469 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](CCCCO)CC1 ZINC000882011697 711766520 /nfs/dbraw/zinc/76/65/20/711766520.db2.gz BEVIXZOVCGZZMQ-UHFFFAOYSA-N 1 1 298.318 1.023 20 5 CDBDMO CC(C)[N@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366659 1167476238 /nfs/dbraw/zinc/47/62/38/1167476238.db2.gz OFGSCLNEAVFSOL-CQSZACIVSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(C)[N@@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366659 1167476241 /nfs/dbraw/zinc/47/62/41/1167476241.db2.gz OFGSCLNEAVFSOL-CQSZACIVSA-N 1 1 281.356 1.558 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001173223033 912309922 /nfs/dbraw/zinc/30/99/22/912309922.db2.gz WPOFYKWXNUSPDR-MJVIPROJSA-N 1 1 264.325 1.838 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cnnc2C1 ZINC001173223590 912311205 /nfs/dbraw/zinc/31/12/05/912311205.db2.gz BHDLJOOUMVMNMB-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cnnc2C1 ZINC001173223590 912311223 /nfs/dbraw/zinc/31/12/23/912311223.db2.gz BHDLJOOUMVMNMB-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])n1 ZINC001173236113 912330748 /nfs/dbraw/zinc/33/07/48/912330748.db2.gz WWXZSTVLMWLZPR-SECBINFHSA-N 1 1 261.285 1.449 20 5 CDBDMO C[N@H+]1CCCC12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001120914141 912662699 /nfs/dbraw/zinc/66/26/99/912662699.db2.gz LLATZCQIOUWXTI-UHFFFAOYSA-N 1 1 291.355 1.637 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])cn1 ZINC001167781185 900515153 /nfs/dbraw/zinc/51/51/53/900515153.db2.gz HPVPXHMHGVEPEO-UHFFFAOYSA-N 1 1 259.269 1.888 20 5 CDBDMO Cc1cc(Cl)c(-n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001168755753 922731774 /nfs/dbraw/zinc/73/17/74/922731774.db2.gz FJUXWKWUNQBRTC-UHFFFAOYSA-N 1 1 267.676 1.596 20 5 CDBDMO CN(C)CCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979857 927568560 /nfs/dbraw/zinc/56/85/60/927568560.db2.gz BKSFQHYNARWKMH-VXGBXAGGSA-N 1 1 257.378 1.752 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168963850 927586172 /nfs/dbraw/zinc/58/61/72/927586172.db2.gz QIHPEVSJKQIMOZ-NEPJUHHUSA-N 1 1 284.356 1.897 20 5 CDBDMO CC(C)(C)OC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964820 927586462 /nfs/dbraw/zinc/58/64/62/927586462.db2.gz WLMXJHWHFWBHHS-ZJUUUORDSA-N 1 1 258.318 1.363 20 5 CDBDMO Cc1ncc2n1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010240 927614030 /nfs/dbraw/zinc/61/40/30/927614030.db2.gz BRMAYLZVDWKPBD-RYUDHWBXSA-N 1 1 264.329 1.453 20 5 CDBDMO COC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013107 927619418 /nfs/dbraw/zinc/61/94/18/927619418.db2.gz TZWMYADQQYVCQV-SRVKXCTJSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3ncsc3C2)C1 ZINC001169033305 927642459 /nfs/dbraw/zinc/64/24/59/927642459.db2.gz BSXMGTCTBLXWOB-UWVGGRQHSA-N 1 1 267.354 1.947 20 5 CDBDMO O=C1NC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039243 927649636 /nfs/dbraw/zinc/64/96/36/927649636.db2.gz OMZVUYUEKSAMHH-WZRBSPASSA-N 1 1 283.328 1.006 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC001169044534 927657121 /nfs/dbraw/zinc/65/71/21/927657121.db2.gz IEQYNFHDKQPPSQ-JHJVBQTASA-N 1 1 279.344 1.360 20 5 CDBDMO O=C1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC2(CCCC2)N1 ZINC001169056304 927673219 /nfs/dbraw/zinc/67/32/19/927673219.db2.gz RLTVNZIJJOBYGV-NWDGAFQWSA-N 1 1 281.356 1.176 20 5 CDBDMO COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000782617194 937256683 /nfs/dbraw/zinc/25/66/83/937256683.db2.gz NMXUMGNMVURKEW-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000782617194 937256687 /nfs/dbraw/zinc/25/66/87/937256687.db2.gz NMXUMGNMVURKEW-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1ncnc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009305 929102715 /nfs/dbraw/zinc/10/27/15/929102715.db2.gz GRWLIHPWQROOOV-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CC(C)(C)c1cnc(N[C@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170898131 930693565 /nfs/dbraw/zinc/69/35/65/930693565.db2.gz LJNSCAKITZBBDO-NSHDSACASA-N 1 1 281.360 1.723 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])cc1N ZINC001156980248 938443145 /nfs/dbraw/zinc/44/31/45/938443145.db2.gz BMZLXAAWRHJYFG-UHFFFAOYSA-N 1 1 274.284 1.470 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001157000991 938444937 /nfs/dbraw/zinc/44/49/37/938444937.db2.gz KGDWYXOGACYYOP-SECBINFHSA-N 1 1 299.762 1.957 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272554 938473906 /nfs/dbraw/zinc/47/39/06/938473906.db2.gz OHBYWCWWRKCWSM-SKDRFNHKSA-N 1 1 277.328 1.102 20 5 CDBDMO Cc1nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157283242 938475113 /nfs/dbraw/zinc/47/51/13/938475113.db2.gz TVSDMFGHMOOIET-PWSUYJOCSA-N 1 1 277.328 1.224 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC001157691322 938532599 /nfs/dbraw/zinc/53/25/99/938532599.db2.gz IJQYLZVDDPOSNE-PHIMTYICSA-N 1 1 291.355 1.350 20 5 CDBDMO O=C(NCCC[NH2+]CCCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767240 938542833 /nfs/dbraw/zinc/54/28/33/938542833.db2.gz JOTSEPBYPKGOKJ-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ccc([N+](=O)[O-])c(C)n1)C2 ZINC001165384070 939553842 /nfs/dbraw/zinc/55/38/42/939553842.db2.gz CBMUDOCRUDVJGV-UHFFFAOYSA-N 1 1 273.296 1.823 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218233944 941047148 /nfs/dbraw/zinc/04/71/48/941047148.db2.gz BDTXDKCXVXKJHC-SNVBAGLBSA-N 1 1 258.224 1.889 20 5 CDBDMO C[N@@H+]1CCO[C@@H](COCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224778341 941790979 /nfs/dbraw/zinc/79/09/79/941790979.db2.gz KMJPNIDFLCCXQD-CQSZACIVSA-N 1 1 296.323 1.321 20 5 CDBDMO C[N@H+]1CCO[C@@H](COCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224778341 941790982 /nfs/dbraw/zinc/79/09/82/941790982.db2.gz KMJPNIDFLCCXQD-CQSZACIVSA-N 1 1 296.323 1.321 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432531 941858745 /nfs/dbraw/zinc/85/87/45/941858745.db2.gz HTOZRHBEMPUEIP-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225432531 941858748 /nfs/dbraw/zinc/85/87/48/941858748.db2.gz HTOZRHBEMPUEIP-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709251 942054610 /nfs/dbraw/zinc/05/46/10/942054610.db2.gz HACAFDFNAYXTNE-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)[C@H]1CC(=O)C2 ZINC001226709251 942054615 /nfs/dbraw/zinc/05/46/15/942054615.db2.gz HACAFDFNAYXTNE-AXTRIDKLSA-N 1 1 277.280 1.173 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312166 942604613 /nfs/dbraw/zinc/60/46/13/942604613.db2.gz DDOUHTUBEKPTID-VIFPVBQESA-N 1 1 281.268 1.976 20 5 CDBDMO CC(=O)Cc1c(F)c(O[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001230794101 942698852 /nfs/dbraw/zinc/69/88/52/942698852.db2.gz JIUGBTJXCHTEMN-SNVBAGLBSA-N 1 1 296.298 1.948 20 5 CDBDMO CC(=O)Cc1c(F)c(O[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001230794101 942698855 /nfs/dbraw/zinc/69/88/55/942698855.db2.gz JIUGBTJXCHTEMN-SNVBAGLBSA-N 1 1 296.298 1.948 20 5 CDBDMO CC[N@@H+]1CC[C@@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231259275 942836452 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C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708856 357827341 /nfs/dbraw/zinc/82/73/41/357827341.db2.gz WPMKECKTHMVHAH-PRHODGIISA-N 1 1 278.312 1.135 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000364115227 357844003 /nfs/dbraw/zinc/84/40/03/357844003.db2.gz OWUMJZPADFQOAF-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000364115227 357844007 /nfs/dbraw/zinc/84/40/07/357844007.db2.gz OWUMJZPADFQOAF-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294694610 199138278 /nfs/dbraw/zinc/13/82/78/199138278.db2.gz AKBPHXRJQZUTIM-AWEZNQCLSA-N 1 1 295.314 1.297 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264760588 358398440 /nfs/dbraw/zinc/39/84/40/358398440.db2.gz MQYVYOWPLRUYRG-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCOC1 ZINC000106880177 359010342 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Cc1cnn([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000289709509 360336833 /nfs/dbraw/zinc/33/68/33/360336833.db2.gz CFKGISHMQMGDLX-GFCCVEGCSA-N 1 1 290.327 1.243 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924611 360313655 /nfs/dbraw/zinc/31/36/55/360313655.db2.gz JGZCNHRYRRDVJD-OAHLLOKOSA-N 1 1 294.351 1.734 20 5 CDBDMO Cc1nc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000572352696 360416338 /nfs/dbraw/zinc/41/63/38/360416338.db2.gz WITNJYRRUNPDFO-JQWIXIFHSA-N 1 1 291.355 1.756 20 5 CDBDMO C[C@]1(O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978919 189083273 /nfs/dbraw/zinc/08/32/73/189083273.db2.gz IMGOOXBZVYCFAY-ZDUSSCGKSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191775488 361314567 /nfs/dbraw/zinc/31/45/67/361314567.db2.gz BUAPISBLKRHLET-BXUZGUMPSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191775488 361314573 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CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903536 366942833 /nfs/dbraw/zinc/94/28/33/366942833.db2.gz MWOJFFRVXBAKEO-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270714697 366925752 /nfs/dbraw/zinc/92/57/52/366925752.db2.gz JDWDDBVXRVARTH-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO O=c1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH][n-]1 ZINC000271630504 367024245 /nfs/dbraw/zinc/02/42/45/367024245.db2.gz GRPQTODDLBSORE-UHFFFAOYSA-N 1 1 289.295 1.171 20 5 CDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(C)(C)[NH3+] ZINC000414810054 241399975 /nfs/dbraw/zinc/39/99/75/241399975.db2.gz WNYQKMXKJZTVRV-SNVBAGLBSA-N 1 1 294.355 1.639 20 5 CDBDMO COc1ccc(C[NH+]2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000161227809 367689317 /nfs/dbraw/zinc/68/93/17/367689317.db2.gz WGAWJSBROLCTLC-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC(N)=O ZINC000348832652 368069861 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O=C(NCC[NH2+]C1CCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000422854669 245336860 /nfs/dbraw/zinc/33/68/60/245336860.db2.gz BDQPBIPJMGKYFI-UHFFFAOYSA-N 1 1 295.343 1.360 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CC[N@@H+](C)CC1 ZINC000272900846 372328439 /nfs/dbraw/zinc/32/84/39/372328439.db2.gz ISEULIHUKDVDJG-MRVPVSSYSA-N 1 1 278.316 1.029 20 5 CDBDMO CC[N@@H+](CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667585 373505316 /nfs/dbraw/zinc/50/53/16/373505316.db2.gz SYHQPRZHTIWVTP-CYBMUJFWSA-N 1 1 268.313 1.333 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441197 373601196 /nfs/dbraw/zinc/60/11/96/373601196.db2.gz HJNPDAOJYPOYNX-SECBINFHSA-N 1 1 279.296 1.402 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504272 373740140 /nfs/dbraw/zinc/74/01/40/373740140.db2.gz ZPSVIMPUKJPRQN-SECBINFHSA-N 1 1 295.364 1.870 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712585 374205251 /nfs/dbraw/zinc/20/52/51/374205251.db2.gz HEWUUHXKDHQNJK-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943746 374308126 /nfs/dbraw/zinc/30/81/26/374308126.db2.gz QEPHQHMBOBXDCL-OLZOCXBDSA-N 1 1 294.351 1.924 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC12CCC2 ZINC000373095807 374460346 /nfs/dbraw/zinc/46/03/46/374460346.db2.gz AIOZFIXJXSEAIW-UHFFFAOYSA-N 1 1 250.302 1.847 20 5 CDBDMO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275510249 374698175 /nfs/dbraw/zinc/69/81/75/374698175.db2.gz MIPRJFUMXUNLSE-NSHDSACASA-N 1 1 294.355 1.271 20 5 CDBDMO Cc1ccnc(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000070496347 374663163 /nfs/dbraw/zinc/66/31/63/374663163.db2.gz MTOJISAEYSWUSJ-UHFFFAOYSA-N 1 1 250.302 1.804 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@@H+](C)C1CC1 ZINC000274481707 374674202 /nfs/dbraw/zinc/67/42/02/374674202.db2.gz OGCPHVZZAAYLMM-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276830335 374751499 /nfs/dbraw/zinc/75/14/99/374751499.db2.gz AWYVZYMOOFSZEV-GFCCVEGCSA-N 1 1 280.324 1.808 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567007 374867160 /nfs/dbraw/zinc/86/71/60/374867160.db2.gz BAPGQVPUUVQNPN-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499863 374963864 /nfs/dbraw/zinc/96/38/64/374963864.db2.gz NVNYLNAQRGKRJJ-VHSXEESVSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499863 374963870 /nfs/dbraw/zinc/96/38/70/374963870.db2.gz NVNYLNAQRGKRJJ-VHSXEESVSA-N 1 1 290.323 1.674 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC1OCCO1 ZINC000282405361 375084187 /nfs/dbraw/zinc/08/41/87/375084187.db2.gz IELHDBJWYSYLNS-UHFFFAOYSA-N 1 1 280.324 1.832 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000351819709 375333340 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CDBDMO CCCC[N@@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357266924 375894659 /nfs/dbraw/zinc/89/46/59/375894659.db2.gz VKBLBVMXKBXTPZ-UHFFFAOYSA-N 1 1 295.343 1.233 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000194742922 375960507 /nfs/dbraw/zinc/96/05/07/375960507.db2.gz UMBNHKZORHZCCJ-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO CCOc1cc(NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358306900 375960550 /nfs/dbraw/zinc/96/05/50/375960550.db2.gz NKWYPHUJRJSBOV-CQSZACIVSA-N 1 1 295.339 1.472 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(O)cc3C2)n1 ZINC000357936074 375941798 /nfs/dbraw/zinc/94/17/98/375941798.db2.gz VORCUGDNYQKPRJ-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(O)cc3C2)n1 ZINC000357936074 375941804 /nfs/dbraw/zinc/94/18/04/375941804.db2.gz VORCUGDNYQKPRJ-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCNC1=O ZINC000347361507 376010999 /nfs/dbraw/zinc/01/09/99/376010999.db2.gz PBABBDCPQSWQPJ-KOTGUFOOSA-N 1 1 289.335 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172301846 377432564 /nfs/dbraw/zinc/43/25/64/377432564.db2.gz ZPPIZQNJEFKCGV-OAHLLOKOSA-N 1 1 294.351 1.611 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000347697813 377856450 /nfs/dbraw/zinc/85/64/50/377856450.db2.gz RFQZJIYIBJADPV-PHIMTYICSA-N 1 1 293.298 1.368 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173621188 378728340 /nfs/dbraw/zinc/72/83/40/378728340.db2.gz GZNJMEWHENLCPR-ZDUSSCGKSA-N 1 1 291.351 1.595 20 5 CDBDMO CC[N@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653291 250160917 /nfs/dbraw/zinc/16/09/17/250160917.db2.gz LNGHMKRSTPFSJM-UHFFFAOYSA-N 1 1 278.312 1.675 20 5 CDBDMO CC[N@@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653291 250160921 /nfs/dbraw/zinc/16/09/21/250160921.db2.gz LNGHMKRSTPFSJM-UHFFFAOYSA-N 1 1 278.312 1.675 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCO ZINC000267010396 379152296 /nfs/dbraw/zinc/15/22/96/379152296.db2.gz HKFAEGARDCRKBJ-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCO ZINC000267010396 379152304 /nfs/dbraw/zinc/15/23/04/379152304.db2.gz HKFAEGARDCRKBJ-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492766722 253290703 /nfs/dbraw/zinc/29/07/03/253290703.db2.gz GUGDMMWEYCVRJJ-JQWIXIFHSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286501269 390361581 /nfs/dbraw/zinc/36/15/81/390361581.db2.gz YFNTVFFKSWRBLS-DOMZBBRYSA-N 1 1 291.351 1.894 20 5 CDBDMO C[C@H](O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570523 390488815 /nfs/dbraw/zinc/48/88/15/390488815.db2.gz PFQWZQOHYJRNQK-WDEREUQCSA-N 1 1 280.328 1.247 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576122 390521195 /nfs/dbraw/zinc/52/11/95/390521195.db2.gz RZNYANPUSVHZQW-BXKDBHETSA-N 1 1 294.330 1.847 20 5 CDBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000340631865 390941957 /nfs/dbraw/zinc/94/19/57/390941957.db2.gz XZHRDRPCAMKNEJ-UHFFFAOYSA-N 1 1 294.355 1.490 20 5 CDBDMO [NH3+]CC1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000415140188 391261087 /nfs/dbraw/zinc/26/10/87/391261087.db2.gz JXGOJIHKJNRPQO-HWKANZROSA-N 1 1 291.351 1.394 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450951154 391500449 /nfs/dbraw/zinc/50/04/49/391500449.db2.gz OZWAHCVKDDDURY-UHFFFAOYSA-N 1 1 279.344 1.401 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588237 392936668 /nfs/dbraw/zinc/93/66/68/392936668.db2.gz DFFRFEJGVBLZHP-GWCFXTLKSA-N 1 1 290.323 1.156 20 5 CDBDMO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000430203317 393093132 /nfs/dbraw/zinc/09/31/32/393093132.db2.gz DZZCTWJWMHODMO-ZDUSSCGKSA-N 1 1 281.312 1.347 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080414 393065957 /nfs/dbraw/zinc/06/59/57/393065957.db2.gz WRBGGPFLCBLPQM-CABZTGNLSA-N 1 1 292.339 1.146 20 5 CDBDMO C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276646889 393119870 /nfs/dbraw/zinc/11/98/70/393119870.db2.gz QCQMXJVPLIWDPM-UHFFFAOYSA-N 1 1 272.308 1.895 20 5 CDBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000494642335 393235994 /nfs/dbraw/zinc/23/59/94/393235994.db2.gz JGLWTSMHWTXOPS-SECBINFHSA-N 1 1 296.352 1.521 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275369271 135105228 /nfs/dbraw/zinc/10/52/28/135105228.db2.gz NAVFAGSEMKUHAH-GHMZBOCLSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275462805 135107376 /nfs/dbraw/zinc/10/73/76/135107376.db2.gz ZAAPOOYVUNWFPV-NWDGAFQWSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149970 148287115 /nfs/dbraw/zinc/28/71/15/148287115.db2.gz ONAUQTIPOPPMHY-UWVGGRQHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149970 148287117 /nfs/dbraw/zinc/28/71/17/148287117.db2.gz ONAUQTIPOPPMHY-UWVGGRQHSA-N 1 1 268.288 1.937 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000352462585 155202280 /nfs/dbraw/zinc/20/22/80/155202280.db2.gz SVCXMCCXFLIURB-UHFFFAOYSA-N 1 1 297.359 1.342 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660322 155329509 /nfs/dbraw/zinc/32/95/09/155329509.db2.gz NHQMLXIJPHXBOW-OLZOCXBDSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCCC[C@H]1C ZINC000343071561 152021015 /nfs/dbraw/zinc/02/10/15/152021015.db2.gz FTPINOSKRMRRAG-GHMZBOCLSA-N 1 1 294.355 1.916 20 5 CDBDMO CC(C)(O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352703533 155378281 /nfs/dbraw/zinc/37/82/81/155378281.db2.gz BLNJASIUWJYSLY-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC(C)(O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352703533 155378285 /nfs/dbraw/zinc/37/82/85/155378285.db2.gz BLNJASIUWJYSLY-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299891 154084449 /nfs/dbraw/zinc/08/44/49/154084449.db2.gz RTOZNFQEENFOJP-XOIDGJRKSA-N 1 1 250.298 1.921 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221442 155034369 /nfs/dbraw/zinc/03/43/69/155034369.db2.gz MCNZJIZYAOAKQF-QWRGUYRKSA-N 1 1 295.339 1.625 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353783782 156081199 /nfs/dbraw/zinc/08/11/99/156081199.db2.gz CCXCKMCSFLIDDM-CYBMUJFWSA-N 1 1 292.339 1.217 20 5 CDBDMO C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355551409 157113249 /nfs/dbraw/zinc/11/32/49/157113249.db2.gz ICAFSOJXLGTTLP-SNVBAGLBSA-N 1 1 252.318 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362090191 159067448 /nfs/dbraw/zinc/06/74/48/159067448.db2.gz XJSJVJGURDRRNX-ZYHUDNBSSA-N 1 1 280.324 1.664 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285571938 196330355 /nfs/dbraw/zinc/33/03/55/196330355.db2.gz SOFMKZIDYDUIFI-UHFFFAOYSA-N 1 1 296.323 1.439 20 5 CDBDMO O=[N+]([O-])c1ccc(CNCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000321761202 270330549 /nfs/dbraw/zinc/33/05/49/270330549.db2.gz DJYHYMNRZOWWGR-UHFFFAOYSA-N 1 1 297.330 1.280 20 5 CDBDMO CCOc1cccc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000135061442 273709175 /nfs/dbraw/zinc/70/91/75/273709175.db2.gz AXJAHIWTFJRJDA-UHFFFAOYSA-N 1 1 295.339 1.108 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915185 277072815 /nfs/dbraw/zinc/07/28/15/277072815.db2.gz XUMFQLNFVXVUJZ-CQSZACIVSA-N 1 1 276.340 1.912 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108347000 279306066 /nfs/dbraw/zinc/30/60/66/279306066.db2.gz HYWOTYMDJLHZAN-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288571483 279350011 /nfs/dbraw/zinc/35/00/11/279350011.db2.gz ZWEYSQAFWKWRPG-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO C[C@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@H+]1C ZINC000447684583 280116190 /nfs/dbraw/zinc/11/61/90/280116190.db2.gz BTOPQCNJLSSIRE-GXSJLCMTSA-N 1 1 289.339 1.788 20 5 CDBDMO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000562960079 293226189 /nfs/dbraw/zinc/22/61/89/293226189.db2.gz MMFQGXPDVRORQQ-JTQLQIEISA-N 1 1 265.313 1.171 20 5 CDBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891752 295071677 /nfs/dbraw/zinc/07/16/77/295071677.db2.gz HQMDUPMDHQOFRN-RYUDHWBXSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891752 295071678 /nfs/dbraw/zinc/07/16/78/295071678.db2.gz HQMDUPMDHQOFRN-RYUDHWBXSA-N 1 1 291.351 1.861 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCNC1=O ZINC000579137400 324117123 /nfs/dbraw/zinc/11/71/23/324117123.db2.gz BDYLIKCILYUNEJ-CYBMUJFWSA-N 1 1 291.351 1.595 20 5 CDBDMO C[N@H+]1CC[C@](O)(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494192 324206942 /nfs/dbraw/zinc/20/69/42/324206942.db2.gz GPACXNCDOVQPQY-HIFRSBDPSA-N 1 1 291.351 1.238 20 5 CDBDMO CN1CC[C@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494192 324206947 /nfs/dbraw/zinc/20/69/47/324206947.db2.gz GPACXNCDOVQPQY-HIFRSBDPSA-N 1 1 291.351 1.238 20 5 CDBDMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143464 324376751 /nfs/dbraw/zinc/37/67/51/324376751.db2.gz XIKYARVMXARTEY-VXGBXAGGSA-N 1 1 291.351 1.766 20 5 CDBDMO O=C1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030338 1161998126 /nfs/dbraw/zinc/99/81/26/1161998126.db2.gz YWXRIJXKUVCSCI-TZMCWYRMSA-N 1 1 295.383 1.519 20 5 CDBDMO O=C1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030338 1161998129 /nfs/dbraw/zinc/99/81/29/1161998129.db2.gz YWXRIJXKUVCSCI-TZMCWYRMSA-N 1 1 295.383 1.519 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)CO ZINC000338596354 522975661 /nfs/dbraw/zinc/97/56/61/522975661.db2.gz HKCUWLRNSXIOSX-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO O=[N+]([O-])c1ccnc(NCC2([NH+]3CCCC3)COC2)c1 ZINC001157651137 1162258819 /nfs/dbraw/zinc/25/88/19/1162258819.db2.gz WDXZDGKJTVOSDU-UHFFFAOYSA-N 1 1 278.312 1.267 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952199 526987699 /nfs/dbraw/zinc/98/76/99/526987699.db2.gz ILZHQVKYLLFVNI-YUTCNCBUSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952199 526987704 /nfs/dbraw/zinc/98/77/04/526987704.db2.gz ILZHQVKYLLFVNI-YUTCNCBUSA-N 1 1 289.335 1.681 20 5 CDBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761077570 576543450 /nfs/dbraw/zinc/54/34/50/576543450.db2.gz MOSSAPBDNVYKPV-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO COCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891574122 617485074 /nfs/dbraw/zinc/48/50/74/617485074.db2.gz KWOTXLDEKRQFEJ-UHFFFAOYSA-N 1 1 270.285 1.387 20 5 CDBDMO COCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891574122 617485077 /nfs/dbraw/zinc/48/50/77/617485077.db2.gz KWOTXLDEKRQFEJ-UHFFFAOYSA-N 1 1 270.285 1.387 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892123470 617492550 /nfs/dbraw/zinc/49/25/50/617492550.db2.gz STKFPIRXYNNNIZ-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000893937854 618198810 /nfs/dbraw/zinc/19/88/10/618198810.db2.gz AYNCUYBVEDYLPM-TVQRCGJNSA-N 1 1 287.323 1.611 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826721994 618608881 /nfs/dbraw/zinc/60/88/81/618608881.db2.gz MITVWISEXCJMCK-NSHDSACASA-N 1 1 271.361 1.280 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CSC3)nc2c1 ZINC000877634050 618698500 /nfs/dbraw/zinc/69/85/00/618698500.db2.gz KNCDXJYKYBCSMC-UHFFFAOYSA-N 1 1 265.294 1.941 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000910296935 629006379 /nfs/dbraw/zinc/00/63/79/629006379.db2.gz SGFHXXYMFBDJSL-SNVBAGLBSA-N 1 1 281.312 1.744 20 5 CDBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929884088 631757729 /nfs/dbraw/zinc/75/77/29/631757729.db2.gz CJNXVDQYIDUQAG-NSHDSACASA-N 1 1 278.312 1.009 20 5 CDBDMO CS[C@H]1CC[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254799 1167420714 /nfs/dbraw/zinc/42/07/14/1167420714.db2.gz GBIWYIHMJSIIQC-UWVGGRQHSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254799 1167420717 /nfs/dbraw/zinc/42/07/17/1167420717.db2.gz GBIWYIHMJSIIQC-UWVGGRQHSA-N 1 1 270.358 1.965 20 5 CDBDMO CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001754980389 1185777340 /nfs/dbraw/zinc/77/73/40/1185777340.db2.gz APIDSYKHNBKLFI-FGTRRKKMSA-N 1 1 295.383 1.636 20 5 CDBDMO NC(=O)c1ccc(C[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880241229 711977918 /nfs/dbraw/zinc/97/79/18/711977918.db2.gz IJENZVDYXATBCU-UHFFFAOYSA-N 1 1 281.287 1.628 20 5 CDBDMO CC1(C)CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000800868603 712122578 /nfs/dbraw/zinc/12/25/78/712122578.db2.gz GKHLDFQSLHECSY-UHFFFAOYSA-N 1 1 294.355 1.070 20 5 CDBDMO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398845 712345496 /nfs/dbraw/zinc/34/54/96/712345496.db2.gz ILRZKRNKTYLOJA-SMDDNHRTSA-N 1 1 291.351 1.909 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000883152634 712397415 /nfs/dbraw/zinc/39/74/15/712397415.db2.gz BSEHZHFRTVFWCC-JTQLQIEISA-N 1 1 296.302 1.950 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556330 712408634 /nfs/dbraw/zinc/40/86/34/712408634.db2.gz NYNSGIFEIAQMOQ-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556330 712408636 /nfs/dbraw/zinc/40/86/36/712408636.db2.gz NYNSGIFEIAQMOQ-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357589 712743884 /nfs/dbraw/zinc/74/38/84/712743884.db2.gz CTTLSFWFMUFDAI-ZKYQVNSYSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCc3[nH+]ccn3CC2)c(Cl)c1 ZINC001167178426 894813471 /nfs/dbraw/zinc/81/34/71/894813471.db2.gz ZMTQQQTXVPXNFB-UHFFFAOYSA-N 1 1 293.714 1.902 20 5 CDBDMO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000106857776 901278947 /nfs/dbraw/zinc/27/89/47/901278947.db2.gz JJIFXUAZHZTUOW-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000106857776 901278959 /nfs/dbraw/zinc/27/89/59/901278959.db2.gz JJIFXUAZHZTUOW-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977163 904533330 /nfs/dbraw/zinc/53/33/30/904533330.db2.gz GXZSOUPYVVGNMK-ZETCQYMHSA-O 1 1 280.270 1.675 20 5 CDBDMO Cc1nc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377973 908140030 /nfs/dbraw/zinc/14/00/30/908140030.db2.gz DZMGECUGUFHOKZ-UHFFFAOYSA-N 1 1 296.327 1.650 20 5 CDBDMO COc1ccc(NC2C[NH+](C(C)C)C2)nc1[N+](=O)[O-] ZINC001168311652 908968106 /nfs/dbraw/zinc/96/81/06/908968106.db2.gz HDFLOJVRZCLACO-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168963854 927586908 /nfs/dbraw/zinc/58/69/08/927586908.db2.gz QIHPEVSJKQIMOZ-RYUDHWBXSA-N 1 1 284.356 1.897 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168988613 927627055 /nfs/dbraw/zinc/62/70/55/927627055.db2.gz SWHPJQFQEIXZRU-WXHSDQCUSA-N 1 1 284.356 1.753 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC([NH+]3CCC(F)CC3)C2)C1 ZINC001169034138 927640626 /nfs/dbraw/zinc/64/06/26/927640626.db2.gz FNHVNNPTTIMSLT-AAEUAGOBSA-N 1 1 285.363 1.550 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cccnc3C2)C1 ZINC001169036133 927643627 /nfs/dbraw/zinc/64/36/27/927643627.db2.gz FMCPCMIGELUMDY-DGCLKSJQSA-N 1 1 261.325 1.885 20 5 CDBDMO CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025868 927667318 /nfs/dbraw/zinc/66/73/18/927667318.db2.gz ZNZDCFASTFRLGW-IPYPFGDCSA-N 1 1 295.383 1.519 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169053907 927671330 /nfs/dbraw/zinc/67/13/30/927671330.db2.gz KFKKIJZEFJABLK-KCQAQPDRSA-N 1 1 291.351 1.980 20 5 CDBDMO COC(C)(C)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586800 927770636 /nfs/dbraw/zinc/77/06/36/927770636.db2.gz PYTMENYZLBVBHJ-CYBMUJFWSA-N 1 1 282.340 1.985 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000854423262 928201896 /nfs/dbraw/zinc/20/18/96/928201896.db2.gz UTFIUYMEQGZRDZ-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000854423262 928201906 /nfs/dbraw/zinc/20/19/06/928201906.db2.gz UTFIUYMEQGZRDZ-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)nc2c1 ZINC000782620727 937256813 /nfs/dbraw/zinc/25/68/13/937256813.db2.gz LROARNJOUZCMGS-OTYXRUKQSA-N 1 1 289.291 1.550 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)nc2c1 ZINC000782620727 937256814 /nfs/dbraw/zinc/25/68/14/937256814.db2.gz LROARNJOUZCMGS-OTYXRUKQSA-N 1 1 289.291 1.550 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492171 930020101 /nfs/dbraw/zinc/02/01/01/930020101.db2.gz PWJXUVQWIBOKJM-BXUZGUMPSA-N 1 1 291.351 1.909 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170897364 930694292 /nfs/dbraw/zinc/69/42/92/930694292.db2.gz FNDYHYHJVJWTQM-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000886183359 930821419 /nfs/dbraw/zinc/82/14/19/930821419.db2.gz BWNBETNDXAPXRA-UHFFFAOYSA-N 1 1 292.339 1.480 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000929747227 933263968 /nfs/dbraw/zinc/26/39/68/933263968.db2.gz BOWGDZQKXXKMRO-ZDUSSCGKSA-N 1 1 252.314 1.627 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000929747227 933263976 /nfs/dbraw/zinc/26/39/76/933263976.db2.gz BOWGDZQKXXKMRO-ZDUSSCGKSA-N 1 1 252.314 1.627 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCn2cc[nH+]c21 ZINC000931519608 933579964 /nfs/dbraw/zinc/57/99/64/933579964.db2.gz FMMSTPCFRAFWSC-UHFFFAOYSA-N 1 1 274.280 1.820 20 5 CDBDMO C[NH2+][C@H]1CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156645576 938400371 /nfs/dbraw/zinc/40/03/71/938400371.db2.gz AHEAXZDMZSTBFK-LLVKDONJSA-N 1 1 259.269 1.294 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157259876 938470439 /nfs/dbraw/zinc/47/04/39/938470439.db2.gz GQOAMDGACZCCCQ-WCQYABFASA-N 1 1 276.340 1.829 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157270877 938473541 /nfs/dbraw/zinc/47/35/41/938473541.db2.gz GMGTXMJVSDVRJC-WCQYABFASA-N 1 1 292.339 1.067 20 5 CDBDMO COc1cc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158494628 938630004 /nfs/dbraw/zinc/63/00/04/938630004.db2.gz MYPQNDSSHKWNMP-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159786462 938752946 /nfs/dbraw/zinc/75/29/46/938752946.db2.gz BBYSMGOIHHPEAC-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO O=[N+]([O-])c1ccnc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC001160719057 938817954 /nfs/dbraw/zinc/81/79/54/938817954.db2.gz BTZXMEYAKRPBDL-CHWSQXEVSA-N 1 1 292.339 1.655 20 5 CDBDMO [NH3+]CCc1cn(-c2cccc([N+](=O)[O-])n2)c2ccncc12 ZINC001160946035 938847633 /nfs/dbraw/zinc/84/76/33/938847633.db2.gz SNWVDGKEDDCAEK-UHFFFAOYSA-N 1 1 283.291 1.830 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1nn(C)cc1[N+](=O)[O-] ZINC001162631384 939105926 /nfs/dbraw/zinc/10/59/26/939105926.db2.gz GCODBBFQNCWSEA-LLVKDONJSA-N 1 1 281.360 1.639 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163923983 939353859 /nfs/dbraw/zinc/35/38/59/939353859.db2.gz OBVFPUXMRBFMBT-UHFFFAOYSA-N 1 1 286.295 1.860 20 5 CDBDMO [NH3+][C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CCC1(F)F ZINC001164324275 939456526 /nfs/dbraw/zinc/45/65/26/939456526.db2.gz SAELKHXZVLURTI-SECBINFHSA-N 1 1 297.265 1.644 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000401537206 940870859 /nfs/dbraw/zinc/87/08/59/940870859.db2.gz KZGPNMOCZJZCCU-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000401537206 940870861 /nfs/dbraw/zinc/87/08/61/940870861.db2.gz KZGPNMOCZJZCCU-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225386098 941851685 /nfs/dbraw/zinc/85/16/85/941851685.db2.gz XGNAMBYCKJAROK-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225591981 941885545 /nfs/dbraw/zinc/88/55/45/941885545.db2.gz AEDVZQOZKOAHBC-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001225630828 941891498 /nfs/dbraw/zinc/89/14/98/941891498.db2.gz GQPYWTIVEUJSPR-WCQGTBRESA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001225630828 941891500 /nfs/dbraw/zinc/89/15/00/941891500.db2.gz GQPYWTIVEUJSPR-WCQGTBRESA-N 1 1 277.280 1.173 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634314 941892563 /nfs/dbraw/zinc/89/25/63/941892563.db2.gz URNAFWYBRZYPMU-NSHDSACASA-N 1 1 251.286 1.851 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@H+](C)C1 ZINC001226760562 942064635 /nfs/dbraw/zinc/06/46/35/942064635.db2.gz BNVXCSGPRTVKKM-NSHDSACASA-N 1 1 251.286 1.771 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227334580 942166562 /nfs/dbraw/zinc/16/65/62/942166562.db2.gz LMXBBZPCARVVRR-QMMMGPOBSA-N 1 1 286.719 1.820 20 5 CDBDMO CC(C)[NH+]1CC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230580 942591811 /nfs/dbraw/zinc/59/18/11/942591811.db2.gz VQTWIPUNDKZUFR-UHFFFAOYSA-N 1 1 277.284 1.338 20 5 CDBDMO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001262705731 943676558 /nfs/dbraw/zinc/67/65/58/943676558.db2.gz QYFUJPZPVZTXDV-GWCFXTLKSA-N 1 1 296.346 1.780 20 5 CDBDMO C[C@@H](C(=O)NOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001261740832 946257151 /nfs/dbraw/zinc/25/71/51/946257151.db2.gz RIKCKOCIXFXUPP-SNVBAGLBSA-N 1 1 281.312 1.308 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](CO)C1)C2 ZINC001254599482 947551294 /nfs/dbraw/zinc/55/12/94/947551294.db2.gz MDFOAGWGJQMGRG-IINYFYTJSA-N 1 1 262.309 1.376 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605703 947553284 /nfs/dbraw/zinc/55/32/84/947553284.db2.gz CTCWWMNHEJZHKE-HNNXBMFYSA-N 1 1 284.319 1.984 20 5 CDBDMO N[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603434 948337898 /nfs/dbraw/zinc/33/78/98/948337898.db2.gz YLJFOWHDSBKELK-OPRDCNLKSA-N 1 1 263.288 1.100 20 5 CDBDMO C[C@H](C(=O)NOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001328309314 955260347 /nfs/dbraw/zinc/26/03/47/955260347.db2.gz LANBWRPUICMTCR-VIFPVBQESA-N 1 1 299.302 1.447 20 5 CDBDMO Cc1[nH]ncc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001308390054 956523265 /nfs/dbraw/zinc/52/32/65/956523265.db2.gz KTRMXMMDOCTPHI-UHFFFAOYSA-N 1 1 260.297 1.959 20 5 CDBDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001337788141 961420713 /nfs/dbraw/zinc/42/07/13/961420713.db2.gz MQMBRUJAAAULMS-RKDXNWHRSA-N 1 1 265.317 1.467 20 5 CDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001339340227 962314202 /nfs/dbraw/zinc/31/42/02/962314202.db2.gz ORGHTWIWUYDILG-GHMZBOCLSA-N 1 1 296.375 1.166 20 5 CDBDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC001339611630 962452943 /nfs/dbraw/zinc/45/29/43/962452943.db2.gz ZTBLBAJKSDZFRV-BDAKNGLRSA-N 1 1 277.328 1.609 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353085471 967679224 /nfs/dbraw/zinc/67/92/24/967679224.db2.gz JHKFMQBIFHXJRY-NSHDSACASA-N 1 1 278.312 1.098 20 5 CDBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001517936938 970001815 /nfs/dbraw/zinc/00/18/15/970001815.db2.gz OUNWJPMXVPULGO-LLVKDONJSA-N 1 1 292.339 1.976 20 5 CDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909286 1163756794 /nfs/dbraw/zinc/75/67/94/1163756794.db2.gz VZYDRVPTBYYYOF-BXUZGUMPSA-N 1 1 282.340 1.985 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590577917 342577332 /nfs/dbraw/zinc/57/73/32/342577332.db2.gz JKOKIQHPNSFTSI-LLVKDONJSA-N 1 1 293.371 1.740 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075328 342089900 /nfs/dbraw/zinc/08/99/00/342089900.db2.gz NNDKCTHVZFJTPD-UHFFFAOYSA-N 1 1 294.359 1.108 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200903 342095749 /nfs/dbraw/zinc/09/57/49/342095749.db2.gz CMVDZJIGADWQKI-CMPLNLGQSA-N 1 1 277.324 1.724 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281611 342624107 /nfs/dbraw/zinc/62/41/07/342624107.db2.gz FFLRYFGDXQLFRM-UARNIUSMSA-N 1 1 279.315 1.898 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592827786 342730327 /nfs/dbraw/zinc/73/03/27/342730327.db2.gz YHTSMIOJKLILSM-MWLCHTKSSA-N 1 1 292.339 1.915 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593107954 342769008 /nfs/dbraw/zinc/76/90/08/342769008.db2.gz RQSVTOXGEULDER-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000609382501 342263622 /nfs/dbraw/zinc/26/36/22/342263622.db2.gz BULIUTQMKXLKBW-GFCCVEGCSA-N 1 1 289.335 1.809 20 5 CDBDMO Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074748744 342303782 /nfs/dbraw/zinc/30/37/82/342303782.db2.gz QELYCJNYXWGCFD-GFCCVEGCSA-N 1 1 293.371 1.346 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000595325019 343036192 /nfs/dbraw/zinc/03/61/92/343036192.db2.gz FHCTVOHNTLAJNO-DTORHVGOSA-N 1 1 251.286 1.979 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595405558 343050105 /nfs/dbraw/zinc/05/01/05/343050105.db2.gz YCIJUFCELBXYML-ZJUUUORDSA-N 1 1 282.344 1.806 20 5 CDBDMO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595429142 343057884 /nfs/dbraw/zinc/05/78/84/343057884.db2.gz MADMHCMRJPUSCK-SFYZADRCSA-N 1 1 285.300 1.569 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595472580 343073327 /nfs/dbraw/zinc/07/33/27/343073327.db2.gz NHWSWWUCXHUUKS-PSASIEDQSA-N 1 1 269.301 1.891 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595472580 343073329 /nfs/dbraw/zinc/07/33/29/343073329.db2.gz NHWSWWUCXHUUKS-PSASIEDQSA-N 1 1 269.301 1.891 20 5 CDBDMO Cc1noc(C[N@H+](CC(C)(C)O)C2CC2)c1[N+](=O)[O-] ZINC000595444592 343063142 /nfs/dbraw/zinc/06/31/42/343063142.db2.gz BVEWPUPXDXCPLV-UHFFFAOYSA-N 1 1 269.301 1.627 20 5 CDBDMO Cc1noc(C[N@@H+](CC(C)(C)O)C2CC2)c1[N+](=O)[O-] ZINC000595444592 343063143 /nfs/dbraw/zinc/06/31/43/343063143.db2.gz BVEWPUPXDXCPLV-UHFFFAOYSA-N 1 1 269.301 1.627 20 5 CDBDMO COCCC[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595451139 343065965 /nfs/dbraw/zinc/06/59/65/343065965.db2.gz RYUUXBYCUBKJJM-UHFFFAOYSA-N 1 1 286.303 1.565 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCCC[C@@H]1C ZINC000076744867 342324677 /nfs/dbraw/zinc/32/46/77/342324677.db2.gz LUGOMAJAPDISMB-UWVGGRQHSA-N 1 1 294.359 1.642 20 5 CDBDMO CO[C@@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595541066 343093451 /nfs/dbraw/zinc/09/34/51/343093451.db2.gz QSPUBJSOEMXURD-WDEREUQCSA-N 1 1 281.312 1.938 20 5 CDBDMO CC[C@@H](C)[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593191 343095819 /nfs/dbraw/zinc/09/58/19/343095819.db2.gz OOAZGUKTMQJAKO-PWSUYJOCSA-N 1 1 270.333 1.273 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595769049 343146471 /nfs/dbraw/zinc/14/64/71/343146471.db2.gz IVHNOVIDECDNOA-ZWNOBZJWSA-N 1 1 250.298 1.940 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595773932 343148300 /nfs/dbraw/zinc/14/83/00/343148300.db2.gz XVKBXOBLODKDLG-ZWNOBZJWSA-N 1 1 280.324 1.949 20 5 CDBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000078595341 342338685 /nfs/dbraw/zinc/33/86/85/342338685.db2.gz YPXWUOWDCNVSFE-UHFFFAOYSA-N 1 1 299.352 1.108 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600964439 342351156 /nfs/dbraw/zinc/35/11/56/342351156.db2.gz ABICACSHYREPRL-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO CC1(C)COCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596112296 343230326 /nfs/dbraw/zinc/23/03/26/343230326.db2.gz MMBMUTQBDIHHBC-UHFFFAOYSA-N 1 1 296.327 1.218 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596181713 343250301 /nfs/dbraw/zinc/25/03/01/343250301.db2.gz DSHFOPFLIJGQJY-VHSXEESVSA-N 1 1 292.339 1.223 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)nc1 ZINC000596246397 343286272 /nfs/dbraw/zinc/28/62/72/343286272.db2.gz DJRIDFOACHNFCB-CYBMUJFWSA-N 1 1 292.339 1.291 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295061674 199325305 /nfs/dbraw/zinc/32/53/05/199325305.db2.gz GPNWBFUHDQNIRC-LBPRGKRZSA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646664 343856458 /nfs/dbraw/zinc/85/64/58/343856458.db2.gz WINVFKOECNRMSJ-CHWSQXEVSA-N 1 1 294.351 1.924 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000602801041 344590542 /nfs/dbraw/zinc/59/05/42/344590542.db2.gz KYWIETFDBOOZEU-LBPRGKRZSA-N 1 1 282.344 1.457 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000602801041 344590543 /nfs/dbraw/zinc/59/05/43/344590543.db2.gz KYWIETFDBOOZEU-LBPRGKRZSA-N 1 1 282.344 1.457 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000602778642 344593998 /nfs/dbraw/zinc/59/39/98/344593998.db2.gz MSOFMKSXSXDTGF-NXEZZACHSA-N 1 1 252.318 1.830 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000602795315 344586652 /nfs/dbraw/zinc/58/66/52/344586652.db2.gz AIBMAMAPOXRDCQ-QWRGUYRKSA-N 1 1 281.360 1.124 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000602914147 344647450 /nfs/dbraw/zinc/64/74/50/344647450.db2.gz RUFIPKOTGPJKOE-ZYHUDNBSSA-N 1 1 282.344 1.050 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000049460909 344712778 /nfs/dbraw/zinc/71/27/78/344712778.db2.gz CSGPHTUWBGHORR-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO CCNC(=O)C[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000051471869 345160647 /nfs/dbraw/zinc/16/06/47/345160647.db2.gz IRUUDNSWKIDPJY-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000051471869 345160649 /nfs/dbraw/zinc/16/06/49/345160649.db2.gz IRUUDNSWKIDPJY-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000610484817 346289453 /nfs/dbraw/zinc/28/94/53/346289453.db2.gz XZGBJIGJDHEWAW-UHFFFAOYSA-N 1 1 282.344 1.682 20 5 CDBDMO Cc1cn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000611164970 346626348 /nfs/dbraw/zinc/62/63/48/346626348.db2.gz DEKNETAEENXCQC-UHFFFAOYSA-N 1 1 274.280 1.555 20 5 CDBDMO Nc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642362 350702328 /nfs/dbraw/zinc/70/23/28/350702328.db2.gz LECCVPZCYZSUPS-QMMMGPOBSA-N 1 1 263.301 1.221 20 5 CDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157353003 188312137 /nfs/dbraw/zinc/31/21/37/188312137.db2.gz SEDKJXATUORXIC-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000411921644 363381092 /nfs/dbraw/zinc/38/10/92/363381092.db2.gz KBUXZRJGXCSVAW-STQMWFEESA-N 1 1 296.323 1.055 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271880692 191386485 /nfs/dbraw/zinc/38/64/85/191386485.db2.gz BZKPYDULVXUQNX-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO CCCCC[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176245192 366296807 /nfs/dbraw/zinc/29/68/07/366296807.db2.gz AXGQNQAHDPDOAU-UHFFFAOYSA-N 1 1 270.333 1.276 20 5 CDBDMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCC[C@H](C)C1 ZINC000048559874 356905677 /nfs/dbraw/zinc/90/56/77/356905677.db2.gz BEGCHLDNZJIGMX-QWRGUYRKSA-N 1 1 281.360 1.861 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067112 357802284 /nfs/dbraw/zinc/80/22/84/357802284.db2.gz AVYDIAQGSGRFCO-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067112 357802288 /nfs/dbraw/zinc/80/22/88/357802288.db2.gz AVYDIAQGSGRFCO-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714466 357890505 /nfs/dbraw/zinc/89/05/05/357890505.db2.gz TZEAUPOIVCSQKM-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714466 357890509 /nfs/dbraw/zinc/89/05/09/357890509.db2.gz TZEAUPOIVCSQKM-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264684407 358054807 /nfs/dbraw/zinc/05/48/07/358054807.db2.gz XUGBRDFSCPHRCV-UHFFFAOYSA-N 1 1 265.313 1.745 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287083719 358094614 /nfs/dbraw/zinc/09/46/14/358094614.db2.gz VPPIKWCQSREDGW-AWEZNQCLSA-N 1 1 298.314 1.770 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000287083719 358094616 /nfs/dbraw/zinc/09/46/16/358094616.db2.gz VPPIKWCQSREDGW-AWEZNQCLSA-N 1 1 298.314 1.770 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])s1 ZINC000192456290 358203993 /nfs/dbraw/zinc/20/39/93/358203993.db2.gz LIZLSZOIIUNHKJ-VIFPVBQESA-N 1 1 270.358 1.829 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)O ZINC000361506803 358244751 /nfs/dbraw/zinc/24/47/51/358244751.db2.gz NBUZSIQGBXRGFE-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1(C)C ZINC000559255953 358246333 /nfs/dbraw/zinc/24/63/33/358246333.db2.gz AWZRALVXVPGLFS-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1(C)C ZINC000559255953 358246334 /nfs/dbraw/zinc/24/63/34/358246334.db2.gz AWZRALVXVPGLFS-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657690 358403264 /nfs/dbraw/zinc/40/32/64/358403264.db2.gz WKXFYQXIEZIHDL-AAEUAGOBSA-N 1 1 264.325 1.963 20 5 CDBDMO COCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332665390 358879825 /nfs/dbraw/zinc/87/98/25/358879825.db2.gz CUEBLEYIVQQYBG-UHFFFAOYSA-N 1 1 265.313 1.775 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351756689 358961302 /nfs/dbraw/zinc/96/13/02/358961302.db2.gz LLQLJMKJVBVCJF-GXFFZTMASA-N 1 1 250.298 1.450 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000159406939 359070339 /nfs/dbraw/zinc/07/03/39/359070339.db2.gz LPAUCAJUUVMWHK-GWCFXTLKSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)N(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338356023 359118463 /nfs/dbraw/zinc/11/84/63/359118463.db2.gz MCTCMVLXWAOPLN-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO CC(C)N(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338356023 359118468 /nfs/dbraw/zinc/11/84/68/359118468.db2.gz MCTCMVLXWAOPLN-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000119976611 359052453 /nfs/dbraw/zinc/05/24/53/359052453.db2.gz YKQGIDZNLXTLFS-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO COC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000047916429 359179763 /nfs/dbraw/zinc/17/97/63/359179763.db2.gz MAVLNKFZJDQONX-UHFFFAOYSA-N 1 1 278.308 1.980 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832574 359465094 /nfs/dbraw/zinc/46/50/94/359465094.db2.gz YHCUMEYXPIAGQA-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CO ZINC000050114056 359572557 /nfs/dbraw/zinc/57/25/57/359572557.db2.gz QDNJOTXTKREQBI-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CO ZINC000050114056 359572560 /nfs/dbraw/zinc/57/25/60/359572560.db2.gz QDNJOTXTKREQBI-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO Cc1c(C[N@H+](C)CC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000162252101 237224431 /nfs/dbraw/zinc/22/44/31/237224431.db2.gz MDZZJWMNVSKEHH-UHFFFAOYSA-N 1 1 294.351 1.877 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000385768656 359931272 /nfs/dbraw/zinc/93/12/72/359931272.db2.gz ALLYZYYENSBBCC-JQWIXIFHSA-N 1 1 280.324 1.806 20 5 CDBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747698 360360025 /nfs/dbraw/zinc/36/00/25/360360025.db2.gz FKNWMUAMVGUMCR-OCCSQVGLSA-N 1 1 296.371 1.664 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000178144540 189092996 /nfs/dbraw/zinc/09/29/96/189092996.db2.gz MAYARXRHHYSQQD-UHFFFAOYSA-N 1 1 292.339 1.263 20 5 CDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086101 189168055 /nfs/dbraw/zinc/16/80/55/189168055.db2.gz RFCVOWRCFNWOBR-KYOSRNDESA-N 1 1 294.351 1.864 20 5 CDBDMO CC(=O)N1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179811704 189221621 /nfs/dbraw/zinc/22/16/21/189221621.db2.gz WWPQCPIEMRSYSP-UHFFFAOYSA-N 1 1 291.351 1.957 20 5 CDBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179811704 189221622 /nfs/dbraw/zinc/22/16/22/189221622.db2.gz WWPQCPIEMRSYSP-UHFFFAOYSA-N 1 1 291.351 1.957 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000267715390 361353177 /nfs/dbraw/zinc/35/31/77/361353177.db2.gz XHYLLVAXSPXSGT-ZDUSSCGKSA-N 1 1 250.298 1.858 20 5 CDBDMO Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860402 361493045 /nfs/dbraw/zinc/49/30/45/361493045.db2.gz CZRSWTJRLCMYHY-JQWIXIFHSA-N 1 1 277.328 1.224 20 5 CDBDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730615 364266746 /nfs/dbraw/zinc/26/67/46/364266746.db2.gz VOXUTRXXPWXPKW-CQSZACIVSA-N 1 1 298.387 1.910 20 5 CDBDMO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000174866374 364585476 /nfs/dbraw/zinc/58/54/76/364585476.db2.gz LVIKARMRJNNNTH-UHFFFAOYSA-N 1 1 281.341 1.773 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294134 364625504 /nfs/dbraw/zinc/62/55/04/364625504.db2.gz ZXTAGFUTIVEWGF-KCJUWKMLSA-N 1 1 278.312 1.135 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561563 364890601 /nfs/dbraw/zinc/89/06/01/364890601.db2.gz LTADVVNXZNBPPC-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000546104744 365209637 /nfs/dbraw/zinc/20/96/37/365209637.db2.gz NWXUVNQCIPTIPY-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944246 366948467 /nfs/dbraw/zinc/94/84/67/366948467.db2.gz RXUNTRXKNSYZPN-LERXQTSPSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153110805 367034104 /nfs/dbraw/zinc/03/41/04/367034104.db2.gz CAGUAGIWJUUNKK-CHWSQXEVSA-N 1 1 277.324 1.422 20 5 CDBDMO Cn1ccnc1[C@@H]([NH2+]CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272471526 367739444 /nfs/dbraw/zinc/73/94/44/367739444.db2.gz ALJIJIJOJPTPJM-ZDUSSCGKSA-N 1 1 290.323 1.390 20 5 CDBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000037562727 369080417 /nfs/dbraw/zinc/08/04/17/369080417.db2.gz WPFNPFFVWRJOOR-SSDOTTSWSA-N 1 1 257.315 1.223 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330894471 203363098 /nfs/dbraw/zinc/36/30/98/203363098.db2.gz FISFNFVPXZSOEA-WCQYABFASA-N 1 1 291.351 1.736 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](C2CC2)C2COC2)cc1 ZINC000295383770 370098674 /nfs/dbraw/zinc/09/86/74/370098674.db2.gz KRZGTPPZLXNFBE-UHFFFAOYSA-N 1 1 278.308 1.837 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+](C2CC2)C2COC2)cc1 ZINC000295383770 370098681 /nfs/dbraw/zinc/09/86/81/370098681.db2.gz KRZGTPPZLXNFBE-UHFFFAOYSA-N 1 1 278.308 1.837 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000441376584 370220664 /nfs/dbraw/zinc/22/06/64/370220664.db2.gz DRJWTHBKUVYBAD-NOZJJQNGSA-N 1 1 293.323 1.218 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349339 370282536 /nfs/dbraw/zinc/28/25/36/370282536.db2.gz LYFMVTZZJFZEBI-UHFFFAOYSA-N 1 1 251.286 1.163 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000295665286 370558506 /nfs/dbraw/zinc/55/85/06/370558506.db2.gz ITBPJGOSCFVBIW-VIFPVBQESA-N 1 1 265.317 1.224 20 5 CDBDMO C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414926430 371107082 /nfs/dbraw/zinc/10/70/82/371107082.db2.gz KNIXSEGTYGEBOJ-GHMZBOCLSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[N@@H+](CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139651 372452038 /nfs/dbraw/zinc/45/20/38/372452038.db2.gz SBSARHAFWNNYGO-ZDUSSCGKSA-N 1 1 298.339 1.303 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190984481 373431020 /nfs/dbraw/zinc/43/10/20/373431020.db2.gz HVIGSTQSFLCPNN-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000298716383 374075140 /nfs/dbraw/zinc/07/51/40/374075140.db2.gz IZAWNLVTCPYILM-LLVKDONJSA-N 1 1 296.323 1.715 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473656 374382847 /nfs/dbraw/zinc/38/28/47/374382847.db2.gz HKWUGOMNAGNCHL-OCCSQVGLSA-N 1 1 292.383 1.457 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C3CCOCC3)C2)n1 ZINC000371076018 374406973 /nfs/dbraw/zinc/40/69/73/374406973.db2.gz STPRSCXIDVGVKR-CYBMUJFWSA-N 1 1 294.355 1.540 20 5 CDBDMO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154771934 374748709 /nfs/dbraw/zinc/74/87/09/374748709.db2.gz QCBJMLALCMLGGL-JOYOIKCWSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154771934 374748718 /nfs/dbraw/zinc/74/87/18/374748718.db2.gz QCBJMLALCMLGGL-JOYOIKCWSA-N 1 1 283.303 1.865 20 5 CDBDMO Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783138 374751605 /nfs/dbraw/zinc/75/16/05/374751605.db2.gz FIMWFCLBMUNHDO-PWSUYJOCSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783138 374751606 /nfs/dbraw/zinc/75/16/06/374751606.db2.gz FIMWFCLBMUNHDO-PWSUYJOCSA-N 1 1 280.328 1.429 20 5 CDBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330942197 374874569 /nfs/dbraw/zinc/87/45/69/374874569.db2.gz GFASDCALPSCLGJ-NQBHXWOUSA-N 1 1 282.344 1.273 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000279771006 374957402 /nfs/dbraw/zinc/95/74/02/374957402.db2.gz BPISEEKSPCHKPA-UHFFFAOYSA-N 1 1 275.308 1.587 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)[N@H+]1C ZINC000293850748 375136352 /nfs/dbraw/zinc/13/63/52/375136352.db2.gz AKWJZSCDEPTKBC-DTORHVGOSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)[N@@H+]1C ZINC000293850748 375136359 /nfs/dbraw/zinc/13/63/59/375136359.db2.gz AKWJZSCDEPTKBC-DTORHVGOSA-N 1 1 266.301 1.088 20 5 CDBDMO Cc1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000225648015 375175744 /nfs/dbraw/zinc/17/57/44/375175744.db2.gz GWSCLACZGCFDFG-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000048335442 375296004 /nfs/dbraw/zinc/29/60/04/375296004.db2.gz KQANBMNJECXFOH-JTQLQIEISA-N 1 1 266.297 1.836 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000351957610 375344019 /nfs/dbraw/zinc/34/40/19/375344019.db2.gz HEEDIWVGQZBNMH-NOZJJQNGSA-N 1 1 294.307 1.274 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000351957610 375344023 /nfs/dbraw/zinc/34/40/23/375344023.db2.gz HEEDIWVGQZBNMH-NOZJJQNGSA-N 1 1 294.307 1.274 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(N)=O ZINC000133189225 375716621 /nfs/dbraw/zinc/71/66/21/375716621.db2.gz GYIHAJISTMQCPH-CYBMUJFWSA-N 1 1 281.312 1.347 20 5 CDBDMO C[C@@H]1[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357075146 375881569 /nfs/dbraw/zinc/88/15/69/375881569.db2.gz VIXIHUIUWQKDOO-OLZOCXBDSA-N 1 1 293.367 1.998 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000067419364 377063384 /nfs/dbraw/zinc/06/33/84/377063384.db2.gz ZTUCQNGWWDJOKP-ZDUSSCGKSA-N 1 1 291.351 1.943 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903718 390186398 /nfs/dbraw/zinc/18/63/98/390186398.db2.gz ZWCGUHVTOHAMOK-LLVKDONJSA-N 1 1 268.313 1.940 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433022019 390494963 /nfs/dbraw/zinc/49/49/63/390494963.db2.gz SRDDGCXWDPTRLW-LLVKDONJSA-N 1 1 280.328 1.208 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000451537907 390630867 /nfs/dbraw/zinc/63/08/67/390630867.db2.gz IWTJGPCRFKZKJY-NWDGAFQWSA-N 1 1 282.344 1.538 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000268062231 391271663 /nfs/dbraw/zinc/27/16/63/391271663.db2.gz ZCVDSTCJSNKHTO-STQMWFEESA-N 1 1 293.367 1.795 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355789710 391302281 /nfs/dbraw/zinc/30/22/81/391302281.db2.gz QUSYSMCOAHPPGK-NSHDSACASA-N 1 1 281.360 1.244 20 5 CDBDMO COCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504400 391398968 /nfs/dbraw/zinc/39/89/68/391398968.db2.gz WOPFDIWIJGCHMI-LLVKDONJSA-N 1 1 280.328 1.513 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000343611635 391636009 /nfs/dbraw/zinc/63/60/09/391636009.db2.gz KXLGJQDOEZDFBU-KGLIPLIRSA-N 1 1 289.335 1.614 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354090410 391913230 /nfs/dbraw/zinc/91/32/30/391913230.db2.gz CMXAAVADZSNCKE-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929256 131118922 /nfs/dbraw/zinc/11/89/22/131118922.db2.gz MDHFIZDETZNMER-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263976418 131372227 /nfs/dbraw/zinc/37/22/27/131372227.db2.gz YHZGZTSJULEWLI-JTQLQIEISA-N 1 1 294.359 1.499 20 5 CDBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000442972407 392512516 /nfs/dbraw/zinc/51/25/16/392512516.db2.gz ZRWJUBCEBSNAGU-DYLGSBMWSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775255 392919123 /nfs/dbraw/zinc/91/91/23/392919123.db2.gz ANFAZBDCYJMSEP-VIFPVBQESA-N 1 1 267.285 1.259 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282043015 393170358 /nfs/dbraw/zinc/17/03/58/393170358.db2.gz XKJIGWNBHUSNAI-UHFFFAOYSA-N 1 1 256.331 1.583 20 5 CDBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342135 147082989 /nfs/dbraw/zinc/08/29/89/147082989.db2.gz UVCPZJGTJQGMGS-FZMZJTMJSA-N 1 1 263.341 1.806 20 5 CDBDMO CO[C@@H](C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339065 148255524 /nfs/dbraw/zinc/25/55/24/148255524.db2.gz LACBIKVMHQCCDF-QWRGUYRKSA-N 1 1 280.328 1.511 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@@H]1O ZINC000352697333 155372504 /nfs/dbraw/zinc/37/25/04/155372504.db2.gz KYLULUTZOZMWOK-OLZOCXBDSA-N 1 1 290.323 1.816 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185973 155005441 /nfs/dbraw/zinc/00/54/41/155005441.db2.gz HVRHDIIYMUVTLG-GHMZBOCLSA-N 1 1 295.339 1.625 20 5 CDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000352233861 155047246 /nfs/dbraw/zinc/04/72/46/155047246.db2.gz GDDKSCJXEVGFHK-NSHDSACASA-N 1 1 293.323 1.502 20 5 CDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000352233861 155047249 /nfs/dbraw/zinc/04/72/49/155047249.db2.gz GDDKSCJXEVGFHK-NSHDSACASA-N 1 1 293.323 1.502 20 5 CDBDMO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000354006624 156220329 /nfs/dbraw/zinc/22/03/29/156220329.db2.gz MNKXTVYHPABRHI-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000354006624 156220332 /nfs/dbraw/zinc/22/03/32/156220332.db2.gz MNKXTVYHPABRHI-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000362083890 159065611 /nfs/dbraw/zinc/06/56/11/159065611.db2.gz BVGWHCLFODJPOA-RYUDHWBXSA-N 1 1 280.324 1.534 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC1CC1 ZINC000285230973 196227578 /nfs/dbraw/zinc/22/75/78/196227578.db2.gz FXSDYYQTHNVJNG-UHFFFAOYSA-N 1 1 291.351 1.595 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC1CC1 ZINC000285230973 196227579 /nfs/dbraw/zinc/22/75/79/196227579.db2.gz FXSDYYQTHNVJNG-UHFFFAOYSA-N 1 1 291.351 1.595 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285395728 196271340 /nfs/dbraw/zinc/27/13/40/196271340.db2.gz SUXIGRHLRMSTTR-CYBMUJFWSA-N 1 1 277.324 1.300 20 5 CDBDMO COc1ccc(C[N@@H+](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000071897029 176292241 /nfs/dbraw/zinc/29/22/41/176292241.db2.gz WFIRCOAZTWPCFR-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727933 177377359 /nfs/dbraw/zinc/37/73/59/177377359.db2.gz SMJFPJHBGOQQRI-LBPRGKRZSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278296929 276133550 /nfs/dbraw/zinc/13/35/50/276133550.db2.gz VKKLYVNAXOUXTI-UHFFFAOYSA-N 1 1 283.284 1.971 20 5 CDBDMO CC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278296929 276133553 /nfs/dbraw/zinc/13/35/53/276133553.db2.gz VKKLYVNAXOUXTI-UHFFFAOYSA-N 1 1 283.284 1.971 20 5 CDBDMO C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+](C)C ZINC000284110659 279348192 /nfs/dbraw/zinc/34/81/92/279348192.db2.gz NGPJAJIMEUDAOR-ZJUUUORDSA-N 1 1 266.345 1.778 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480251 280110236 /nfs/dbraw/zinc/11/02/36/280110236.db2.gz DYYHLOKMVPTBDN-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480251 280110237 /nfs/dbraw/zinc/11/02/37/280110237.db2.gz DYYHLOKMVPTBDN-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743426 280301870 /nfs/dbraw/zinc/30/18/70/280301870.db2.gz OIPHJRQRNDDVMZ-DGCLKSJQSA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1c(C[N@H+](C[C@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957632 280397782 /nfs/dbraw/zinc/39/77/82/280397782.db2.gz QKVWHAPTJBNZSI-MNOVXSKESA-N 1 1 282.340 1.467 20 5 CDBDMO Cc1cccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000290907317 281228698 /nfs/dbraw/zinc/22/86/98/281228698.db2.gz GELWOWRBTJTCAV-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000532588207 282002316 /nfs/dbraw/zinc/00/23/16/282002316.db2.gz DTFKCNNXMJIXQJ-UHFFFAOYSA-N 1 1 293.323 1.305 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533036113 282077939 /nfs/dbraw/zinc/07/79/39/282077939.db2.gz AMCBSAPTYJATKD-CYBMUJFWSA-N 1 1 282.344 1.273 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912123 316140772 /nfs/dbraw/zinc/14/07/72/316140772.db2.gz JKBVGYMWEMOELW-VIFPVBQESA-N 1 1 289.295 1.646 20 5 CDBDMO CC(C)Oc1nc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000583822927 325249799 /nfs/dbraw/zinc/24/97/99/325249799.db2.gz CGXWDJHRIWQANG-UHFFFAOYSA-N 1 1 296.371 1.951 20 5 CDBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650096 1159099821 /nfs/dbraw/zinc/09/98/21/1159099821.db2.gz GOMJSJPIPYRBNA-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227650096 1159099830 /nfs/dbraw/zinc/09/98/30/1159099830.db2.gz GOMJSJPIPYRBNA-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236113 533767028 /nfs/dbraw/zinc/76/70/28/533767028.db2.gz XHEGUUQJKPEKTA-GHMZBOCLSA-N 1 1 268.317 1.027 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000790452570 1162153852 /nfs/dbraw/zinc/15/38/52/1162153852.db2.gz QXIFYILETMBJJI-CHWSQXEVSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806818 525277393 /nfs/dbraw/zinc/27/73/93/525277393.db2.gz QTUJZPODLLLJSM-ZDUSSCGKSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000068806818 525277407 /nfs/dbraw/zinc/27/74/07/525277407.db2.gz QTUJZPODLLLJSM-ZDUSSCGKSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000068806818 525277414 /nfs/dbraw/zinc/27/74/14/525277414.db2.gz QTUJZPODLLLJSM-ZDUSSCGKSA-N 1 1 278.356 1.561 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247010874 525771979 /nfs/dbraw/zinc/77/19/79/525771979.db2.gz CEAFPOMDMKRMQQ-OLZOCXBDSA-N 1 1 293.367 1.482 20 5 CDBDMO O=C(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])NC1CC1 ZINC000050443467 526882487 /nfs/dbraw/zinc/88/24/87/526882487.db2.gz ORUUMCALOKWZLU-UHFFFAOYSA-N 1 1 283.715 1.616 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000250144212 536182307 /nfs/dbraw/zinc/18/23/07/536182307.db2.gz XQUQXUHNOGWLPB-MNOVXSKESA-N 1 1 293.371 1.929 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729263846 574742642 /nfs/dbraw/zinc/74/26/42/574742642.db2.gz LTDWPICALGYBJY-JTQLQIEISA-N 1 1 275.312 1.606 20 5 CDBDMO Cc1ccc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000754050522 574990571 /nfs/dbraw/zinc/99/05/71/574990571.db2.gz FBHXJFDDDDWQAW-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000749695230 576958370 /nfs/dbraw/zinc/95/83/70/576958370.db2.gz YSVAGRPIBPNONN-RISCZKNCSA-N 1 1 279.340 1.264 20 5 CDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000758484240 577110845 /nfs/dbraw/zinc/11/08/45/577110845.db2.gz CMBMDMXUOCRWIM-LLVKDONJSA-N 1 1 295.314 1.866 20 5 CDBDMO CC[N@H+](CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891585106 617491830 /nfs/dbraw/zinc/49/18/30/617491830.db2.gz XFWAZLBBNRJOSL-UHFFFAOYSA-N 1 1 284.312 1.777 20 5 CDBDMO CC[N@@H+](CCOC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891585106 617491833 /nfs/dbraw/zinc/49/18/33/617491833.db2.gz XFWAZLBBNRJOSL-UHFFFAOYSA-N 1 1 284.312 1.777 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000784219642 617829262 /nfs/dbraw/zinc/82/92/62/617829262.db2.gz HEJSBLHFAWXKRK-QWHCGFSZSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000784219642 617829265 /nfs/dbraw/zinc/82/92/65/617829265.db2.gz HEJSBLHFAWXKRK-QWHCGFSZSA-N 1 1 298.364 1.038 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000893515189 618017684 /nfs/dbraw/zinc/01/76/84/618017684.db2.gz INEFQWJBGFJMAB-NSHDSACASA-N 1 1 279.344 1.757 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000893530935 618042990 /nfs/dbraw/zinc/04/29/90/618042990.db2.gz CVOCADDTFYOHEL-SNVBAGLBSA-N 1 1 290.327 1.446 20 5 CDBDMO Cc1ccnc(N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000894996306 619193254 /nfs/dbraw/zinc/19/32/54/619193254.db2.gz KZMRQNFATLMDTC-VIFPVBQESA-N 1 1 259.269 1.532 20 5 CDBDMO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246681 619491613 /nfs/dbraw/zinc/49/16/13/619491613.db2.gz PBKSSZDKBGQNOW-KOLCDFICSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246681 619491614 /nfs/dbraw/zinc/49/16/14/619491614.db2.gz PBKSSZDKBGQNOW-KOLCDFICSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895328485 619566385 /nfs/dbraw/zinc/56/63/85/619566385.db2.gz GNBIGCOIPBLBQE-OZQCQIJRSA-N 1 1 292.335 1.426 20 5 CDBDMO COc1cc(C[NH2+]CC[N+](=O)[O-])cc(OC)c1OC ZINC000899861250 622487933 /nfs/dbraw/zinc/48/79/33/622487933.db2.gz PVKCHMLULFOXMH-UHFFFAOYSA-N 1 1 270.285 1.079 20 5 CDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000899873984 622500483 /nfs/dbraw/zinc/50/04/83/622500483.db2.gz XAIXMSPGGFDYNE-GXTWGEPZSA-N 1 1 263.341 1.688 20 5 CDBDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000899873984 622500487 /nfs/dbraw/zinc/50/04/87/622500487.db2.gz XAIXMSPGGFDYNE-GXTWGEPZSA-N 1 1 263.341 1.688 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000902614012 625028498 /nfs/dbraw/zinc/02/84/98/625028498.db2.gz VSGMRYLAVYTOQQ-UHFFFAOYSA-N 1 1 286.719 1.808 20 5 CDBDMO CN(C)[C@@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905023259 626389409 /nfs/dbraw/zinc/38/94/09/626389409.db2.gz FAJYZOCMESWXRH-CYBMUJFWSA-N 1 1 251.330 1.026 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000905191670 626669547 /nfs/dbraw/zinc/66/95/47/626669547.db2.gz VMWCWQCEBKFBDO-ZDUSSCGKSA-N 1 1 277.324 1.044 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cccc2c1OCCCO2 ZINC000905176542 626680685 /nfs/dbraw/zinc/68/06/85/626680685.db2.gz LIAZSLAMHHXLFC-UHFFFAOYSA-N 1 1 252.270 1.214 20 5 CDBDMO CC(C)Oc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905263377 626712673 /nfs/dbraw/zinc/71/26/73/626712673.db2.gz VAMIJFDCHCNCFT-OAHLLOKOSA-N 1 1 295.383 1.943 20 5 CDBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239342 631280751 /nfs/dbraw/zinc/28/07/51/631280751.db2.gz BCTHIIRKXGLWSD-GWCFXTLKSA-N 1 1 292.339 1.659 20 5 CDBDMO [NH3+][C@H]1CCc2nn(-c3ccc4[nH]cnc4c3[N+](=O)[O-])cc2C1 ZINC001168821969 1161988760 /nfs/dbraw/zinc/98/87/60/1161988760.db2.gz UMTFJYPVWIAZTE-VIFPVBQESA-N 1 1 298.306 1.473 20 5 CDBDMO NC(=[NH2+])N(c1ccc(F)cc1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001157229890 1162052023 /nfs/dbraw/zinc/05/20/23/1162052023.db2.gz QZYIRXQFRKGHKD-UHFFFAOYSA-N 1 1 290.258 1.743 20 5 CDBDMO O=C(NC/C=C/C[NH2+]Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001754120486 1185473957 /nfs/dbraw/zinc/47/39/57/1185473957.db2.gz XWHBZLCSWRCXTJ-KOABKASLSA-N 1 1 289.335 1.114 20 5 CDBDMO Cc1ccnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164635765 719171102 /nfs/dbraw/zinc/17/11/02/719171102.db2.gz LSBNGKCCAYIVHP-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640908 719214636 /nfs/dbraw/zinc/21/46/36/719214636.db2.gz UDCMXAGPVXAMLG-NXEZZACHSA-N 1 1 289.339 2.000 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001164669456 719370882 /nfs/dbraw/zinc/37/08/82/719370882.db2.gz QCJWQTNJIMEYQX-VHSXEESVSA-N 1 1 298.730 1.162 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154058993 719372045 /nfs/dbraw/zinc/37/20/45/719372045.db2.gz VNSLRFGAIYZINC-QWRGUYRKSA-N 1 1 298.730 1.162 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591975 1164452621 /nfs/dbraw/zinc/45/26/21/1164452621.db2.gz NIEDOYXQYZVSRP-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@H+](CCC1CCOCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000121204291 1164819500 /nfs/dbraw/zinc/81/95/00/1164819500.db2.gz GIJMKDSCJFFWQY-UHFFFAOYSA-N 1 1 268.317 1.497 20 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/nfs/dbraw/zinc/03/82/57/912038257.db2.gz WURFJKGUFHUHFN-ZFWWWQNUSA-N 1 1 293.367 1.489 20 5 CDBDMO CC(C)(CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[N+](=O)[O-] ZINC000830529133 936462650 /nfs/dbraw/zinc/46/26/50/936462650.db2.gz DGRBCEIWBLBSHA-ZDUSSCGKSA-N 1 1 297.399 1.955 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674467 936603187 /nfs/dbraw/zinc/60/31/87/936603187.db2.gz IUIOZIGCIREYMN-QWRGUYRKSA-N 1 1 271.361 1.373 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832811342 936603741 /nfs/dbraw/zinc/60/37/41/936603741.db2.gz SVBJNFLCEPJHAY-CQSZACIVSA-N 1 1 283.372 1.376 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839471830 936912888 /nfs/dbraw/zinc/91/28/88/936912888.db2.gz YAPUEHRWMCDOJW-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839471830 936912891 /nfs/dbraw/zinc/91/28/91/936912891.db2.gz YAPUEHRWMCDOJW-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839471830 936912894 /nfs/dbraw/zinc/91/28/94/936912894.db2.gz YAPUEHRWMCDOJW-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839594574 936916487 /nfs/dbraw/zinc/91/64/87/936916487.db2.gz VTFODIWIVZJFDJ-MGPQQGTHSA-N 1 1 291.351 1.379 20 5 CDBDMO COCCCN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168974663 927599185 /nfs/dbraw/zinc/59/91/85/927599185.db2.gz SAIMQMOZTGZRTQ-ZFWWWQNUSA-N 1 1 299.415 1.522 20 5 CDBDMO CCN1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006012 927609291 /nfs/dbraw/zinc/60/92/91/927609291.db2.gz FDZWYQYUCKQURB-STQMWFEESA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@@H+]1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006012 927609296 /nfs/dbraw/zinc/60/92/96/927609296.db2.gz FDZWYQYUCKQURB-STQMWFEESA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@H+]1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006012 927609302 /nfs/dbraw/zinc/60/93/02/927609302.db2.gz FDZWYQYUCKQURB-STQMWFEESA-N 1 1 255.362 1.459 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011436 927616551 /nfs/dbraw/zinc/61/65/51/927616551.db2.gz KIFKDNOFAONIQB-UTUOFQBUSA-N 1 1 254.330 1.733 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011300 927617417 /nfs/dbraw/zinc/61/74/17/927617417.db2.gz JOOZYANFTGECEY-NOOOWODRSA-N 1 1 260.309 1.227 20 5 CDBDMO CCCO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027014 927631953 /nfs/dbraw/zinc/63/19/53/927631953.db2.gz OSLAGICKGBXCCV-JHJVBQTASA-N 1 1 256.346 1.933 20 5 CDBDMO C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035836 927643794 /nfs/dbraw/zinc/64/37/94/927643794.db2.gz DAKIPXPBZNLSLP-NZEXEKPDSA-N 1 1 254.330 1.399 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035992 927645292 /nfs/dbraw/zinc/64/52/92/927645292.db2.gz DZYZEOSMWPANCU-SRVKXCTJSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3nccn3CC2)C1 ZINC001169036571 927646959 /nfs/dbraw/zinc/64/69/59/927646959.db2.gz GSVSPCTUPHGUSE-NEPJUHHUSA-N 1 1 264.329 1.187 20 5 CDBDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037756 927647786 /nfs/dbraw/zinc/64/77/86/927647786.db2.gz UCEHNNNKKZEMKY-RYUDHWBXSA-N 1 1 256.346 1.933 20 5 CDBDMO CC(C)CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169019090 927660214 /nfs/dbraw/zinc/66/02/14/927660214.db2.gz GUKQVNGHWRKIOA-KBPBESRZSA-N 1 1 269.389 1.705 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC(Oc3cccnc3)C2)C1 ZINC001169025041 927662975 /nfs/dbraw/zinc/66/29/75/927662975.db2.gz IPABVDFTHYQLTD-NWDGAFQWSA-N 1 1 277.324 1.590 20 5 CDBDMO CC[N@H+](C)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049588 927666106 /nfs/dbraw/zinc/66/61/06/927666106.db2.gz WOIIXERJQPHXHI-OCCSQVGLSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+](C)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049588 927666109 /nfs/dbraw/zinc/66/61/09/927666109.db2.gz WOIIXERJQPHXHI-OCCSQVGLSA-N 1 1 269.389 1.848 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056331 927672602 /nfs/dbraw/zinc/67/26/02/927672602.db2.gz RVJXZZXNDGCNCA-NAWOPXAZSA-N 1 1 282.340 1.458 20 5 CDBDMO C[N@H+](Cc1cn[nH]c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592116 927779010 /nfs/dbraw/zinc/77/90/10/927779010.db2.gz SYYWKHVIDFAVKU-CYBMUJFWSA-N 1 1 276.296 1.483 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591498 927783043 /nfs/dbraw/zinc/78/30/43/927783043.db2.gz QYHWMUIILAFTMU-ZIAGYGMSSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702882 927850869 /nfs/dbraw/zinc/85/08/69/927850869.db2.gz KHXFAXXLPSCICN-DFBGVHRSSA-N 1 1 294.351 1.579 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001156649218 928884320 /nfs/dbraw/zinc/88/43/20/928884320.db2.gz WHLAMKBEZBOUHP-MRVPVSSYSA-N 1 1 256.693 1.707 20 5 CDBDMO COc1cc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157010807 929106217 /nfs/dbraw/zinc/10/62/17/929106217.db2.gz SPYAVQGXUHFOJJ-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000863483911 929558404 /nfs/dbraw/zinc/55/84/04/929558404.db2.gz RJTGBOSHCBDNQP-LLVKDONJSA-N 1 1 285.731 1.326 20 5 CDBDMO O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880293728 929648231 /nfs/dbraw/zinc/64/82/31/929648231.db2.gz CBWNVFCTTSEHPQ-SNVBAGLBSA-N 1 1 281.287 1.825 20 5 CDBDMO O=C(C[N@H+]1CC[C@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880293728 929648243 /nfs/dbraw/zinc/64/82/43/929648243.db2.gz CBWNVFCTTSEHPQ-SNVBAGLBSA-N 1 1 281.287 1.825 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000882486344 930011853 /nfs/dbraw/zinc/01/18/53/930011853.db2.gz QLDAOHKUHZFHBM-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000882488404 930012848 /nfs/dbraw/zinc/01/28/48/930012848.db2.gz DAPNDDDMLPWILG-ZDUSSCGKSA-N 1 1 291.351 1.656 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@@H+](C)C1CC1 ZINC000217804010 930180233 /nfs/dbraw/zinc/18/02/33/930180233.db2.gz MWUAUAVLFIEPJZ-SECBINFHSA-N 1 1 295.314 1.946 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170898031 930694484 /nfs/dbraw/zinc/69/44/84/930694484.db2.gz BEFZRRMXTNBEEJ-MRVPVSSYSA-N 1 1 293.249 1.444 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000885959333 930778227 /nfs/dbraw/zinc/77/82/27/930778227.db2.gz YSQTUVQEDUVLOJ-LLVKDONJSA-N 1 1 265.313 1.848 20 5 CDBDMO COC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000886179460 930821523 /nfs/dbraw/zinc/82/15/23/930821523.db2.gz WENAAWXBLZHPPY-NWDGAFQWSA-N 1 1 281.312 1.273 20 5 CDBDMO CS[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886226686 930830983 /nfs/dbraw/zinc/83/09/83/930830983.db2.gz PWTULKRCBKARMM-JTQLQIEISA-N 1 1 253.327 1.927 20 5 CDBDMO CS[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886226686 930830991 /nfs/dbraw/zinc/83/09/91/930830991.db2.gz PWTULKRCBKARMM-JTQLQIEISA-N 1 1 253.327 1.927 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886232109 930833077 /nfs/dbraw/zinc/83/30/77/930833077.db2.gz PVVJQJSEAUTHNM-PWSUYJOCSA-N 1 1 265.313 1.847 20 5 CDBDMO CC[NH2+]CC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886829958 930971439 /nfs/dbraw/zinc/97/14/39/930971439.db2.gz KCZWIAVXJNXCEC-UHFFFAOYSA-N 1 1 278.356 1.811 20 5 CDBDMO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886916299 930993993 /nfs/dbraw/zinc/99/39/93/930993993.db2.gz RRUZYABVBKZWKO-GHMZBOCLSA-N 1 1 299.327 1.422 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826573487 931113634 /nfs/dbraw/zinc/11/36/34/931113634.db2.gz BYVAVQVIQQJXLM-CYBMUJFWSA-N 1 1 277.324 1.158 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000822528299 931167605 /nfs/dbraw/zinc/16/76/05/931167605.db2.gz AMHGCCDLQHCYBU-RYUDHWBXSA-N 1 1 283.372 1.565 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)[C@@H]2C)c1 ZINC001307776601 931554311 /nfs/dbraw/zinc/55/43/11/931554311.db2.gz UXEPOUUMONYTIU-ZANVPECISA-N 1 1 294.307 1.337 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)[C@@H]2C)c1 ZINC001307776601 931554315 /nfs/dbraw/zinc/55/43/15/931554315.db2.gz UXEPOUUMONYTIU-ZANVPECISA-N 1 1 294.307 1.337 20 5 CDBDMO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928555946 933156782 /nfs/dbraw/zinc/15/67/82/933156782.db2.gz LPAZFLJBNVWPSY-NSHDSACASA-N 1 1 293.323 1.102 20 5 CDBDMO C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929099354 933203464 /nfs/dbraw/zinc/20/34/64/933203464.db2.gz GGTRFBUECVZPAX-KBPBESRZSA-N 1 1 289.335 1.472 20 5 CDBDMO COc1cc(OC)cc(OCCC[N@@H+](C)CC[N+](=O)[O-])c1 ZINC000929821003 933273154 /nfs/dbraw/zinc/27/31/54/933273154.db2.gz JSQRUTKKEYJFRI-UHFFFAOYSA-N 1 1 298.339 1.681 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000930487931 933384421 /nfs/dbraw/zinc/38/44/21/933384421.db2.gz KPVLPVKHZBOBSC-NSHDSACASA-N 1 1 258.705 1.630 20 5 CDBDMO O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930510269 933391388 /nfs/dbraw/zinc/39/13/88/933391388.db2.gz QOJKCOOFCXVROZ-NSHDSACASA-N 1 1 271.317 1.006 20 5 CDBDMO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930510269 933391395 /nfs/dbraw/zinc/39/13/95/933391395.db2.gz QOJKCOOFCXVROZ-NSHDSACASA-N 1 1 271.317 1.006 20 5 CDBDMO CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017543387 935642842 /nfs/dbraw/zinc/64/28/42/935642842.db2.gz AXTARLOCHWDJHC-YVECIDJPSA-N 1 1 281.356 1.127 20 5 CDBDMO CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017543387 935642845 /nfs/dbraw/zinc/64/28/45/935642845.db2.gz AXTARLOCHWDJHC-YVECIDJPSA-N 1 1 281.356 1.127 20 5 CDBDMO CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017543387 935642847 /nfs/dbraw/zinc/64/28/47/935642847.db2.gz AXTARLOCHWDJHC-YVECIDJPSA-N 1 1 281.356 1.127 20 5 CDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC2CC2)CC1 ZINC001045435798 935884779 /nfs/dbraw/zinc/88/47/79/935884779.db2.gz BJEJSLALTAPPDZ-VXGBXAGGSA-N 1 1 281.356 1.032 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800545630 935911334 /nfs/dbraw/zinc/91/13/34/935911334.db2.gz UNYLLWFXPALPJF-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001120959044 937850176 /nfs/dbraw/zinc/85/01/76/937850176.db2.gz FBZFNKQSLRNOPE-HZMBPMFUSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001120959044 937850180 /nfs/dbraw/zinc/85/01/80/937850180.db2.gz FBZFNKQSLRNOPE-HZMBPMFUSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001120959044 937850181 /nfs/dbraw/zinc/85/01/81/937850181.db2.gz FBZFNKQSLRNOPE-HZMBPMFUSA-N 1 1 293.371 1.223 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCC2)COC1 ZINC001157651235 938526671 /nfs/dbraw/zinc/52/66/71/938526671.db2.gz YYATVBGYTOEBTF-UHFFFAOYSA-N 1 1 292.339 1.575 20 5 CDBDMO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])ccn2)c2ccncc12 ZINC001160944791 938847053 /nfs/dbraw/zinc/84/70/53/938847053.db2.gz XWZKPIXPWVMZSB-UHFFFAOYSA-N 1 1 283.291 1.830 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(NCc2[nH+]cn3ccccc23)n1 ZINC001161684201 938919592 /nfs/dbraw/zinc/91/95/92/938919592.db2.gz IPQHFUHWUCSINZ-UHFFFAOYSA-N 1 1 284.279 1.953 20 5 CDBDMO CC(C)(C)[NH+]1CC(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162226085 938964566 /nfs/dbraw/zinc/96/45/66/938964566.db2.gz OEIVNMXLLYEBSA-UHFFFAOYSA-N 1 1 265.317 1.467 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000307865502 940967199 /nfs/dbraw/zinc/96/71/99/940967199.db2.gz MKPGYTWIRQUNCM-UHFFFAOYSA-N 1 1 265.317 1.104 20 5 CDBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CC[N@@H+](C)C1 ZINC001222772496 941633253 /nfs/dbraw/zinc/63/32/53/941633253.db2.gz CZTJODDIEFLMOH-SNVBAGLBSA-N 1 1 294.307 1.602 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1COC[C@@H]1C[N@H+](C)CCO1 ZINC001223108711 941658931 /nfs/dbraw/zinc/65/89/31/941658931.db2.gz WTWHZLANLFIYGC-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1COC[C@@H]1C[N@@H+](C)CCO1 ZINC001223108711 941658933 /nfs/dbraw/zinc/65/89/33/941658933.db2.gz WTWHZLANLFIYGC-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO C[C@H](OCC[NH+]1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC001224549084 941768748 /nfs/dbraw/zinc/76/87/48/941768748.db2.gz JMSWCTKHPFXKOD-ZDUSSCGKSA-N 1 1 293.367 1.920 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434670 942004480 /nfs/dbraw/zinc/00/44/80/942004480.db2.gz NYXZAVUQQUDETD-JTQLQIEISA-N 1 1 274.280 1.621 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217361 942151152 /nfs/dbraw/zinc/15/11/52/942151152.db2.gz WHILCCOYZRLWEJ-JTQLQIEISA-N 1 1 289.291 1.932 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCNC(=O)CC1 ZINC001254550643 947520903 /nfs/dbraw/zinc/52/09/03/947520903.db2.gz NURILUCDAOPZPC-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCNC(=O)CC1 ZINC001254550643 947520911 /nfs/dbraw/zinc/52/09/11/947520911.db2.gz NURILUCDAOPZPC-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001254550178 947521157 /nfs/dbraw/zinc/52/11/57/947521157.db2.gz DZRWVSFZKDYIJP-OSMZGAPFSA-N 1 1 282.315 1.931 20 5 CDBDMO CCOC(=O)C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600901 947548852 /nfs/dbraw/zinc/54/88/52/947548852.db2.gz SCIOHPJVGSEEID-CQSZACIVSA-N 1 1 290.319 1.557 20 5 CDBDMO [NH3+]C1(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001246084237 947934457 /nfs/dbraw/zinc/93/44/57/947934457.db2.gz PNIGKIKWWSZPAL-CYBMUJFWSA-N 1 1 275.352 1.923 20 5 CDBDMO COCn1ncc(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001334097878 954089950 /nfs/dbraw/zinc/08/99/50/954089950.db2.gz RGUKGDGWFVJVPI-UHFFFAOYSA-N 1 1 290.323 1.993 20 5 CDBDMO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])n[nH]1)CC(C)(C)C ZINC001303573101 954096505 /nfs/dbraw/zinc/09/65/05/954096505.db2.gz BWRJQDUCDCNKLT-UHFFFAOYSA-N 1 1 269.305 1.234 20 5 CDBDMO CC(C)C[N@@H+](C)CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001307156180 956373287 /nfs/dbraw/zinc/37/32/87/956373287.db2.gz BZYHQCYYJKVTAX-UHFFFAOYSA-N 1 1 269.349 1.718 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745077 960537161 /nfs/dbraw/zinc/53/71/61/960537161.db2.gz MGCSPPJJEWMNMH-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1nc(NC[C@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001336764602 960561762 /nfs/dbraw/zinc/56/17/62/960561762.db2.gz MHSKKTJEEKEKGW-SNVBAGLBSA-N 1 1 265.317 1.589 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC001350490470 966679325 /nfs/dbraw/zinc/67/93/25/966679325.db2.gz JJQYYYJFMSLZSJ-SNVBAGLBSA-N 1 1 279.344 1.614 20 5 CDBDMO C[C@@]([NH3+])(C(=O)Nc1cnns1)c1cccc([N+](=O)[O-])c1 ZINC001576085549 1171329031 /nfs/dbraw/zinc/32/90/31/1171329031.db2.gz LNCCEWRJAOATFP-NSHDSACASA-N 1 1 293.308 1.259 20 5 CDBDMO CCc1nn(C)c(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185401 342489251 /nfs/dbraw/zinc/48/92/51/342489251.db2.gz TWVIFMCAPJSPBR-WDEREUQCSA-N 1 1 293.371 1.279 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000599199605 343979701 /nfs/dbraw/zinc/97/97/01/343979701.db2.gz MVQHKZRXHCWJHI-JTQLQIEISA-N 1 1 281.312 1.082 20 5 CDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000139670821 342026934 /nfs/dbraw/zinc/02/69/34/342026934.db2.gz LVIXPZUEIXTVMS-NSHDSACASA-N 1 1 290.323 1.953 20 5 CDBDMO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000025925594 342054224 /nfs/dbraw/zinc/05/42/24/342054224.db2.gz GKZJOZHUOUROHV-UHFFFAOYSA-N 1 1 260.297 1.960 20 5 CDBDMO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000025925594 342054225 /nfs/dbraw/zinc/05/42/25/342054225.db2.gz GKZJOZHUOUROHV-UHFFFAOYSA-N 1 1 260.297 1.960 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609135567 342091853 /nfs/dbraw/zinc/09/18/53/342091853.db2.gz RDGCHMPQXZGFFI-SNVBAGLBSA-N 1 1 295.343 1.229 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417094 342902797 /nfs/dbraw/zinc/90/27/97/342902797.db2.gz ABXQNWLKJHISCP-WCQYABFASA-N 1 1 292.339 1.670 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422362 342903705 /nfs/dbraw/zinc/90/37/05/342903705.db2.gz YQOTWQDHJSIDFS-JQWIXIFHSA-N 1 1 292.339 1.670 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383637 342265687 /nfs/dbraw/zinc/26/56/87/342265687.db2.gz YBQQFZLJJFCRIG-NSHDSACASA-N 1 1 292.339 1.147 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000595323091 343035724 /nfs/dbraw/zinc/03/57/24/343035724.db2.gz QJYHWTQFEZFSTR-CYBMUJFWSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000595323091 343035726 /nfs/dbraw/zinc/03/57/26/343035726.db2.gz QJYHWTQFEZFSTR-CYBMUJFWSA-N 1 1 298.314 1.707 20 5 CDBDMO NC(=O)c1ccc(C[N@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000404274129 349769883 /nfs/dbraw/zinc/76/98/83/349769883.db2.gz CTUQSMFSQCRJOD-UHFFFAOYSA-N 1 1 293.323 1.041 20 5 CDBDMO NC(=O)c1ccc(C[N@@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000404274129 349769886 /nfs/dbraw/zinc/76/98/86/349769886.db2.gz CTUQSMFSQCRJOD-UHFFFAOYSA-N 1 1 293.323 1.041 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428962 343057827 /nfs/dbraw/zinc/05/78/27/343057827.db2.gz HYFWQGPSSPUBHW-IUCAKERBSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428962 343057829 /nfs/dbraw/zinc/05/78/29/343057829.db2.gz HYFWQGPSSPUBHW-IUCAKERBSA-N 1 1 255.274 1.094 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595522214 343088358 /nfs/dbraw/zinc/08/83/58/343088358.db2.gz ZQSAEZHFWSXPLP-ZJUUUORDSA-N 1 1 297.311 1.713 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979242 362244125 /nfs/dbraw/zinc/24/41/25/362244125.db2.gz LEFGPTAHDYMRFQ-SNVBAGLBSA-N 1 1 293.323 1.467 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603284 343584847 /nfs/dbraw/zinc/58/48/47/343584847.db2.gz BBFIDUWSGDAYAP-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO O=[N+]([O-])c1ccc(CNCC[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000599010194 343939579 /nfs/dbraw/zinc/93/95/79/343939579.db2.gz RWJZSHUWCWDOSJ-GFCCVEGCSA-N 1 1 299.758 1.404 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000159547097 362285900 /nfs/dbraw/zinc/28/59/00/362285900.db2.gz JQKURKJZMLVDDN-KOLCDFICSA-N 1 1 295.339 1.543 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964352 344298028 /nfs/dbraw/zinc/29/80/28/344298028.db2.gz NRLROKWCXMPECN-ZDUSSCGKSA-N 1 1 290.323 1.284 20 5 CDBDMO CO[C@]1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649490 344515413 /nfs/dbraw/zinc/51/54/13/344515413.db2.gz JRXOVMNVBYATIB-HNNXBMFYSA-N 1 1 294.351 1.875 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000602795937 344586322 /nfs/dbraw/zinc/58/63/22/344586322.db2.gz INBXYUBMKDIEMU-LLVKDONJSA-N 1 1 284.360 1.439 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000602831491 344614193 /nfs/dbraw/zinc/61/41/93/344614193.db2.gz IIWMPLSRJOFGFK-ZDUSSCGKSA-N 1 1 295.387 1.372 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000602831491 344614194 /nfs/dbraw/zinc/61/41/94/344614194.db2.gz IIWMPLSRJOFGFK-ZDUSSCGKSA-N 1 1 295.387 1.372 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000602831491 344614195 /nfs/dbraw/zinc/61/41/95/344614195.db2.gz IIWMPLSRJOFGFK-ZDUSSCGKSA-N 1 1 295.387 1.372 20 5 CDBDMO COC(=O)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602787365 344599825 /nfs/dbraw/zinc/59/98/25/344599825.db2.gz QNDLHLQQNSPVIY-UHFFFAOYSA-N 1 1 298.343 1.373 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@H](C)CO)C1CCCC1 ZINC000602813469 344604842 /nfs/dbraw/zinc/60/48/42/344604842.db2.gz GCGJYMMQVOSVJX-LLVKDONJSA-N 1 1 296.371 1.725 20 5 CDBDMO CCN1CC[NH+](CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603853531 344840195 /nfs/dbraw/zinc/84/01/95/344840195.db2.gz BRUOTRVNXWADAR-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000129154873 362526409 /nfs/dbraw/zinc/52/64/09/362526409.db2.gz JTDQQZSHDLPCKB-JTQLQIEISA-N 1 1 265.317 1.529 20 5 CDBDMO O=[N+]([O-])c1ccsc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611412054 346779446 /nfs/dbraw/zinc/77/94/46/346779446.db2.gz FQCZWVJSZWRBRD-PWSUYJOCSA-N 1 1 297.380 1.692 20 5 CDBDMO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112090934 365871820 /nfs/dbraw/zinc/87/18/20/365871820.db2.gz DFQYHFAXGACCSP-NEPJUHHUSA-N 1 1 277.324 1.870 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000047226729 348807763 /nfs/dbraw/zinc/80/77/63/348807763.db2.gz FPNNRGCHAHIHSZ-UONOGXRCSA-N 1 1 289.335 1.951 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854663 350077132 /nfs/dbraw/zinc/07/71/32/350077132.db2.gz YMJZWMPJQNTKFY-VIFPVBQESA-N 1 1 278.312 1.137 20 5 CDBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549838 180002724 /nfs/dbraw/zinc/00/27/24/180002724.db2.gz QIRRZUHNYHYFBW-MNOVXSKESA-N 1 1 297.380 1.582 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106880499 186145383 /nfs/dbraw/zinc/14/53/83/186145383.db2.gz LVUXBAHBTWTUOF-LBPRGKRZSA-N 1 1 266.297 1.694 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000119047246 186797153 /nfs/dbraw/zinc/79/71/53/186797153.db2.gz CDDZKGBRCVABPT-UHFFFAOYSA-N 1 1 261.285 1.318 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123884540 187113501 /nfs/dbraw/zinc/11/35/01/187113501.db2.gz VMIZMKNJMRWPRA-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292144218 198180423 /nfs/dbraw/zinc/18/04/23/198180423.db2.gz JRJOGJPUJGWLKB-ZWNOBZJWSA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562923 188029335 /nfs/dbraw/zinc/02/93/35/188029335.db2.gz RENYGGQQMJCMSZ-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000401510426 356253132 /nfs/dbraw/zinc/25/31/32/356253132.db2.gz VNFFJXYPXTYODG-CMPLNLGQSA-N 1 1 280.324 1.806 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cn1 ZINC000273553431 192199328 /nfs/dbraw/zinc/19/93/28/192199328.db2.gz AQXGEBYPRMPIJC-NSHDSACASA-N 1 1 279.344 1.695 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192475067 283211677 /nfs/dbraw/zinc/21/16/77/283211677.db2.gz KLOSOWMVPUIUFD-PHIMTYICSA-N 1 1 275.308 1.228 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000286492973 356770155 /nfs/dbraw/zinc/77/01/55/356770155.db2.gz XKYAWAVBAFIYAS-SECBINFHSA-N 1 1 282.319 1.847 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000590762255 358512296 /nfs/dbraw/zinc/51/22/96/358512296.db2.gz LAGFGOOGBISUIO-PRHODGIISA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000590762255 358512300 /nfs/dbraw/zinc/51/23/00/358512300.db2.gz LAGFGOOGBISUIO-PRHODGIISA-N 1 1 284.287 1.698 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286560006 357194131 /nfs/dbraw/zinc/19/41/31/357194131.db2.gz AHGDAVVAFCHLJI-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286560006 357194134 /nfs/dbraw/zinc/19/41/34/357194134.db2.gz AHGDAVVAFCHLJI-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181020900 357303813 /nfs/dbraw/zinc/30/38/13/357303813.db2.gz GMTAPSOKGDEKSD-SNVBAGLBSA-N 1 1 294.355 1.637 20 5 CDBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621384 357561268 /nfs/dbraw/zinc/56/12/68/357561268.db2.gz YPAMSRNTKQFGPX-WCQYABFASA-N 1 1 279.340 1.877 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CO ZINC000284109829 357642998 /nfs/dbraw/zinc/64/29/98/357642998.db2.gz NBERYAKNGLFGIG-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CO ZINC000284109829 357643002 /nfs/dbraw/zinc/64/30/02/357643002.db2.gz NBERYAKNGLFGIG-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408072583 357810699 /nfs/dbraw/zinc/81/06/99/357810699.db2.gz NTIPZPNXAFAKNW-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408072583 357810701 /nfs/dbraw/zinc/81/07/01/357810701.db2.gz NTIPZPNXAFAKNW-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)O ZINC000267154043 358936943 /nfs/dbraw/zinc/93/69/43/358936943.db2.gz NMTHUOQSIGDMLN-JTQLQIEISA-N 1 1 295.339 1.625 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451788061 359080319 /nfs/dbraw/zinc/08/03/19/359080319.db2.gz YWXDSDRYSHMASD-SNVBAGLBSA-N 1 1 284.360 1.557 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451788061 359080324 /nfs/dbraw/zinc/08/03/24/359080324.db2.gz YWXDSDRYSHMASD-SNVBAGLBSA-N 1 1 284.360 1.557 20 5 CDBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847990 359084927 /nfs/dbraw/zinc/08/49/27/359084927.db2.gz JJAMOIOZLIEJPY-QWHCGFSZSA-N 1 1 294.355 1.681 20 5 CDBDMO CC(C)CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119794660 359108879 /nfs/dbraw/zinc/10/88/79/359108879.db2.gz ZLBQTKSFELMGQB-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112925734 359364986 /nfs/dbraw/zinc/36/49/86/359364986.db2.gz WRDHLZXHBORWLV-RMKNXTFCSA-N 1 1 277.324 1.676 20 5 CDBDMO C[N@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298090182 200331284 /nfs/dbraw/zinc/33/12/84/200331284.db2.gz OEPFPDSUBAECJO-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298090182 200331285 /nfs/dbraw/zinc/33/12/85/200331285.db2.gz OEPFPDSUBAECJO-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO C[C@H]([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177223142 238275633 /nfs/dbraw/zinc/27/56/33/238275633.db2.gz HQJRFNIWKROETD-JQWIXIFHSA-N 1 1 282.344 1.273 20 5 CDBDMO Cn1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000345853411 364043548 /nfs/dbraw/zinc/04/35/48/364043548.db2.gz OCEZZRUJEDZKBQ-MNOVXSKESA-N 1 1 292.339 1.290 20 5 CDBDMO CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270826089 366935021 /nfs/dbraw/zinc/93/50/21/366935021.db2.gz BXUGDUWGALDCKB-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc(OC)c(F)cc2[N+](=O)[O-])n1 ZINC000414639874 241291892 /nfs/dbraw/zinc/29/18/92/241291892.db2.gz HKZJTGACRYXFHK-UHFFFAOYSA-N 1 1 282.231 1.512 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\CNC1CC[NH2+]CC1 ZINC000414793175 241389855 /nfs/dbraw/zinc/38/98/55/241389855.db2.gz TWSCQEBCXHIPLA-HYXAFXHYSA-N 1 1 261.325 1.950 20 5 CDBDMO C[NH2+]C[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000414839746 367160047 /nfs/dbraw/zinc/16/00/47/367160047.db2.gz MPEJMVFAVFNQHZ-SNVBAGLBSA-N 1 1 251.330 1.848 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000348636920 367598449 /nfs/dbraw/zinc/59/84/49/367598449.db2.gz SBNJVKNERPLBRY-XBJHSPDSSA-N 1 1 292.335 1.690 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170781011 369084031 /nfs/dbraw/zinc/08/40/31/369084031.db2.gz BMGMTYRSLUNTOM-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000330860300 203324066 /nfs/dbraw/zinc/32/40/66/203324066.db2.gz RPBXAZHFPJISQO-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000295247320 369747258 /nfs/dbraw/zinc/74/72/58/369747258.db2.gz YVVSIBMRRGAEDZ-UHFFFAOYSA-N 1 1 288.307 1.284 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000295247320 369747262 /nfs/dbraw/zinc/74/72/62/369747262.db2.gz YVVSIBMRRGAEDZ-UHFFFAOYSA-N 1 1 288.307 1.284 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000441376588 370233303 /nfs/dbraw/zinc/23/33/03/370233303.db2.gz DRJWTHBKUVYBAD-TVQRCGJNSA-N 1 1 293.323 1.218 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000015260831 370336470 /nfs/dbraw/zinc/33/64/70/370336470.db2.gz WNTYCNJQXVYPCS-NSHDSACASA-N 1 1 280.324 1.808 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000015260831 370336472 /nfs/dbraw/zinc/33/64/72/370336472.db2.gz WNTYCNJQXVYPCS-NSHDSACASA-N 1 1 280.324 1.808 20 5 CDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000121816932 373237422 /nfs/dbraw/zinc/23/74/22/373237422.db2.gz ZHQKZLDGXUJAGT-GXSJLCMTSA-N 1 1 295.364 1.743 20 5 CDBDMO C[C@H]1CCNC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011838 374366306 /nfs/dbraw/zinc/36/63/06/374366306.db2.gz JMEWHZSUOWZDEK-FZMZJTMJSA-N 1 1 263.341 1.725 20 5 CDBDMO CC(C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276755504 374747755 /nfs/dbraw/zinc/74/77/55/374747755.db2.gz FMOVFHGVWMTDNK-UHFFFAOYSA-N 1 1 295.343 1.170 20 5 CDBDMO CCOCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000093315903 374741946 /nfs/dbraw/zinc/74/19/46/374741946.db2.gz GSZPCXAPNICKOZ-UHFFFAOYSA-N 1 1 298.339 1.951 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000449522142 374816249 /nfs/dbraw/zinc/81/62/49/374816249.db2.gz VZJXDVYCJMYJPW-OCCSQVGLSA-N 1 1 261.325 1.731 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280353127 374994241 /nfs/dbraw/zinc/99/42/41/374994241.db2.gz XLMUBOSVZUVNRD-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282560612 375093422 /nfs/dbraw/zinc/09/34/22/375093422.db2.gz DRKDMCWASKRWRI-LLVKDONJSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000282835198 375102564 /nfs/dbraw/zinc/10/25/64/375102564.db2.gz RAYWYSBHFKWTFU-JTQLQIEISA-N 1 1 254.286 1.286 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611433 375185681 /nfs/dbraw/zinc/18/56/81/375185681.db2.gz YYCBYRWHMSSZNM-GWCFXTLKSA-N 1 1 277.324 1.866 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000225744101 375194171 /nfs/dbraw/zinc/19/41/71/375194171.db2.gz GOMMAHNCMRDFQG-NSHDSACASA-N 1 1 282.319 1.392 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000304316517 375427866 /nfs/dbraw/zinc/42/78/66/375427866.db2.gz ONPGJNGZVARSGT-IACUBPJLSA-N 1 1 294.355 1.417 20 5 CDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227140991 375451248 /nfs/dbraw/zinc/45/12/48/375451248.db2.gz OYQPDVXMCODJKW-JTQLQIEISA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000227140991 375451254 /nfs/dbraw/zinc/45/12/54/375451254.db2.gz OYQPDVXMCODJKW-JTQLQIEISA-N 1 1 299.762 1.301 20 5 CDBDMO CC(C)OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304963556 375528095 /nfs/dbraw/zinc/52/80/95/375528095.db2.gz NVBFABGVSNIPJG-OAHLLOKOSA-N 1 1 294.351 1.739 20 5 CDBDMO CC(C)OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304963556 375528099 /nfs/dbraw/zinc/52/80/99/375528099.db2.gz NVBFABGVSNIPJG-OAHLLOKOSA-N 1 1 294.351 1.739 20 5 CDBDMO CC[N@@H+](CCC1CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000355073558 375771152 /nfs/dbraw/zinc/77/11/52/375771152.db2.gz ZHNUNIFRKGKDPU-UHFFFAOYSA-N 1 1 252.318 1.950 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133522609 375794549 /nfs/dbraw/zinc/79/45/49/375794549.db2.gz FHMOIKYRYZGUHR-WCBMZHEXSA-N 1 1 279.344 1.674 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000356881821 375865945 /nfs/dbraw/zinc/86/59/45/375865945.db2.gz OSUIRRGCEGXWDO-NEPJUHHUSA-N 1 1 291.351 1.688 20 5 CDBDMO CC(=O)c1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358337736 375961637 /nfs/dbraw/zinc/96/16/37/375961637.db2.gz MDQVCOXLSOLFDH-CQSZACIVSA-N 1 1 293.323 1.276 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000357809951 375935595 /nfs/dbraw/zinc/93/55/95/375935595.db2.gz QEBNLJSCRDUOSF-JTQLQIEISA-N 1 1 269.349 1.861 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171099004 376121013 /nfs/dbraw/zinc/12/10/13/376121013.db2.gz WDSJQSKQLCIAJT-UHFFFAOYSA-N 1 1 296.327 1.295 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000162621277 376982668 /nfs/dbraw/zinc/98/26/68/376982668.db2.gz KEVJYHAUQHBQJD-UHFFFAOYSA-N 1 1 274.227 1.310 20 5 CDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000171808594 377055702 /nfs/dbraw/zinc/05/57/02/377055702.db2.gz ZGVHFWGUFRDTKX-MRVPVSSYSA-N 1 1 295.343 1.093 20 5 CDBDMO COC[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471476 378455772 /nfs/dbraw/zinc/45/57/72/378455772.db2.gz FMGHKPPUDMGZHS-QWRGUYRKSA-N 1 1 280.328 1.511 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000266909916 378613278 /nfs/dbraw/zinc/61/32/78/378613278.db2.gz CRWWWWDENLWSCS-NEPJUHHUSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000266909916 378613280 /nfs/dbraw/zinc/61/32/80/378613280.db2.gz CRWWWWDENLWSCS-NEPJUHHUSA-N 1 1 266.301 1.045 20 5 CDBDMO CCc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000266935367 378876004 /nfs/dbraw/zinc/87/60/04/378876004.db2.gz OMPLPMBUYATKOU-UHFFFAOYSA-N 1 1 291.351 1.981 20 5 CDBDMO COc1cccc(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000444335706 250123891 /nfs/dbraw/zinc/12/38/91/250123891.db2.gz MBMQCQGLSUNTTK-UHFFFAOYSA-N 1 1 279.296 1.039 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000174274987 379432651 /nfs/dbraw/zinc/43/26/51/379432651.db2.gz CWQCUHQWUIWZGY-CYBMUJFWSA-N 1 1 294.355 1.418 20 5 CDBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882592 379606302 /nfs/dbraw/zinc/60/63/02/379606302.db2.gz LOTYAADTCWECRP-JSGCOSHPSA-N 1 1 296.371 1.927 20 5 CDBDMO Cc1nc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450255449 251194778 /nfs/dbraw/zinc/19/47/78/251194778.db2.gz BSWNSRWFUSUOTQ-MNOVXSKESA-N 1 1 293.371 1.790 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598788 251359710 /nfs/dbraw/zinc/35/97/10/251359710.db2.gz RFHFRRBXAHDHPR-GFCCVEGCSA-N 1 1 297.330 1.993 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000280870261 195009606 /nfs/dbraw/zinc/00/96/06/195009606.db2.gz ZMPXNKBBAOPLFU-AWEZNQCLSA-N 1 1 293.323 1.171 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](CCO)CC1 ZINC000069562945 285095043 /nfs/dbraw/zinc/09/50/43/285095043.db2.gz RBTVSZNLIIZJLB-UHFFFAOYSA-N 1 1 283.303 1.238 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCCO)C1CC1 ZINC000135223381 285160306 /nfs/dbraw/zinc/16/03/06/285160306.db2.gz ISEZDBTYQFVJHG-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCCO)C1CC1 ZINC000135223381 285160307 /nfs/dbraw/zinc/16/03/07/285160307.db2.gz ISEZDBTYQFVJHG-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO Nc1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000287170281 196794856 /nfs/dbraw/zinc/79/48/56/196794856.db2.gz YYMUZJNUZLMIDN-UHFFFAOYSA-N 1 1 280.328 1.311 20 5 CDBDMO COc1ccc(OCC[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285874496 390186012 /nfs/dbraw/zinc/18/60/12/390186012.db2.gz YJVDQKVDBDFJNL-LLVKDONJSA-N 1 1 298.339 1.949 20 5 CDBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000517069691 390968297 /nfs/dbraw/zinc/96/82/97/390968297.db2.gz DBVVOLZZCUQRER-JOYOIKCWSA-N 1 1 282.296 1.576 20 5 CDBDMO CN1CCO[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000120997627 391119276 /nfs/dbraw/zinc/11/92/76/391119276.db2.gz CWWWPHPOPUAOFJ-KBPBESRZSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 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CN(C(=O)C[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000078528271 177350469 /nfs/dbraw/zinc/35/04/69/177350469.db2.gz DNAITNQPOPAPDV-UHFFFAOYSA-N 1 1 263.297 1.652 20 5 CDBDMO CN(C(=O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000078528271 177350470 /nfs/dbraw/zinc/35/04/70/177350470.db2.gz DNAITNQPOPAPDV-UHFFFAOYSA-N 1 1 263.297 1.652 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000273705442 277085062 /nfs/dbraw/zinc/08/50/62/277085062.db2.gz DJYNFBGSJYVRLW-JQWIXIFHSA-N 1 1 277.328 1.305 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000190337110 277183406 /nfs/dbraw/zinc/18/34/06/277183406.db2.gz AZHGJHIJSSFLIN-ZJUUUORDSA-N 1 1 282.369 1.972 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343542652 279124704 /nfs/dbraw/zinc/12/47/04/279124704.db2.gz YQTOSXTVPMTYTH-BXKDBHETSA-N 1 1 295.314 1.946 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc(C[NH3+])no2)c1 ZINC000574638197 295031349 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COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422948978 536896301 /nfs/dbraw/zinc/89/63/01/536896301.db2.gz TYFYRIZOIVIMJT-ZJUUUORDSA-N 1 1 267.329 1.819 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000766969993 576151210 /nfs/dbraw/zinc/15/12/10/576151210.db2.gz YMGSDBMNPZGEKM-JTQLQIEISA-N 1 1 296.327 1.360 20 5 CDBDMO Cc1[nH+]ccn1CCCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000767740704 576225467 /nfs/dbraw/zinc/22/54/67/576225467.db2.gz HNZHNGZCEZITBI-UHFFFAOYSA-N 1 1 293.283 1.080 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C[N@H+]1C ZINC000768526610 576292859 /nfs/dbraw/zinc/29/28/59/576292859.db2.gz OFIDXKVALVSSFK-BDAKNGLRSA-N 1 1 291.311 1.660 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526618 576293027 /nfs/dbraw/zinc/29/30/27/576293027.db2.gz OFIDXKVALVSSFK-RKDXNWHRSA-N 1 1 291.311 1.660 20 5 CDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761084208 576545202 /nfs/dbraw/zinc/54/52/02/576545202.db2.gz YRCSPEFLHXRHJB-GFCCVEGCSA-N 1 1 279.340 1.610 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000742196773 576586601 /nfs/dbraw/zinc/58/66/01/576586601.db2.gz ODYXTDSRFZROBB-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000742196773 576586602 /nfs/dbraw/zinc/58/66/02/576586602.db2.gz ODYXTDSRFZROBB-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000748081852 576895043 /nfs/dbraw/zinc/89/50/43/576895043.db2.gz FKZIXNVZMGJYBS-UHFFFAOYSA-N 1 1 281.360 1.555 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000748348557 576907136 /nfs/dbraw/zinc/90/71/36/576907136.db2.gz GXVSVGUDTQODMD-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000748348557 576907138 /nfs/dbraw/zinc/90/71/38/576907138.db2.gz GXVSVGUDTQODMD-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000750035928 576972896 /nfs/dbraw/zinc/97/28/96/576972896.db2.gz MJVXJDHTINPSDR-AWEZNQCLSA-N 1 1 280.324 1.333 20 5 CDBDMO COc1c(O)ccc(CNCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000892786208 617747463 /nfs/dbraw/zinc/74/74/63/617747463.db2.gz OMXOBTSHJADORC-UHFFFAOYSA-N 1 1 297.355 1.739 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000893884917 618139182 /nfs/dbraw/zinc/13/91/82/618139182.db2.gz VMBWMDVVSXTFLQ-CQSZACIVSA-N 1 1 296.323 1.656 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893939182 618200820 /nfs/dbraw/zinc/20/08/20/618200820.db2.gz IHHGWIVJCFCMSI-GHMZBOCLSA-N 1 1 287.323 1.383 20 5 CDBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555428 619364183 /nfs/dbraw/zinc/36/41/83/619364183.db2.gz JQGMKWNNGHNLNJ-ZWNOBZJWSA-N 1 1 277.324 1.519 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928557105 619367871 /nfs/dbraw/zinc/36/78/71/619367871.db2.gz ZWNFLRLBHDHHFX-SNVBAGLBSA-N 1 1 281.287 1.097 20 5 CDBDMO COc1cc(OC)c(OC)cc1C[NH2+]CC[N+](=O)[O-] ZINC000899860353 622486599 /nfs/dbraw/zinc/48/65/99/622486599.db2.gz KJYDGBOTFMCXEJ-UHFFFAOYSA-N 1 1 270.285 1.079 20 5 CDBDMO Cn1c[nH+]cc1CCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000902359112 624723344 /nfs/dbraw/zinc/72/33/44/624723344.db2.gz MKVMBZHCNCUWKF-UHFFFAOYSA-N 1 1 291.307 1.832 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000157694624 630609583 /nfs/dbraw/zinc/60/95/83/630609583.db2.gz HOOXQJYSIYLOFH-VHSXEESVSA-N 1 1 295.314 1.946 20 5 CDBDMO Cc1nn(CN2CC[N@H+](C)C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000153677206 631785327 /nfs/dbraw/zinc/78/53/27/631785327.db2.gz GHNIUBYKEIVACZ-CYBMUJFWSA-N 1 1 295.387 1.638 20 5 CDBDMO COc1cc(C)c(C[N@H+](C)CC[N+](=O)[O-])cc1OC ZINC000791053229 1162187208 /nfs/dbraw/zinc/18/72/08/1162187208.db2.gz JVSUJOBOMVNXBU-UHFFFAOYSA-N 1 1 268.313 1.721 20 5 CDBDMO COc1cc(C)c(C[N@@H+](C)CC[N+](=O)[O-])cc1OC ZINC000791053229 1162187211 /nfs/dbraw/zinc/18/72/11/1162187211.db2.gz JVSUJOBOMVNXBU-UHFFFAOYSA-N 1 1 268.313 1.721 20 5 CDBDMO Cn1c(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810843900 1163324462 /nfs/dbraw/zinc/32/44/62/1163324462.db2.gz YNTKKOOZXJONBN-MNOVXSKESA-N 1 1 293.323 1.717 20 5 CDBDMO Cc1cc(F)cc(C(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000122313884 1164996375 /nfs/dbraw/zinc/99/63/75/1164996375.db2.gz HOJPLRIRRCKONS-UHFFFAOYSA-N 1 1 295.314 1.820 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000931707268 1166772226 /nfs/dbraw/zinc/77/22/26/1166772226.db2.gz AZQZTGCFSSRCND-QWRGUYRKSA-N 1 1 292.257 1.387 20 5 CDBDMO CC(C)=CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753852829 1185360784 /nfs/dbraw/zinc/36/07/84/1185360784.db2.gz BYSAGSFRVGTORW-VXGBXAGGSA-N 1 1 269.345 1.008 20 5 CDBDMO CC(C)=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753852829 1185360790 /nfs/dbraw/zinc/36/07/90/1185360790.db2.gz BYSAGSFRVGTORW-VXGBXAGGSA-N 1 1 269.345 1.008 20 5 CDBDMO CC(C)=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753852829 1185360797 /nfs/dbraw/zinc/36/07/97/1185360797.db2.gz BYSAGSFRVGTORW-VXGBXAGGSA-N 1 1 269.345 1.008 20 5 CDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001339468442 1167484439 /nfs/dbraw/zinc/48/44/39/1167484439.db2.gz VHUQVFMXJSOHIW-SNVBAGLBSA-N 1 1 296.375 1.166 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001173224740 912315953 /nfs/dbraw/zinc/31/59/53/912315953.db2.gz GVQSDTQFZUISEU-JIMOISOXSA-N 1 1 268.288 1.540 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001173224740 912315971 /nfs/dbraw/zinc/31/59/71/912315971.db2.gz GVQSDTQFZUISEU-JIMOISOXSA-N 1 1 268.288 1.540 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229414 912323272 /nfs/dbraw/zinc/32/32/72/912323272.db2.gz UQHOFXVHUUCLQI-SNVBAGLBSA-N 1 1 265.313 1.204 20 5 CDBDMO Cc1c(F)cc([N+](=O)[O-])cc1-n1cnc(C[NH3+])cc1=N ZINC001167361886 895434540 /nfs/dbraw/zinc/43/45/40/895434540.db2.gz HBWXIXSCLHSYMR-UHFFFAOYSA-N 1 1 277.259 1.166 20 5 CDBDMO O=C(NCCCCCC[NH2+]CCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001178463720 915450669 /nfs/dbraw/zinc/45/06/69/915450669.db2.gz JJLZKQBUMQLMKS-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO Cc1cc(C)c(-n2[nH]c(=O)nc2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001168760590 923142126 /nfs/dbraw/zinc/14/21/26/923142126.db2.gz CEBUXIDIJBXRPZ-UHFFFAOYSA-N 1 1 277.284 1.265 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168966530 927588563 /nfs/dbraw/zinc/58/85/63/927588563.db2.gz JCMALENAIXLZMJ-USZNOCQGSA-N 1 1 272.345 1.609 20 5 CDBDMO CN1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168966183 927589231 /nfs/dbraw/zinc/58/92/31/927589231.db2.gz GXUFKIIWYPIUSX-UPJWGTAASA-N 1 1 255.362 1.363 20 5 CDBDMO Cc1nc(CC[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001169011259 927616146 /nfs/dbraw/zinc/61/61/46/927616146.db2.gz IZNGPZCDIKYGJJ-GHMZBOCLSA-N 1 1 268.317 1.298 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC3(COC3)C2)C1 ZINC001169012550 927619030 /nfs/dbraw/zinc/61/90/30/927619030.db2.gz RAQPCCLJYVVTMD-NWDGAFQWSA-N 1 1 254.330 1.544 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC001169027876 927633063 /nfs/dbraw/zinc/63/30/63/927633063.db2.gz RKBMBKTZWCEEKM-KFWWJZLASA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001169027876 927633073 /nfs/dbraw/zinc/63/30/73/927633073.db2.gz RKBMBKTZWCEEKM-KFWWJZLASA-N 1 1 281.400 1.992 20 5 CDBDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034909 927642490 /nfs/dbraw/zinc/64/24/90/927642490.db2.gz IMWALRUNSNFAET-LPWJVIDDSA-N 1 1 253.346 1.210 20 5 CDBDMO C[N@@H+](Cc1cnccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037447 927646450 /nfs/dbraw/zinc/64/64/50/927646450.db2.gz RXABYTJUFFMNAO-CMPLNLGQSA-N 1 1 250.302 1.354 20 5 CDBDMO CCC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036676 927647427 /nfs/dbraw/zinc/64/74/27/927647427.db2.gz PODAJCIGOSNQHQ-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO CCC[N@@H+](CC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039708 927651528 /nfs/dbraw/zinc/65/15/28/927651528.db2.gz SNHFKXJKIKBRCU-VXGBXAGGSA-N 1 1 272.345 1.707 20 5 CDBDMO CCO[C@@H]1C[C@H]2CN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[N@H+]2C1 ZINC001169019206 927660198 /nfs/dbraw/zinc/66/01/98/927660198.db2.gz FPJFCUCAXAJRBY-LJISPDSOSA-N 1 1 297.399 1.227 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055388 927672686 /nfs/dbraw/zinc/67/26/86/927672686.db2.gz PWOOVRCVUXPBDB-IACUBPJLSA-N 1 1 295.383 1.422 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001156649219 928885089 /nfs/dbraw/zinc/88/50/89/928885089.db2.gz WHLAMKBEZBOUHP-QMMMGPOBSA-N 1 1 256.693 1.707 20 5 CDBDMO CN(C)c1ccc(N[C@@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170900143 930701800 /nfs/dbraw/zinc/70/18/00/930701800.db2.gz JBVOZJNJKYWTBZ-GFCCVEGCSA-N 1 1 267.333 1.096 20 5 CDBDMO C[NH2+][C@@H]1CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001156639531 938399334 /nfs/dbraw/zinc/39/93/34/938399334.db2.gz UPBUKZHWZUVICE-QMMMGPOBSA-N 1 1 292.673 1.944 20 5 CDBDMO O=C(NCCC[NH2+]C/C(Cl)=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157767300 938542735 /nfs/dbraw/zinc/54/27/35/938542735.db2.gz KYZVQEPOUZECSR-LKJMDQPVSA-N 1 1 296.154 1.067 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160963843 938851232 /nfs/dbraw/zinc/85/12/32/938851232.db2.gz IYJZKBIABIGDBA-SECBINFHSA-N 1 1 295.299 1.794 20 5 CDBDMO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CCC1(F)F ZINC001164322843 939456008 /nfs/dbraw/zinc/45/60/08/939456008.db2.gz GTAKPZSFFCLCLO-SECBINFHSA-N 1 1 297.265 1.644 20 5 CDBDMO Cc1nc(N2CC[N@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165201505 939523170 /nfs/dbraw/zinc/52/31/70/939523170.db2.gz NJJNGCLUWZPXSZ-SNVBAGLBSA-N 1 1 279.344 1.612 20 5 CDBDMO COc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001165261336 939535564 /nfs/dbraw/zinc/53/55/64/939535564.db2.gz ONBZSTFQEOMJKU-SNVBAGLBSA-N 1 1 295.343 1.537 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)OCc1ccccc1[N+](=O)[O-] ZINC001222759082 941632324 /nfs/dbraw/zinc/63/23/24/941632324.db2.gz DAOZUQHVMJBMRU-LBPRGKRZSA-N 1 1 280.324 1.832 20 5 CDBDMO Cc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001225663949 941896206 /nfs/dbraw/zinc/89/62/06/941896206.db2.gz VJCPYLCSPPTWGD-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ncc1[N+](=O)[O-] ZINC001225663949 941896211 /nfs/dbraw/zinc/89/62/11/941896211.db2.gz VJCPYLCSPPTWGD-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462274 942179494 /nfs/dbraw/zinc/17/94/94/942179494.db2.gz CFQMZMVTFNEBCF-VIFPVBQESA-N 1 1 267.241 1.586 20 5 CDBDMO C[C@H](C[NH+](C)C)Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227690145 942205627 /nfs/dbraw/zinc/20/56/27/942205627.db2.gz GOKORNCTPLMBDB-SSDOTTSWSA-N 1 1 265.273 1.195 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H](F)C[C@H]1CO)C2 ZINC001254600661 947548602 /nfs/dbraw/zinc/54/86/02/947548602.db2.gz UROIUXMKVKHGIQ-BNOWGMLFSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H](F)C[C@H]1CO)C2 ZINC001254600661 947548607 /nfs/dbraw/zinc/54/86/07/947548607.db2.gz UROIUXMKVKHGIQ-BNOWGMLFSA-N 1 1 280.299 1.467 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC001326491500 954406816 /nfs/dbraw/zinc/40/68/16/954406816.db2.gz GTPYUHFJBIMROB-SECBINFHSA-N 1 1 265.317 1.589 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608471 962448553 /nfs/dbraw/zinc/44/85/53/962448553.db2.gz BWDXMRJTZWIUBM-LDYMZIIASA-N 1 1 277.328 1.467 20 5 CDBDMO CC[N@@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571644 969433763 /nfs/dbraw/zinc/43/37/63/969433763.db2.gz WSRROHQNTBXCAK-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571644 969433767 /nfs/dbraw/zinc/43/37/67/969433767.db2.gz WSRROHQNTBXCAK-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[C@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601168385 342485540 /nfs/dbraw/zinc/48/55/40/342485540.db2.gz VLBRJKWWUILJMQ-JTQLQIEISA-N 1 1 261.281 1.748 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H]4[C@H](CO)[C@H]4C3)c2c1 ZINC000601168515 342485550 /nfs/dbraw/zinc/48/55/50/342485550.db2.gz ZXHOPNYKSUFVRE-ITGUQSILSA-N 1 1 285.303 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3C[C@@H](O)C3)c2c1 ZINC000601170879 342485882 /nfs/dbraw/zinc/48/58/82/342485882.db2.gz FMETUUBFFJQDNC-WAAGHKOSSA-N 1 1 259.265 1.500 20 5 CDBDMO CN(c1c([N+](=O)[O-])ncn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000588073566 342491811 /nfs/dbraw/zinc/49/18/11/342491811.db2.gz VGAKMRCURJWPTP-ZACCUICWSA-N 1 1 279.344 1.390 20 5 CDBDMO CCN(C)C(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601145837 342481473 /nfs/dbraw/zinc/48/14/73/342481473.db2.gz SNHMOMQNFUOBJW-UHFFFAOYSA-N 1 1 288.307 1.455 20 5 CDBDMO CC(=O)c1cc(N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000235671749 342051315 /nfs/dbraw/zinc/05/13/15/342051315.db2.gz KOUFQPQXUJUVOW-JTQLQIEISA-N 1 1 277.324 1.938 20 5 CDBDMO CC(=O)c1cc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000235671749 342051316 /nfs/dbraw/zinc/05/13/16/342051316.db2.gz KOUFQPQXUJUVOW-JTQLQIEISA-N 1 1 277.324 1.938 20 5 CDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000600315534 342089636 /nfs/dbraw/zinc/08/96/36/342089636.db2.gz USFGPFBDGFKVST-SNVBAGLBSA-N 1 1 295.343 1.088 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3CO)nc2c1 ZINC000083198864 342115845 /nfs/dbraw/zinc/11/58/45/342115845.db2.gz ZZVYZFNKSCEPEU-SNVBAGLBSA-N 1 1 277.280 1.693 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3CO)nc2c1 ZINC000083198864 342115846 /nfs/dbraw/zinc/11/58/46/342115846.db2.gz ZZVYZFNKSCEPEU-SNVBAGLBSA-N 1 1 277.280 1.693 20 5 CDBDMO C[C@@H]1[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000592779292 342727452 /nfs/dbraw/zinc/72/74/52/342727452.db2.gz SYKALTDUSZXPTM-BXUZGUMPSA-N 1 1 291.351 1.594 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593187386 342776468 /nfs/dbraw/zinc/77/64/68/342776468.db2.gz JUXTYXYHGRGACX-BBBLOLIVSA-N 1 1 281.312 1.741 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593187386 342776470 /nfs/dbraw/zinc/77/64/70/342776470.db2.gz JUXTYXYHGRGACX-BBBLOLIVSA-N 1 1 281.312 1.741 20 5 CDBDMO C[C@@H](O)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594067198 342870184 /nfs/dbraw/zinc/87/01/84/342870184.db2.gz ZPLXXMBNCFRADC-SECBINFHSA-N 1 1 266.297 1.646 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594067198 342870186 /nfs/dbraw/zinc/87/01/86/342870186.db2.gz ZPLXXMBNCFRADC-SECBINFHSA-N 1 1 266.297 1.646 20 5 CDBDMO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074725763 342303467 /nfs/dbraw/zinc/30/34/67/342303467.db2.gz MNEIELAWNTYJEJ-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO COCC(COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040251 342998117 /nfs/dbraw/zinc/99/81/17/342998117.db2.gz FOGLUDQCEQGWFJ-SNVBAGLBSA-N 1 1 298.339 1.915 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000595301621 343028219 /nfs/dbraw/zinc/02/82/19/343028219.db2.gz GTEDKJHROBXKSS-SNVBAGLBSA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000595301621 343028222 /nfs/dbraw/zinc/02/82/22/343028222.db2.gz GTEDKJHROBXKSS-SNVBAGLBSA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595406901 343050521 /nfs/dbraw/zinc/05/05/21/343050521.db2.gz CRAVTEWVXPTOLH-VHSXEESVSA-N 1 1 268.317 1.416 20 5 CDBDMO CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595387541 343052559 /nfs/dbraw/zinc/05/25/59/343052559.db2.gz CYNAHXISGOFCHL-SECBINFHSA-N 1 1 268.317 1.417 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595690138 343132663 /nfs/dbraw/zinc/13/26/63/343132663.db2.gz VNLVNNPJLMAKJK-KOLCDFICSA-N 1 1 283.328 1.874 20 5 CDBDMO O=c1[nH]ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076858 343226879 /nfs/dbraw/zinc/22/68/79/343226879.db2.gz QTEVZTYUYQSUBV-GXSJLCMTSA-N 1 1 278.312 1.734 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000596430339 343319269 /nfs/dbraw/zinc/31/92/69/343319269.db2.gz LSFZLPQOBUPXDI-WDEREUQCSA-N 1 1 280.328 1.511 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000596430339 343319270 /nfs/dbraw/zinc/31/92/70/343319270.db2.gz LSFZLPQOBUPXDI-WDEREUQCSA-N 1 1 280.328 1.511 20 5 CDBDMO COCCOCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607292 342386859 /nfs/dbraw/zinc/38/68/59/342386859.db2.gz DIRKCAWCJDMXAD-UHFFFAOYSA-N 1 1 280.324 1.616 20 5 CDBDMO COCCOCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607292 342386860 /nfs/dbraw/zinc/38/68/60/342386860.db2.gz DIRKCAWCJDMXAD-UHFFFAOYSA-N 1 1 280.324 1.616 20 5 CDBDMO CCn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598987415 343935098 /nfs/dbraw/zinc/93/50/98/343935098.db2.gz UNEUYYKUYWKINC-UHFFFAOYSA-N 1 1 261.285 1.496 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000601980635 344306791 /nfs/dbraw/zinc/30/67/91/344306791.db2.gz YYFQIRIGRBJCQB-NSHDSACASA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000601980635 344306794 /nfs/dbraw/zinc/30/67/94/344306794.db2.gz YYFQIRIGRBJCQB-NSHDSACASA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cnccn1 ZINC000602777437 344593619 /nfs/dbraw/zinc/59/36/19/344593619.db2.gz FAMOWRRTDGQGLL-UHFFFAOYSA-N 1 1 276.300 1.022 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cnccn1 ZINC000602777437 344593622 /nfs/dbraw/zinc/59/36/22/344593622.db2.gz FAMOWRRTDGQGLL-UHFFFAOYSA-N 1 1 276.300 1.022 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCS1 ZINC000602779147 344594974 /nfs/dbraw/zinc/59/49/74/344594974.db2.gz BIGIDNADWSXALV-NSHDSACASA-N 1 1 284.385 1.927 20 5 CDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCC1 ZINC000602764335 344585022 /nfs/dbraw/zinc/58/50/22/344585022.db2.gz QJMKISQKWMNQNG-UHFFFAOYSA-N 1 1 296.371 1.991 20 5 CDBDMO CCOCC[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799049 344589431 /nfs/dbraw/zinc/58/94/31/344589431.db2.gz QLVQZNWJSDBTNJ-UHFFFAOYSA-N 1 1 256.306 1.068 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000602819494 344608629 /nfs/dbraw/zinc/60/86/29/344608629.db2.gz DCTCLGSATCAZGF-NSHDSACASA-N 1 1 296.371 1.583 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602823199 344610381 /nfs/dbraw/zinc/61/03/81/344610381.db2.gz ZOPBAMUJZCKIML-CQSZACIVSA-N 1 1 296.371 1.991 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835264 344618215 /nfs/dbraw/zinc/61/82/15/344618215.db2.gz IMXFTTNUROLRPK-ZDUSSCGKSA-N 1 1 282.344 1.458 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000602902065 344655283 /nfs/dbraw/zinc/65/52/83/344655283.db2.gz FOUGIFVOEVPVCN-MFKMUULPSA-N 1 1 282.344 1.050 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842136 344622160 /nfs/dbraw/zinc/62/21/60/344622160.db2.gz QHZZDMWNSIAYMV-ZYHUDNBSSA-N 1 1 282.344 1.457 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000602848658 344625391 /nfs/dbraw/zinc/62/53/91/344625391.db2.gz FDQJVCVBXZOLCM-LLVKDONJSA-N 1 1 294.355 1.743 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000602848658 344625394 /nfs/dbraw/zinc/62/53/94/344625394.db2.gz FDQJVCVBXZOLCM-LLVKDONJSA-N 1 1 294.355 1.743 20 5 CDBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747775 345609329 /nfs/dbraw/zinc/60/93/29/345609329.db2.gz BQTXWKJPFQREOY-UONOGXRCSA-N 1 1 296.371 1.663 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000609548626 345641620 /nfs/dbraw/zinc/64/16/20/345641620.db2.gz QBLISKFWLGASDC-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000305264677 349941826 /nfs/dbraw/zinc/94/18/26/349941826.db2.gz YOEKYOCOVHYEPE-ZDUSSCGKSA-N 1 1 293.323 1.236 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000305264677 349941831 /nfs/dbraw/zinc/94/18/31/349941831.db2.gz YOEKYOCOVHYEPE-ZDUSSCGKSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000610280825 346242738 /nfs/dbraw/zinc/24/27/38/346242738.db2.gz LPLTXZCYNFWKHO-LLVKDONJSA-N 1 1 297.380 1.815 20 5 CDBDMO O=[N+]([O-])c1ncccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000610280861 346243038 /nfs/dbraw/zinc/24/30/38/346243038.db2.gz YYZKPAUSTHBDLJ-GFCCVEGCSA-N 1 1 292.339 1.148 20 5 CDBDMO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112090931 365872886 /nfs/dbraw/zinc/87/28/86/365872886.db2.gz DFQYHFAXGACCSP-VXGBXAGGSA-N 1 1 277.324 1.870 20 5 CDBDMO CSC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552705 180002778 /nfs/dbraw/zinc/00/27/78/180002778.db2.gz GHQDRWHUBVHYCY-GFCCVEGCSA-N 1 1 297.380 1.584 20 5 CDBDMO Cc1cnc(NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000090692035 180024517 /nfs/dbraw/zinc/02/45/17/180024517.db2.gz JTFXFAFGJMJXDJ-JTQLQIEISA-N 1 1 250.302 1.662 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122578852 187039775 /nfs/dbraw/zinc/03/97/75/187039775.db2.gz GRMTUJYXYSUKPY-MNOVXSKESA-N 1 1 252.318 1.769 20 5 CDBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)CO ZINC000292298486 198234864 /nfs/dbraw/zinc/23/48/64/198234864.db2.gz UTFOERUUMIKWOR-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000155068928 188179826 /nfs/dbraw/zinc/17/98/26/188179826.db2.gz KEFVOZSFEGEXAT-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286261181 356238186 /nfs/dbraw/zinc/23/81/86/356238186.db2.gz AXRFBICXRAHDBK-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000286492976 356771074 /nfs/dbraw/zinc/77/10/74/356771074.db2.gz XKYAWAVBAFIYAS-VIFPVBQESA-N 1 1 282.319 1.847 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360983873 357764310 /nfs/dbraw/zinc/76/43/10/357764310.db2.gz IAKNUUSPMMJORW-CMPLNLGQSA-N 1 1 295.387 1.896 20 5 CDBDMO CC[C@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589665 357783783 /nfs/dbraw/zinc/78/37/83/357783783.db2.gz CHRZCUXAHYTXFZ-ZDUSSCGKSA-N 1 1 282.344 1.276 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccco1 ZINC000294343496 199005521 /nfs/dbraw/zinc/00/55/21/199005521.db2.gz LIVLAWMLKXZZAM-NSHDSACASA-N 1 1 297.355 1.834 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181258 358179903 /nfs/dbraw/zinc/17/99/03/358179903.db2.gz SJECEBLKWGEHSF-JTQLQIEISA-N 1 1 270.358 1.619 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192796906 358236440 /nfs/dbraw/zinc/23/64/40/358236440.db2.gz YJDJOHOIPQHWPB-NWDGAFQWSA-N 1 1 276.340 1.850 20 5 CDBDMO C[C@H]1CN(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963143 358252987 /nfs/dbraw/zinc/25/29/87/358252987.db2.gz SPCYIHVMRCPJKD-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000192963143 358252988 /nfs/dbraw/zinc/25/29/88/358252988.db2.gz SPCYIHVMRCPJKD-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193634443 358311504 /nfs/dbraw/zinc/31/15/04/358311504.db2.gz BSEDCCYIKYKFHG-UFBFGSQYSA-N 1 1 297.742 1.862 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361570983 358325476 /nfs/dbraw/zinc/32/54/76/358325476.db2.gz GVUMFLWGELZXNI-CQSZACIVSA-N 1 1 294.355 1.417 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cccn1 ZINC000051383743 358693936 /nfs/dbraw/zinc/69/39/36/358693936.db2.gz CRKDVYPMBYWQEK-ZDUSSCGKSA-N 1 1 290.323 1.284 20 5 CDBDMO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000048331265 359200572 /nfs/dbraw/zinc/20/05/72/359200572.db2.gz WSILPPWJSBULKJ-LLVKDONJSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000048331265 359200578 /nfs/dbraw/zinc/20/05/78/359200578.db2.gz WSILPPWJSBULKJ-LLVKDONJSA-N 1 1 266.297 1.560 20 5 CDBDMO CC(=O)NCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000569807886 359263531 /nfs/dbraw/zinc/26/35/31/359263531.db2.gz FENFLHDJIHRTKE-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457162 359480020 /nfs/dbraw/zinc/48/00/20/359480020.db2.gz LFYIAAIWSLTZDK-RISCZKNCSA-N 1 1 264.325 1.840 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050113666 359571930 /nfs/dbraw/zinc/57/19/30/359571930.db2.gz YJRQQWKBVWSANO-NSHDSACASA-N 1 1 266.297 1.560 20 5 CDBDMO CC(C)(O)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000297360304 200162734 /nfs/dbraw/zinc/16/27/34/200162734.db2.gz HIPLFMICQKTCSL-UHFFFAOYSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[C@@H](CSC)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091099742 360229266 /nfs/dbraw/zinc/22/92/66/360229266.db2.gz ZLHZXNWCSHWRDJ-NSHDSACASA-N 1 1 299.396 1.830 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000177437743 189051039 /nfs/dbraw/zinc/05/10/39/189051039.db2.gz RKCKRPFKKNUIOR-CQSZACIVSA-N 1 1 278.308 1.980 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000047226731 360804010 /nfs/dbraw/zinc/80/40/10/360804010.db2.gz GSUWEFSKUVXFQK-GXTWGEPZSA-N 1 1 289.335 1.951 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000131334092 361074275 /nfs/dbraw/zinc/07/42/75/361074275.db2.gz BBUXORFCEGFEIU-SNVBAGLBSA-N 1 1 254.286 1.286 20 5 CDBDMO CN(C)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035081393 361222354 /nfs/dbraw/zinc/22/23/54/361222354.db2.gz WOFIDHRVGDBKMT-UHFFFAOYSA-N 1 1 271.704 1.426 20 5 CDBDMO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000301662803 201122782 /nfs/dbraw/zinc/12/27/82/201122782.db2.gz NDVCAODWRARUCU-OCCSQVGLSA-N 1 1 293.323 1.123 20 5 CDBDMO Cc1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000037995915 361518307 /nfs/dbraw/zinc/51/83/07/361518307.db2.gz RXWQRMOJWWZOGN-UHFFFAOYSA-N 1 1 292.339 1.265 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692143 363938813 /nfs/dbraw/zinc/93/88/13/363938813.db2.gz YJUIJZJTYUICTK-JSGCOSHPSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527513 364141018 /nfs/dbraw/zinc/14/10/18/364141018.db2.gz BWMBEOOBFXOPNO-PSASIEDQSA-N 1 1 265.317 1.588 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835292 364582103 /nfs/dbraw/zinc/58/21/03/364582103.db2.gz AZGYBMANKVIHBJ-NSHDSACASA-N 1 1 252.318 1.913 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202081 364644433 /nfs/dbraw/zinc/64/44/33/364644433.db2.gz PPUXXZBFTOQRKT-GFCCVEGCSA-N 1 1 277.324 1.682 20 5 CDBDMO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000268518605 364795896 /nfs/dbraw/zinc/79/58/96/364795896.db2.gz UQLBNQSNHUDPFT-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457052535 365344591 /nfs/dbraw/zinc/34/45/91/365344591.db2.gz ANFPADUDYNSPGH-UHFFFAOYSA-N 1 1 281.312 1.792 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270928313 366945929 /nfs/dbraw/zinc/94/59/29/366945929.db2.gz PJRAUHATVRALKC-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330667372 203095872 /nfs/dbraw/zinc/09/58/72/203095872.db2.gz IXOVJWVFTRLUPH-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330667372 203095875 /nfs/dbraw/zinc/09/58/75/203095875.db2.gz IXOVJWVFTRLUPH-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000330680260 203111260 /nfs/dbraw/zinc/11/12/60/203111260.db2.gz FLMYLMUTRHQVSU-JTQLQIEISA-N 1 1 281.312 1.792 20 5 CDBDMO CC1(C)C[NH2+]CC[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000420353863 244129098 /nfs/dbraw/zinc/12/90/98/244129098.db2.gz CGEVVRKTOGZYJL-AWEZNQCLSA-N 1 1 293.367 1.951 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755481 203192922 /nfs/dbraw/zinc/19/29/22/203192922.db2.gz KAWJEFRHEVSEOY-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000330812455 203265284 /nfs/dbraw/zinc/26/52/84/203265284.db2.gz CCPCNEJVMKJQFZ-CYBMUJFWSA-N 1 1 282.365 1.547 20 5 CDBDMO Cc1c([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874878 203339621 /nfs/dbraw/zinc/33/96/21/203339621.db2.gz ISLVUCBVCVTNIP-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000330874878 203339624 /nfs/dbraw/zinc/33/96/24/203339624.db2.gz ISLVUCBVCVTNIP-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000422013685 244935796 /nfs/dbraw/zinc/93/57/96/244935796.db2.gz DBOOWUKYHRGIPS-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000331422507 203829626 /nfs/dbraw/zinc/82/96/26/203829626.db2.gz LCGKAYOYEWLTFN-NWDGAFQWSA-N 1 1 292.339 1.513 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1[C@H]1CCCO1 ZINC000368073291 371506916 /nfs/dbraw/zinc/50/69/16/371506916.db2.gz KZUAHTBWFLRMDF-YPMHNXCESA-N 1 1 294.355 1.681 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356614153 372985304 /nfs/dbraw/zinc/98/53/04/372985304.db2.gz UCBXZCSFTXITKY-MWLCHTKSSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356614153 372985309 /nfs/dbraw/zinc/98/53/09/372985309.db2.gz UCBXZCSFTXITKY-MWLCHTKSSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624420 373188987 /nfs/dbraw/zinc/18/89/87/373188987.db2.gz CGRJCBOOAKEBSG-GWCFXTLKSA-N 1 1 250.298 1.970 20 5 CDBDMO CC[N@@H+](CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667589 373536307 /nfs/dbraw/zinc/53/63/07/373536307.db2.gz SYHQPRZHTIWVTP-ZDUSSCGKSA-N 1 1 268.313 1.333 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCSCC2)c1 ZINC000269697514 373866456 /nfs/dbraw/zinc/86/64/56/373866456.db2.gz XEPUSHKKNXVLMA-GFCCVEGCSA-N 1 1 268.338 1.677 20 5 CDBDMO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000298725378 374082124 /nfs/dbraw/zinc/08/21/24/374082124.db2.gz MMYDMEZHHSLMSL-VHSXEESVSA-N 1 1 294.359 1.499 20 5 CDBDMO C[N@H+]1CCCC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000370651788 374396753 /nfs/dbraw/zinc/39/67/53/374396753.db2.gz RWEODNMXRIJEGF-UHFFFAOYSA-N 1 1 293.371 1.352 20 5 CDBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000370386599 374391599 /nfs/dbraw/zinc/39/15/99/374391599.db2.gz IVCABRLYLDITEP-CHWSQXEVSA-N 1 1 294.351 1.646 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116269295 374461449 /nfs/dbraw/zinc/46/14/49/374461449.db2.gz SUXTWHWLNTUKII-UHFFFAOYSA-N 1 1 297.742 1.946 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544455 374606787 /nfs/dbraw/zinc/60/67/87/374606787.db2.gz PWWRFFRPLFEUCP-CYBMUJFWSA-N 1 1 282.344 1.276 20 5 CDBDMO COC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278168372 374832410 /nfs/dbraw/zinc/83/24/10/374832410.db2.gz FJPPZXKQNBPKDF-JTQLQIEISA-N 1 1 295.295 1.971 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)nc1 ZINC000277336376 374782526 /nfs/dbraw/zinc/78/25/26/374782526.db2.gz FEMSIHQNCHGFJO-NSHDSACASA-N 1 1 277.328 1.814 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226818 374988653 /nfs/dbraw/zinc/98/86/53/374988653.db2.gz JMJGYAJPGSLWNG-CSPWOOARSA-N 1 1 289.335 1.805 20 5 CDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280355017 374993241 /nfs/dbraw/zinc/99/32/41/374993241.db2.gz XMWVWGIIBFQGJC-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125342184 374996608 /nfs/dbraw/zinc/99/66/08/374996608.db2.gz BSNAVDTYGMAOFZ-SUHUHFCYSA-N 1 1 262.309 1.798 20 5 CDBDMO CC1=C(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280774426 375022502 /nfs/dbraw/zinc/02/25/02/375022502.db2.gz PMQQBMITCLJHHZ-UHFFFAOYSA-N 1 1 250.302 1.833 20 5 CDBDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611439 375185231 /nfs/dbraw/zinc/18/52/31/375185231.db2.gz YYCBYRWHMSSZNM-GXFFZTMASA-N 1 1 277.324 1.866 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528133 375459307 /nfs/dbraw/zinc/45/93/07/375459307.db2.gz MHZRCSYGCSFBCV-JQWIXIFHSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528312 375459973 /nfs/dbraw/zinc/45/99/73/375459973.db2.gz MHZRCSYGCSFBCV-PWSUYJOCSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000052929820 375672462 /nfs/dbraw/zinc/67/24/62/375672462.db2.gz WRNIHYRXJOCFNM-UHFFFAOYSA-N 1 1 278.312 1.076 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000294158029 375720442 /nfs/dbraw/zinc/72/04/42/375720442.db2.gz QNHAZIJPFDKICL-JTQLQIEISA-N 1 1 256.277 1.937 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202407 376426493 /nfs/dbraw/zinc/42/64/93/376426493.db2.gz TZWMDQZJHTUZJE-UHFFFAOYSA-N 1 1 294.355 1.734 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263865774 190082710 /nfs/dbraw/zinc/08/27/10/190082710.db2.gz BTFKVYWLRJNOEL-VIFPVBQESA-N 1 1 268.317 1.383 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448707 190110469 /nfs/dbraw/zinc/11/04/69/190110469.db2.gz SECSXGIDTULBFF-QWHCGFSZSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[C@H](C)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266534667 190264976 /nfs/dbraw/zinc/26/49/76/190264976.db2.gz NRYAYJNGYCDQOD-CMPLNLGQSA-N 1 1 270.333 1.130 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344231198 379341628 /nfs/dbraw/zinc/34/16/28/379341628.db2.gz YORMIEUDYMPJBR-UHFFFAOYSA-N 1 1 281.287 1.558 20 5 CDBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267069862 190301328 /nfs/dbraw/zinc/30/13/28/190301328.db2.gz KPQDLXFTDFZRSG-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000267879172 190360487 /nfs/dbraw/zinc/36/04/87/190360487.db2.gz NWGOZCKGZJFAPG-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1C1CC1 ZINC000267895292 190361413 /nfs/dbraw/zinc/36/14/13/190361413.db2.gz UBSKSFKWZMUUAR-BDAKNGLRSA-N 1 1 265.317 1.365 20 5 CDBDMO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449776421 251015032 /nfs/dbraw/zinc/01/50/32/251015032.db2.gz OXYQKBKZPLCKIF-JTQLQIEISA-N 1 1 251.286 1.209 20 5 CDBDMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551346 251751033 /nfs/dbraw/zinc/75/10/33/251751033.db2.gz UKTFPVSGVHPRQU-CMPLNLGQSA-N 1 1 277.324 1.648 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577207 254090248 /nfs/dbraw/zinc/09/02/48/254090248.db2.gz RUJAWBKOBFOEOO-MNOVXSKESA-N 1 1 281.360 1.861 20 5 CDBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505881726 254095215 /nfs/dbraw/zinc/09/52/15/254095215.db2.gz RCKDYJFYOSSGLY-ALCCZGGFSA-N 1 1 250.298 1.922 20 5 CDBDMO CC[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286208321 390193257 /nfs/dbraw/zinc/19/32/57/390193257.db2.gz CFIBSUMZAGXYKV-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000619697240 390657206 /nfs/dbraw/zinc/65/72/06/390657206.db2.gz MNOZMTCGPYBHQO-BDAKNGLRSA-N 1 1 270.358 1.970 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000619697240 390657211 /nfs/dbraw/zinc/65/72/11/390657211.db2.gz MNOZMTCGPYBHQO-BDAKNGLRSA-N 1 1 270.358 1.970 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680731 390815766 /nfs/dbraw/zinc/81/57/66/390815766.db2.gz UGCLHGDHCKRMPS-OCCSQVGLSA-N 1 1 293.371 1.207 20 5 CDBDMO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356586076 391077795 /nfs/dbraw/zinc/07/77/95/391077795.db2.gz YRTRKKOWERBCOE-SNVBAGLBSA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356586076 391077798 /nfs/dbraw/zinc/07/77/98/391077798.db2.gz YRTRKKOWERBCOE-SNVBAGLBSA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248356618 391193824 /nfs/dbraw/zinc/19/38/24/391193824.db2.gz ONLGXJJAWYSRDI-YGRLFVJLSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(O)C1 ZINC000248356618 391193827 /nfs/dbraw/zinc/19/38/27/391193827.db2.gz ONLGXJJAWYSRDI-YGRLFVJLSA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366130733 391341916 /nfs/dbraw/zinc/34/19/16/391341916.db2.gz AFMIYWZFGLTHLF-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267618220 391630278 /nfs/dbraw/zinc/63/02/78/391630278.db2.gz CVYUIFWUQZNDPK-JTQLQIEISA-N 1 1 277.280 1.957 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267618220 391630281 /nfs/dbraw/zinc/63/02/81/391630281.db2.gz CVYUIFWUQZNDPK-JTQLQIEISA-N 1 1 277.280 1.957 20 5 CDBDMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000449546844 391583690 /nfs/dbraw/zinc/58/36/90/391583690.db2.gz WPYZZMUCCOLXFZ-BETUJISGSA-N 1 1 293.367 1.482 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000344417867 391698272 /nfs/dbraw/zinc/69/82/72/391698272.db2.gz IBEXJBSUPKKJLS-AOOOYVTPSA-N 1 1 281.312 1.743 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000344417867 391698278 /nfs/dbraw/zinc/69/82/78/391698278.db2.gz IBEXJBSUPKKJLS-AOOOYVTPSA-N 1 1 281.312 1.743 20 5 CDBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000416310352 391985189 /nfs/dbraw/zinc/98/51/89/391985189.db2.gz ZKXUQYHISPAHMY-UHFFFAOYSA-N 1 1 279.296 1.124 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000192846782 392232076 /nfs/dbraw/zinc/23/20/76/392232076.db2.gz GCJIOFAUTLFAMO-UHFFFAOYSA-N 1 1 297.359 1.254 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000192846782 392232077 /nfs/dbraw/zinc/23/20/77/392232077.db2.gz GCJIOFAUTLFAMO-UHFFFAOYSA-N 1 1 297.359 1.254 20 5 CDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419376927 392891216 /nfs/dbraw/zinc/89/12/16/392891216.db2.gz UKYVUVUVUXFDJJ-GRYCIOLGSA-N 1 1 279.340 1.733 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475137 392964122 /nfs/dbraw/zinc/96/41/22/392964122.db2.gz RPNBFVJXFDRPIQ-SDDRHHMPSA-N 1 1 281.360 1.602 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577628 393083384 /nfs/dbraw/zinc/08/33/84/393083384.db2.gz GICFPEYMBWNJFB-MDZLAQPJSA-N 1 1 282.344 1.273 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000429793166 393087285 /nfs/dbraw/zinc/08/72/85/393087285.db2.gz VHUKCJQMKUIVGC-NWDGAFQWSA-N 1 1 295.387 1.490 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000430195096 393090664 /nfs/dbraw/zinc/09/06/64/393090664.db2.gz MYGFTZUEEIVOST-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO COCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430212387 393093468 /nfs/dbraw/zinc/09/34/68/393093468.db2.gz MPODBPQQMHQKIC-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430212387 393093473 /nfs/dbraw/zinc/09/34/73/393093473.db2.gz MPODBPQQMHQKIC-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO CC(C)[C@@](C)(CN)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000430589991 393100945 /nfs/dbraw/zinc/10/09/45/393100945.db2.gz JOPBGBTXZZQPJM-CQSZACIVSA-N 1 1 281.356 1.937 20 5 CDBDMO Cn1c[nH+]cc1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000530436845 393052306 /nfs/dbraw/zinc/05/23/06/393052306.db2.gz GKZDVPQLQUCLDV-UHFFFAOYSA-N 1 1 297.318 1.953 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000302155420 393196899 /nfs/dbraw/zinc/19/68/99/393196899.db2.gz MKCHSKWJSGGQNY-LLVKDONJSA-N 1 1 265.317 1.161 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275427245 135106871 /nfs/dbraw/zinc/10/68/71/135106871.db2.gz UXCTZGKCQZLGCI-WDEREUQCSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275427245 135106872 /nfs/dbraw/zinc/10/68/72/135106872.db2.gz UXCTZGKCQZLGCI-WDEREUQCSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccccc1[N+](=O)[O-] ZINC000275837781 135114044 /nfs/dbraw/zinc/11/40/44/135114044.db2.gz PHUYTINHLRJDBY-LBPRGKRZSA-N 1 1 293.367 1.876 20 5 CDBDMO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000228944201 140199447 /nfs/dbraw/zinc/19/94/47/140199447.db2.gz IDHQHZMFNOYUKP-MRVPVSSYSA-N 1 1 271.342 1.659 20 5 CDBDMO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252666950 140321935 /nfs/dbraw/zinc/32/19/35/140321935.db2.gz DFQYHFAXGACCSP-RYUDHWBXSA-N 1 1 277.324 1.870 20 5 CDBDMO CC[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C(N)=O ZINC000310135471 149190827 /nfs/dbraw/zinc/19/08/27/149190827.db2.gz BKXHKPDTSYTRSL-JTQLQIEISA-N 1 1 257.315 1.400 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000352386998 155151754 /nfs/dbraw/zinc/15/17/54/155151754.db2.gz MINNLRNSQGWPFV-UHFFFAOYSA-N 1 1 268.317 1.385 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343458073 152187925 /nfs/dbraw/zinc/18/79/25/152187925.db2.gz VWOYUIORVSVVFK-ZWNOBZJWSA-N 1 1 277.324 1.807 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000347045496 153392030 /nfs/dbraw/zinc/39/20/30/153392030.db2.gz NSPAZBGALTWQPD-MFKMUULPSA-N 1 1 278.308 1.978 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355782646 157233409 /nfs/dbraw/zinc/23/34/09/157233409.db2.gz MDIORQJELLERQA-AWEZNQCLSA-N 1 1 294.355 1.721 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355782646 157233413 /nfs/dbraw/zinc/23/34/13/157233413.db2.gz MDIORQJELLERQA-AWEZNQCLSA-N 1 1 294.355 1.721 20 5 CDBDMO Cc1nn(C)c(N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000362740024 159227116 /nfs/dbraw/zinc/22/71/16/159227116.db2.gz BKRBYGMILLOBQJ-JTQLQIEISA-N 1 1 290.327 1.364 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000072302156 176365233 /nfs/dbraw/zinc/36/52/33/176365233.db2.gz NZSFIFXZURAFQS-SNVBAGLBSA-N 1 1 267.333 1.106 20 5 CDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078639358 177363452 /nfs/dbraw/zinc/36/34/52/177363452.db2.gz RTZVUTJSYZNKKD-SECBINFHSA-N 1 1 272.326 1.118 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000278690776 277199414 /nfs/dbraw/zinc/19/94/14/277199414.db2.gz HPWTUOSRZVCQTD-AOOOYVTPSA-N 1 1 265.288 1.732 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000292459400 281013764 /nfs/dbraw/zinc/01/37/64/281013764.db2.gz ZWXCDUPYSCBYQC-CQSZACIVSA-N 1 1 276.340 1.830 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CC1 ZINC000277867330 281257743 /nfs/dbraw/zinc/25/77/43/281257743.db2.gz AQHSBOGRAVSQBF-UHFFFAOYSA-N 1 1 277.324 1.727 20 5 CDBDMO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000540627330 289455202 /nfs/dbraw/zinc/45/52/02/289455202.db2.gz LWYARCGVXWBMST-SSDOTTSWSA-N 1 1 278.355 1.179 20 5 CDBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001591125705 1173574425 /nfs/dbraw/zinc/57/44/25/1173574425.db2.gz LFVBQQAQOWCCGE-UHFFFAOYSA-N 1 1 274.284 1.369 20 5 CDBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143462 324376994 /nfs/dbraw/zinc/37/69/94/324376994.db2.gz XIKYARVMXARTEY-NWDGAFQWSA-N 1 1 291.351 1.766 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000567183037 482455655 /nfs/dbraw/zinc/45/56/55/482455655.db2.gz GDUFNBVROMMSBH-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000567183037 482455656 /nfs/dbraw/zinc/45/56/56/482455656.db2.gz GDUFNBVROMMSBH-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO CC[N@@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000048572407 520340891 /nfs/dbraw/zinc/34/08/91/520340891.db2.gz IXZGVDAFPLXGTJ-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069091455 521479227 /nfs/dbraw/zinc/47/92/27/521479227.db2.gz KDTRSXUWYHFCKZ-UHFFFAOYSA-N 1 1 277.324 1.826 20 5 CDBDMO CNc1c(C(=O)NCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000161475720 522537055 /nfs/dbraw/zinc/53/70/55/522537055.db2.gz JVLVDPAITHUWPA-UHFFFAOYSA-N 1 1 294.355 1.707 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000061379770 523616931 /nfs/dbraw/zinc/61/69/31/523616931.db2.gz XHCJQKLVXXOVRJ-UHFFFAOYSA-N 1 1 271.292 1.724 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc[nH]n3)CC2)n1 ZINC000365118612 527407533 /nfs/dbraw/zinc/40/75/33/527407533.db2.gz WBNKFOVZYWDQTF-UHFFFAOYSA-N 1 1 276.300 1.352 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000049568823 527413207 /nfs/dbraw/zinc/41/32/07/527413207.db2.gz VKDDNUDNJHTARY-WDEREUQCSA-N 1 1 263.301 1.424 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799748 574450670 /nfs/dbraw/zinc/45/06/70/574450670.db2.gz QIMUUHLAKIHBJQ-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000770221118 575432502 /nfs/dbraw/zinc/43/25/02/575432502.db2.gz HUHRJNJLCUBEDN-UHFFFAOYSA-N 1 1 289.339 1.773 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900337 576441905 /nfs/dbraw/zinc/44/19/05/576441905.db2.gz GCLDIHJQXOMYBM-ZIAGYGMSSA-N 1 1 280.324 1.475 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000892992828 618033101 /nfs/dbraw/zinc/03/31/01/618033101.db2.gz AJTFKNCWGIAWMN-GFCCVEGCSA-N 1 1 287.323 1.927 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000892992828 618033105 /nfs/dbraw/zinc/03/31/05/618033105.db2.gz AJTFKNCWGIAWMN-GFCCVEGCSA-N 1 1 287.323 1.927 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000893874299 618121901 /nfs/dbraw/zinc/12/19/01/618121901.db2.gz VVQQICUGRGEHSH-JTQLQIEISA-N 1 1 295.314 1.866 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000928572577 619423062 /nfs/dbraw/zinc/42/30/62/619423062.db2.gz HYJBDXRJHOPRFL-IRBQFCFKSA-N 1 1 275.308 1.428 20 5 CDBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000897684249 621072317 /nfs/dbraw/zinc/07/23/17/621072317.db2.gz LRFMRVABACMMRD-JDRNFJBZSA-N 1 1 262.309 1.921 20 5 CDBDMO COCC[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000903838141 626110301 /nfs/dbraw/zinc/11/03/01/626110301.db2.gz VJVXJSYXPPFORC-GFCCVEGCSA-N 1 1 295.339 1.111 20 5 CDBDMO Cc1ccccc1[C@H]([C@H](C)[NH2+]CC[N+](=O)[O-])N(C)C ZINC000905231396 626686036 /nfs/dbraw/zinc/68/60/36/626686036.db2.gz SSBDMGWTXXAWFN-JSGCOSHPSA-N 1 1 265.357 1.853 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030307 632132806 /nfs/dbraw/zinc/13/28/06/632132806.db2.gz XLKCUNDNJPFDDZ-LBPRGKRZSA-N 1 1 277.324 1.601 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000923301890 677729021 /nfs/dbraw/zinc/72/90/21/677729021.db2.gz KWXASRFFZWJEPR-WDEREUQCSA-N 1 1 295.364 1.965 20 5 CDBDMO C[C@H](O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094835 677812133 /nfs/dbraw/zinc/81/21/33/677812133.db2.gz PGJRVGKOISUIDY-IINYFYTJSA-N 1 1 280.324 1.473 20 5 CDBDMO Cc1c(-c2nc(C[NH3+])no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000842650706 677844888 /nfs/dbraw/zinc/84/48/88/677844888.db2.gz GOHZKROEGFPUCD-UHFFFAOYSA-N 1 1 293.239 1.629 20 5 CDBDMO CNC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248304 677918683 /nfs/dbraw/zinc/91/86/83/677918683.db2.gz CVZTYXMPUVENBX-LBPRGKRZSA-N 1 1 292.383 1.761 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000883162676 677920824 /nfs/dbraw/zinc/92/08/24/677920824.db2.gz AEJOCVUKZFTLRP-ZDUSSCGKSA-N 1 1 292.339 1.488 20 5 CDBDMO COCCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579649 678050614 /nfs/dbraw/zinc/05/06/14/678050614.db2.gz OXPONMFRVHLSJG-ZDUSSCGKSA-N 1 1 268.313 1.597 20 5 CDBDMO C[N@@H+](CCNc1ccsc1[N+](=O)[O-])CCOCCO ZINC000882950869 678193150 /nfs/dbraw/zinc/19/31/50/678193150.db2.gz DMUGLGQVQXGIKE-UHFFFAOYSA-N 1 1 289.357 1.009 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000882492446 678292099 /nfs/dbraw/zinc/29/20/99/678292099.db2.gz SIOSKJGCCRFIRN-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000882494639 678395205 /nfs/dbraw/zinc/39/52/05/678395205.db2.gz SYFDFDUTMMTCJG-SNVBAGLBSA-N 1 1 257.334 1.032 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000838149865 678470186 /nfs/dbraw/zinc/47/01/86/678470186.db2.gz QEALHNUTHOCCJN-GFCCVEGCSA-N 1 1 285.388 1.670 20 5 CDBDMO C[C@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844448740 678480259 /nfs/dbraw/zinc/48/02/59/678480259.db2.gz GSLUKQIJYJOGGF-SECBINFHSA-N 1 1 283.284 1.706 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844448740 678480261 /nfs/dbraw/zinc/48/02/61/678480261.db2.gz GSLUKQIJYJOGGF-SECBINFHSA-N 1 1 283.284 1.706 20 5 CDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000050273134 678688259 /nfs/dbraw/zinc/68/82/59/678688259.db2.gz NXBWXPXGQPZXNM-JTQLQIEISA-N 1 1 290.323 1.144 20 5 CDBDMO CC[NH2+][C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000863675809 678768438 /nfs/dbraw/zinc/76/84/38/678768438.db2.gz ZOSGVGGGDGOGCA-MRVPVSSYSA-N 1 1 256.306 1.728 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(F)(F)CC2)c1 ZINC000796539747 678808348 /nfs/dbraw/zinc/80/83/48/678808348.db2.gz DRIATVXHKRTCOD-UHFFFAOYSA-N 1 1 260.244 1.522 20 5 CDBDMO C[C@@H](C[NH+](C)C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819308564 678903769 /nfs/dbraw/zinc/90/37/69/678903769.db2.gz AYSDDDNCHZBCRA-GWCFXTLKSA-N 1 1 267.329 1.168 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000866096560 678925041 /nfs/dbraw/zinc/92/50/41/678925041.db2.gz CVRATFROWZODKV-SNVBAGLBSA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866096560 678925044 /nfs/dbraw/zinc/92/50/44/678925044.db2.gz CVRATFROWZODKV-SNVBAGLBSA-N 1 1 295.314 1.439 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818971904 678949626 /nfs/dbraw/zinc/94/96/26/678949626.db2.gz RSYQZFUPADWILN-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818971904 678949627 /nfs/dbraw/zinc/94/96/27/678949627.db2.gz RSYQZFUPADWILN-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000778267223 678965814 /nfs/dbraw/zinc/96/58/14/678965814.db2.gz CECLBYOSBOVYNC-TZMCWYRMSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1nn(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840152483 678995077 /nfs/dbraw/zinc/99/50/77/678995077.db2.gz NFYBIAHNKQLYOJ-ZDUSSCGKSA-N 1 1 295.387 1.780 20 5 CDBDMO CN1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])CCC1=O ZINC000821323516 679063255 /nfs/dbraw/zinc/06/32/55/679063255.db2.gz ZUNHZFJFKRRAPE-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO CN1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])CCC1=O ZINC000821323516 679063258 /nfs/dbraw/zinc/06/32/58/679063258.db2.gz ZUNHZFJFKRRAPE-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000823055718 679159977 /nfs/dbraw/zinc/15/99/77/679159977.db2.gz RQUZINXSMLIZDI-JTQLQIEISA-N 1 1 271.361 1.421 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886179252 679382591 /nfs/dbraw/zinc/38/25/91/679382591.db2.gz QIQUTEBSFDTCBI-JTQLQIEISA-N 1 1 251.286 1.193 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886179252 679382590 /nfs/dbraw/zinc/38/25/90/679382590.db2.gz QIQUTEBSFDTCBI-JTQLQIEISA-N 1 1 251.286 1.193 20 5 CDBDMO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839777525 679474291 /nfs/dbraw/zinc/47/42/91/679474291.db2.gz ITUIDGNZHJYWFO-VXGBXAGGSA-N 1 1 269.345 1.034 20 5 CDBDMO CNC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000853248301 679514479 /nfs/dbraw/zinc/51/44/79/679514479.db2.gz CVZTYXMPUVENBX-GFCCVEGCSA-N 1 1 292.383 1.761 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640729 719169340 /nfs/dbraw/zinc/16/93/40/719169340.db2.gz VQKICMSQCNPADU-UWVGGRQHSA-N 1 1 250.302 1.519 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218231912 898498414 /nfs/dbraw/zinc/49/84/14/898498414.db2.gz NRBVQIKSPIUQMR-SNVBAGLBSA-N 1 1 258.224 1.889 20 5 CDBDMO Nc1cc(N[C@H]2CC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161177790 936412796 /nfs/dbraw/zinc/41/27/96/936412796.db2.gz UIRBVYFGKMGUMV-VIFPVBQESA-N 1 1 277.328 1.611 20 5 CDBDMO COc1cc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162341505 922356267 /nfs/dbraw/zinc/35/62/67/922356267.db2.gz MFHAOBCCXAGZOE-CYBMUJFWSA-N 1 1 280.328 1.895 20 5 CDBDMO [NH3+]Cc1ccnn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001162597043 922794829 /nfs/dbraw/zinc/79/48/29/922794829.db2.gz AZWBFEVFPIZZIN-UHFFFAOYSA-N 1 1 258.241 1.116 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC001169005777 927608871 /nfs/dbraw/zinc/60/88/71/927608871.db2.gz DALRJLIGSBKSHK-MXWKQRLJSA-N 1 1 278.299 1.381 20 5 CDBDMO CCN(CC)CC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006021 927609123 /nfs/dbraw/zinc/60/91/23/927609123.db2.gz FJTVKSDQABLALB-CHWSQXEVSA-N 1 1 257.378 1.705 20 5 CDBDMO CC[NH+](CC)CCN(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006021 927609127 /nfs/dbraw/zinc/60/91/27/927609127.db2.gz FJTVKSDQABLALB-CHWSQXEVSA-N 1 1 257.378 1.705 20 5 CDBDMO CCN1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006010 927609497 /nfs/dbraw/zinc/60/94/97/927609497.db2.gz FDZWYQYUCKQURB-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@@H+]1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006010 927609503 /nfs/dbraw/zinc/60/95/03/927609503.db2.gz FDZWYQYUCKQURB-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@H+]1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006010 927609509 /nfs/dbraw/zinc/60/95/09/927609509.db2.gz FDZWYQYUCKQURB-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO CN1CCC([N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007974 927611616 /nfs/dbraw/zinc/61/16/16/927611616.db2.gz QBZSUBUZSNKNAP-YPMHNXCESA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CCCO3)C2)C1 ZINC001169012178 927616179 /nfs/dbraw/zinc/61/61/79/927616179.db2.gz OOFBYPMFXPTOOU-FRRDWIJNSA-N 1 1 254.330 1.687 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014007 927619279 /nfs/dbraw/zinc/61/92/79/927619279.db2.gz XSMNURVRLUWRBK-NDBYEHHHSA-N 1 1 254.330 1.400 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCn3cncc3C2)C1 ZINC001169037481 927647332 /nfs/dbraw/zinc/64/73/32/927647332.db2.gz RYJJQJCPHQFXMA-MNOVXSKESA-N 1 1 250.302 1.144 20 5 CDBDMO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040239 927654639 /nfs/dbraw/zinc/65/46/39/927654639.db2.gz ZBGOGPPVEKEVJZ-JHJVBQTASA-N 1 1 254.330 1.733 20 5 CDBDMO CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025870 927667207 /nfs/dbraw/zinc/66/72/07/927667207.db2.gz ZNZDCFASTFRLGW-YDHLFZDLSA-N 1 1 295.383 1.519 20 5 CDBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]12 ZINC001169057947 927675966 /nfs/dbraw/zinc/67/59/66/927675966.db2.gz ZIBRYQDQRMZTER-FDYHWXHSSA-N 1 1 266.341 1.733 20 5 CDBDMO COc1cnc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC001157266478 929410631 /nfs/dbraw/zinc/41/06/31/929410631.db2.gz SXJNPVLVEUSCOF-GWCFXTLKSA-N 1 1 292.339 1.529 20 5 CDBDMO CC[N@H+](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350511 930460413 /nfs/dbraw/zinc/46/04/13/930460413.db2.gz BNTQVPDRWCYJIQ-HNNXBMFYSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[N@@H+](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350511 930460420 /nfs/dbraw/zinc/46/04/20/930460420.db2.gz BNTQVPDRWCYJIQ-HNNXBMFYSA-N 1 1 293.367 1.702 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159785834 930849583 /nfs/dbraw/zinc/84/95/83/930849583.db2.gz UENPHPZAGQETES-SCSAIBSYSA-N 1 1 295.130 1.127 20 5 CDBDMO Cc1ccnc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157259689 938470556 /nfs/dbraw/zinc/47/05/56/938470556.db2.gz FJPFYHBNHUGPHO-RYUDHWBXSA-N 1 1 276.340 1.829 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001159739981 938748656 /nfs/dbraw/zinc/74/86/56/938748656.db2.gz VTKBUGOJMVWMBG-VIFPVBQESA-N 1 1 260.681 1.112 20 5 CDBDMO Cc1nc(-n2cc(CC[NH3+])c3cnccc32)ncc1[N+](=O)[O-] ZINC001160951750 938849088 /nfs/dbraw/zinc/84/90/88/938849088.db2.gz KPEVPOILGUWUHK-UHFFFAOYSA-N 1 1 298.306 1.533 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001163774677 939328195 /nfs/dbraw/zinc/32/81/95/939328195.db2.gz PAOQPVLQJNYAAH-UHFFFAOYSA-N 1 1 280.328 1.530 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001165149180 939519155 /nfs/dbraw/zinc/51/91/55/939519155.db2.gz NQQJBTWMMSHCTL-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225598930 941886835 /nfs/dbraw/zinc/88/68/35/941886835.db2.gz ZAWQBCBVHASEQP-VIFPVBQESA-N 1 1 281.268 1.894 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712175 942054356 /nfs/dbraw/zinc/05/43/56/942054356.db2.gz IZIDFRWRVYMESI-LLVKDONJSA-N 1 1 267.285 1.089 20 5 CDBDMO CC(=O)c1cccc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001229130876 942423343 /nfs/dbraw/zinc/42/33/43/942423343.db2.gz FEOJMRAEWNNVHR-SNVBAGLBSA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1cccc(O[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001229130876 942423344 /nfs/dbraw/zinc/42/33/44/942423344.db2.gz FEOJMRAEWNNVHR-SNVBAGLBSA-N 1 1 264.281 1.880 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229362171 942459575 /nfs/dbraw/zinc/45/95/75/942459575.db2.gz QYPSEABPKNMTSR-VIFPVBQESA-N 1 1 290.279 1.327 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871924 942718195 /nfs/dbraw/zinc/71/81/95/942718195.db2.gz HTVNTMOQMBWKMI-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1C ZINC001262697565 943673459 /nfs/dbraw/zinc/67/34/59/943673459.db2.gz RIXPEVJNFAIPHI-DTORHVGOSA-N 1 1 265.317 1.101 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001234900339 943968650 /nfs/dbraw/zinc/96/86/50/943968650.db2.gz IXSBTTHKPLFBSE-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001234900339 943968654 /nfs/dbraw/zinc/96/86/54/943968654.db2.gz IXSBTTHKPLFBSE-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN(C)CCO ZINC001254548960 947522896 /nfs/dbraw/zinc/52/28/96/947522896.db2.gz OJXBMNLLJGXFIL-CYBMUJFWSA-N 1 1 295.383 1.430 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(O)C1 ZINC001254553834 947525912 /nfs/dbraw/zinc/52/59/12/947525912.db2.gz ZQIUUIKSIBOBNI-RISCZKNCSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CN(C)C2)C1 ZINC001254571649 947530271 /nfs/dbraw/zinc/53/02/71/947530271.db2.gz ZTCNKIWAYIIXGJ-GFCCVEGCSA-N 1 1 275.352 1.773 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001254594594 947546152 /nfs/dbraw/zinc/54/61/52/947546152.db2.gz RSFWVMCOHTVFGX-ZIAGYGMSSA-N 1 1 262.309 1.519 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001254600245 947551098 /nfs/dbraw/zinc/55/10/98/947551098.db2.gz RFYPLHNGOUHZTC-UONOGXRCSA-N 1 1 262.309 1.519 20 5 CDBDMO [NH3+][C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC1 ZINC001247833048 948811474 /nfs/dbraw/zinc/81/14/74/948811474.db2.gz UAICTIHWFRASFE-MRVPVSSYSA-N 1 1 279.231 1.589 20 5 CDBDMO O=C1CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001326711399 954505724 /nfs/dbraw/zinc/50/57/24/954505724.db2.gz XNDJNLXXLSVMER-LBPRGKRZSA-N 1 1 275.308 1.232 20 5 CDBDMO O=C1CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001326711399 954505735 /nfs/dbraw/zinc/50/57/35/954505735.db2.gz XNDJNLXXLSVMER-LBPRGKRZSA-N 1 1 275.308 1.232 20 5 CDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065462 956466692 /nfs/dbraw/zinc/46/66/92/956466692.db2.gz ALFKLWKJXXPLHK-LEWSCRJBSA-N 1 1 280.324 1.473 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC001333208098 958158364 /nfs/dbraw/zinc/15/83/64/958158364.db2.gz JQRNRHDAZPARRG-LBPRGKRZSA-N 1 1 250.298 1.664 20 5 CDBDMO Cn1cc[nH+]c1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001337666828 961347556 /nfs/dbraw/zinc/34/75/56/961347556.db2.gz IRNOFOFXCKXLHR-UHFFFAOYSA-N 1 1 294.286 1.614 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001341416475 963407210 /nfs/dbraw/zinc/40/72/10/963407210.db2.gz WYHJOQKOFPSSSR-LBPRGKRZSA-N 1 1 278.312 1.098 20 5 CDBDMO CCc1nn(C)c(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000091560632 1174299594 /nfs/dbraw/zinc/29/95/94/1174299594.db2.gz QUIGFFVEZWBVRM-UHFFFAOYSA-N 1 1 278.316 1.279 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(CO)CC3)c2c1 ZINC000601123598 342471337 /nfs/dbraw/zinc/47/13/37/342471337.db2.gz FYZZYYVHJDMKRL-UHFFFAOYSA-N 1 1 273.292 1.749 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601187077 342489466 /nfs/dbraw/zinc/48/94/66/342489466.db2.gz 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C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513043 278351997 /nfs/dbraw/zinc/35/19/97/278351997.db2.gz BYFFCISWCBLYRP-MFKMUULPSA-N 1 1 265.313 1.234 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802462 279030206 /nfs/dbraw/zinc/03/02/06/279030206.db2.gz PLAUWKLVDMKZCA-NSHDSACASA-N 1 1 294.355 1.907 20 5 CDBDMO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795117 280014689 /nfs/dbraw/zinc/01/46/89/280014689.db2.gz ZAUYEQCUJISKJM-VHSXEESVSA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245597934 280223270 /nfs/dbraw/zinc/22/32/70/280223270.db2.gz SVCGOLMPXGARML-QWRGUYRKSA-N 1 1 265.313 1.487 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861992 280388544 /nfs/dbraw/zinc/38/85/44/280388544.db2.gz ADVGSFHOMLWNFL-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO [NH3+]CC(F)(F)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583091169 325105326 /nfs/dbraw/zinc/10/53/26/325105326.db2.gz 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COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000186914467 536772380 /nfs/dbraw/zinc/77/23/80/536772380.db2.gz XVUUAJDKNAPCHY-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000186914467 536772387 /nfs/dbraw/zinc/77/23/87/536772387.db2.gz XVUUAJDKNAPCHY-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742195643 575990807 /nfs/dbraw/zinc/99/08/07/575990807.db2.gz HAYCKTFXWXDOIC-JTQLQIEISA-N 1 1 263.297 1.371 20 5 CDBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742195643 575990808 /nfs/dbraw/zinc/99/08/08/575990808.db2.gz HAYCKTFXWXDOIC-JTQLQIEISA-N 1 1 263.297 1.371 20 5 CDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738081469 576036971 /nfs/dbraw/zinc/03/69/71/576036971.db2.gz LAJHJDUBJTZMPE-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000931706528 617680515 /nfs/dbraw/zinc/68/05/15/617680515.db2.gz GAOMMKKLXRYJHC-ZDUSSCGKSA-N 1 1 260.297 1.491 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCOCC1 ZINC000893382890 617764251 /nfs/dbraw/zinc/76/42/51/617764251.db2.gz LMHKSHOGAKBJSR-UHFFFAOYSA-N 1 1 296.327 1.133 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCCOCC1 ZINC000893382890 617764256 /nfs/dbraw/zinc/76/42/56/617764256.db2.gz LMHKSHOGAKBJSR-UHFFFAOYSA-N 1 1 296.327 1.133 20 5 CDBDMO CC[N@H+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C[C@@H]1C ZINC000892972383 618001821 /nfs/dbraw/zinc/00/18/21/618001821.db2.gz XXXSXDSRLGBPLE-VIFPVBQESA-N 1 1 291.311 1.661 20 5 CDBDMO Cc1c(-c2noc(C3([NH3+])CC3)n2)cccc1[N+](=O)[O-] ZINC000843237989 618063414 /nfs/dbraw/zinc/06/34/14/618063414.db2.gz KAAISCFELIIZGA-UHFFFAOYSA-N 1 1 260.253 1.901 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938224 618199589 /nfs/dbraw/zinc/19/95/89/618199589.db2.gz CIZJBCQRTWCXRB-LDYMZIIASA-N 1 1 282.731 1.784 20 5 CDBDMO CON(C)C(=O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000895039662 619214972 /nfs/dbraw/zinc/21/49/72/619214972.db2.gz UVKYIUZTYHMYCH-UHFFFAOYSA-N 1 1 295.339 1.828 20 5 CDBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928566834 619403564 /nfs/dbraw/zinc/40/35/64/619403564.db2.gz FHDISENZZHSZSQ-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928566834 619403569 /nfs/dbraw/zinc/40/35/69/619403569.db2.gz FHDISENZZHSZSQ-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245966 619491957 /nfs/dbraw/zinc/49/19/57/619491957.db2.gz KSAMRHORHAZNOH-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895245966 619491961 /nfs/dbraw/zinc/49/19/61/619491961.db2.gz KSAMRHORHAZNOH-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895245966 619491965 /nfs/dbraw/zinc/49/19/65/619491965.db2.gz KSAMRHORHAZNOH-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925311036 620981259 /nfs/dbraw/zinc/98/12/59/620981259.db2.gz CENLGBHARAMWNH-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000151241441 630433186 /nfs/dbraw/zinc/43/31/86/630433186.db2.gz UDSNBXMBMVFFIK-ZDUSSCGKSA-N 1 1 280.328 1.478 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000151241441 630433190 /nfs/dbraw/zinc/43/31/90/630433190.db2.gz UDSNBXMBMVFFIK-ZDUSSCGKSA-N 1 1 280.328 1.478 20 5 CDBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cccnc1[N+](=O)[O-] ZINC000917394725 632205409 /nfs/dbraw/zinc/20/54/09/632205409.db2.gz AGUQOLUBKXDEDO-VIFPVBQESA-N 1 1 262.269 1.861 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882486037 679798618 /nfs/dbraw/zinc/79/86/18/679798618.db2.gz OBYHTAPGCKBEQA-LBPRGKRZSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886575026 679803849 /nfs/dbraw/zinc/80/38/49/679803849.db2.gz CBTPMOKWPHGHOB-PMOUVXMZSA-N 1 1 292.335 1.331 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000791051338 681575845 /nfs/dbraw/zinc/57/58/45/681575845.db2.gz BCSTVOQPIAWRMB-AWEZNQCLSA-N 1 1 264.325 1.635 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832781256 681814389 /nfs/dbraw/zinc/81/43/89/681814389.db2.gz AIMDAXALYIWMIM-WFASDCNBSA-N 1 1 294.351 1.723 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC000840152805 681848949 /nfs/dbraw/zinc/84/89/49/681848949.db2.gz OFHJHIIOQVNNLH-LLVKDONJSA-N 1 1 267.333 1.163 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(C[NH3+])CCCCC1 ZINC000883454141 681868206 /nfs/dbraw/zinc/86/82/06/681868206.db2.gz QIFBYQSFCPZAJY-UHFFFAOYSA-N 1 1 281.360 1.385 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(CN)CCCCC1 ZINC000883454141 681868210 /nfs/dbraw/zinc/86/82/10/681868210.db2.gz QIFBYQSFCPZAJY-UHFFFAOYSA-N 1 1 281.360 1.385 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(CN)CCCCC1 ZINC000883454141 681868211 /nfs/dbraw/zinc/86/82/11/681868211.db2.gz QIFBYQSFCPZAJY-UHFFFAOYSA-N 1 1 281.360 1.385 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880299821 681881553 /nfs/dbraw/zinc/88/15/53/681881553.db2.gz YBJWMKFJJXBESF-RYUDHWBXSA-N 1 1 298.314 1.626 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886284260 682160593 /nfs/dbraw/zinc/16/05/93/682160593.db2.gz RQCLETXJGOFMBP-CMPLNLGQSA-N 1 1 293.323 1.621 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886284260 682160598 /nfs/dbraw/zinc/16/05/98/682160598.db2.gz RQCLETXJGOFMBP-CMPLNLGQSA-N 1 1 293.323 1.621 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000931177966 682244487 /nfs/dbraw/zinc/24/44/87/682244487.db2.gz YRATYKGPRBAVAT-CYBMUJFWSA-N 1 1 250.298 1.247 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000931177966 682244504 /nfs/dbraw/zinc/24/45/04/682244504.db2.gz YRATYKGPRBAVAT-CYBMUJFWSA-N 1 1 250.298 1.247 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000776591361 682263689 /nfs/dbraw/zinc/26/36/89/682263689.db2.gz OBFSZVBSRCNDPY-ZIAGYGMSSA-N 1 1 296.367 1.967 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000882479098 682344334 /nfs/dbraw/zinc/34/43/34/682344334.db2.gz MQIOQEKOBPQMOI-NSHDSACASA-N 1 1 292.339 1.461 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@]1(CO)CCOC1 ZINC000801538402 682352335 /nfs/dbraw/zinc/35/23/35/682352335.db2.gz FPAOARXUEMGGRU-ZDUSSCGKSA-N 1 1 284.287 1.317 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@]1(CO)CCOC1 ZINC000801538402 682352340 /nfs/dbraw/zinc/35/23/40/682352340.db2.gz FPAOARXUEMGGRU-ZDUSSCGKSA-N 1 1 284.287 1.317 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CCn3cc[nH+]c32)cc1F ZINC000931522239 682390549 /nfs/dbraw/zinc/39/05/49/682390549.db2.gz XGTYORVAKMSQEM-UHFFFAOYSA-N 1 1 262.244 1.951 20 5 CDBDMO COC[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000930506890 682541071 /nfs/dbraw/zinc/54/10/71/682541071.db2.gz ZKLQZJXKYBALCN-NSHDSACASA-N 1 1 258.705 1.894 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C[N@@H+]1C ZINC000787202413 682541381 /nfs/dbraw/zinc/54/13/81/682541381.db2.gz KSDWNDHOSZGQLI-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C[N@H+]1C ZINC000787202413 682541392 /nfs/dbraw/zinc/54/13/92/682541392.db2.gz KSDWNDHOSZGQLI-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO Cc1noc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1[N+](=O)[O-] ZINC000851743923 682606948 /nfs/dbraw/zinc/60/69/48/682606948.db2.gz VFTUUYWBJHSGAE-UHFFFAOYSA-N 1 1 291.311 1.994 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1CO ZINC000886295718 682628020 /nfs/dbraw/zinc/62/80/20/682628020.db2.gz IMJKWHOYMUPTOR-CMPLNLGQSA-N 1 1 265.313 1.440 20 5 CDBDMO Cc1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824873 682700984 /nfs/dbraw/zinc/70/09/84/682700984.db2.gz KRBCUDIMASFGPW-VXGBXAGGSA-N 1 1 292.339 1.573 20 5 CDBDMO CC(C)(CCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC000835395501 682708822 /nfs/dbraw/zinc/70/88/22/682708822.db2.gz GMVJDBKLDLOMTD-NEPJUHHUSA-N 1 1 284.356 1.992 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCN(C=O)CC1 ZINC000877641679 682723429 /nfs/dbraw/zinc/72/34/29/682723429.db2.gz FFFFVEANXPDOLH-UHFFFAOYSA-N 1 1 291.351 1.876 20 5 CDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249566 682802360 /nfs/dbraw/zinc/80/23/60/682802360.db2.gz NLSIQDYHCZRGLG-JQWIXIFHSA-N 1 1 265.313 1.583 20 5 CDBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546334 682834017 /nfs/dbraw/zinc/83/40/17/682834017.db2.gz PQFODODAHYVPBA-AAEUAGOBSA-N 1 1 282.344 1.884 20 5 CDBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546334 682834020 /nfs/dbraw/zinc/83/40/20/682834020.db2.gz PQFODODAHYVPBA-AAEUAGOBSA-N 1 1 282.344 1.884 20 5 CDBDMO CC[C@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306982 682869389 /nfs/dbraw/zinc/86/93/89/682869389.db2.gz GXIKGVAUUDJZDU-ZDUSSCGKSA-N 1 1 265.313 1.727 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306982 682869391 /nfs/dbraw/zinc/86/93/91/682869391.db2.gz GXIKGVAUUDJZDU-ZDUSSCGKSA-N 1 1 265.313 1.727 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000776272271 683390600 /nfs/dbraw/zinc/39/06/00/683390600.db2.gz SJMHCOUJQDWWAP-BXUZGUMPSA-N 1 1 280.324 1.333 20 5 CDBDMO CCOC1CC([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886206638 683485447 /nfs/dbraw/zinc/48/54/47/683485447.db2.gz ZJNJGMFBMWUZLR-UHFFFAOYSA-N 1 1 265.313 1.989 20 5 CDBDMO CCOC1CC([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886206638 683485452 /nfs/dbraw/zinc/48/54/52/683485452.db2.gz ZJNJGMFBMWUZLR-UHFFFAOYSA-N 1 1 265.313 1.989 20 5 CDBDMO CCOCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606467 683646806 /nfs/dbraw/zinc/64/68/06/683646806.db2.gz WYVUOWGQPLRBJH-ZDUSSCGKSA-N 1 1 268.313 1.597 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842830146 683651228 /nfs/dbraw/zinc/65/12/28/683651228.db2.gz SRKKNJYMKAFORU-QJPTWQEYSA-N 1 1 270.329 1.315 20 5 CDBDMO CC(C)[N@@H+]1CCC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842830146 683651238 /nfs/dbraw/zinc/65/12/38/683651238.db2.gz SRKKNJYMKAFORU-QJPTWQEYSA-N 1 1 270.329 1.315 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842830146 683651249 /nfs/dbraw/zinc/65/12/49/683651249.db2.gz SRKKNJYMKAFORU-QJPTWQEYSA-N 1 1 270.329 1.315 20 5 CDBDMO CC[N@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1C ZINC000865638947 683681848 /nfs/dbraw/zinc/68/18/48/683681848.db2.gz JSHZYNVEYBZHBW-JTQLQIEISA-N 1 1 297.330 1.757 20 5 CDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269320 683849747 /nfs/dbraw/zinc/84/97/47/683849747.db2.gz GKKDFUYICAKDRI-ZCFIWIBFSA-N 1 1 296.239 1.191 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000877592057 683852901 /nfs/dbraw/zinc/85/29/01/683852901.db2.gz KRQHCYIZIVQFKQ-SWLSCSKDSA-N 1 1 294.351 1.387 20 5 CDBDMO O=C(OCCC[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672721 683866828 /nfs/dbraw/zinc/86/68/28/683866828.db2.gz FDCNBTHTLLYMPK-GHMZBOCLSA-N 1 1 256.302 1.071 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559233 683937314 /nfs/dbraw/zinc/93/73/14/683937314.db2.gz HJLYJFKJMJDNEM-LERXQTSPSA-N 1 1 280.324 1.473 20 5 CDBDMO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839685221 684080333 /nfs/dbraw/zinc/08/03/33/684080333.db2.gz PBBPIBBDSZYSBN-GMTAPVOTSA-N 1 1 271.361 1.134 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832869929 684275352 /nfs/dbraw/zinc/27/53/52/684275352.db2.gz AIMSHMSROPGSNK-HNNXBMFYSA-N 1 1 297.399 1.766 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000776583314 684293173 /nfs/dbraw/zinc/29/31/73/684293173.db2.gz ZRLXRMWLEOJJLO-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO [NH3+][C@@H]1CCc2nn(-c3ccc4[nH]cnc4c3[N+](=O)[O-])cc2C1 ZINC001168821968 1161988917 /nfs/dbraw/zinc/98/89/17/1161988917.db2.gz UMTFJYPVWIAZTE-SECBINFHSA-N 1 1 298.306 1.473 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(O)C1 ZINC001173221182 912304474 /nfs/dbraw/zinc/30/44/74/912304474.db2.gz GDTGCFAUWCUNCL-RISCZKNCSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@](C)(O)C1 ZINC001173221425 912306525 /nfs/dbraw/zinc/30/65/25/912306525.db2.gz IHOZSAHFMDOSII-SWLSCSKDSA-N 1 1 294.351 1.609 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173225772 912316882 /nfs/dbraw/zinc/31/68/82/912316882.db2.gz GCQCVWARJAJWDF-NSHDSACASA-N 1 1 279.340 1.594 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001173230238 912328941 /nfs/dbraw/zinc/32/89/41/912328941.db2.gz DFOPBJMORBZJQC-UGFHNGPFSA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001173230238 912328955 /nfs/dbraw/zinc/32/89/55/912328955.db2.gz DFOPBJMORBZJQC-UGFHNGPFSA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001173230238 912328976 /nfs/dbraw/zinc/32/89/76/912328976.db2.gz DFOPBJMORBZJQC-UGFHNGPFSA-N 1 1 275.352 1.914 20 5 CDBDMO COc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226582062 905357147 /nfs/dbraw/zinc/35/71/47/905357147.db2.gz VJFXCCCEQYIZAM-SNVBAGLBSA-N 1 1 281.312 1.860 20 5 CDBDMO CCOc1cc(-n2cnc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC001168757246 922787542 /nfs/dbraw/zinc/78/75/42/922787542.db2.gz UBDSRWDDMHJOLD-UHFFFAOYSA-N 1 1 263.257 1.033 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047433 925617435 /nfs/dbraw/zinc/61/74/35/925617435.db2.gz SQWXHKMZKIZDHC-SSDOTTSWSA-N 1 1 270.744 1.480 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000828304143 926096147 /nfs/dbraw/zinc/09/61/47/926096147.db2.gz CRZFLDNVNKDAND-LLVKDONJSA-N 1 1 297.742 1.862 20 5 CDBDMO CCOC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168955501 927578111 /nfs/dbraw/zinc/57/81/11/927578111.db2.gz AXYGQSQRSZEYOK-VXGBXAGGSA-N 1 1 284.356 1.897 20 5 CDBDMO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963978 927586298 /nfs/dbraw/zinc/58/62/98/927586298.db2.gz RBPOMRRUNXDEIP-GARJFASQSA-N 1 1 258.318 1.362 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168970726 927594591 /nfs/dbraw/zinc/59/45/91/927594591.db2.gz ISGPTWFAOXDUCN-MNOVXSKESA-N 1 1 270.329 1.507 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001169007140 927610856 /nfs/dbraw/zinc/61/08/56/927610856.db2.gz LKHSZSHRFHZMNS-ZOBORPQBSA-N 1 1 268.357 1.933 20 5 CDBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H]1CO ZINC001169011407 927617648 /nfs/dbraw/zinc/61/76/48/927617648.db2.gz KEHIELMOPGUKND-LPWJVIDDSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3ncccc3C2)C1 ZINC001169034532 927642302 /nfs/dbraw/zinc/64/23/02/927642302.db2.gz HKBXNNWRIFSLDO-YPMHNXCESA-N 1 1 261.325 1.885 20 5 CDBDMO CC(C)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036994 927648074 /nfs/dbraw/zinc/64/80/74/927648074.db2.gz HUOAMXGRFNODOW-XQQFMLRXSA-N 1 1 256.346 1.789 20 5 CDBDMO CNCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042863 927657525 /nfs/dbraw/zinc/65/75/25/927657525.db2.gz GOZVYYCVZHRIHM-NEPJUHHUSA-N 1 1 257.378 1.752 20 5 CDBDMO C[NH2+]CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042863 927657536 /nfs/dbraw/zinc/65/75/36/927657536.db2.gz GOZVYYCVZHRIHM-NEPJUHHUSA-N 1 1 257.378 1.752 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057499 927674306 /nfs/dbraw/zinc/67/43/06/927674306.db2.gz WATRSLXHYZEEAL-ZQDZILKHSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057499 927674314 /nfs/dbraw/zinc/67/43/14/927674314.db2.gz WATRSLXHYZEEAL-ZQDZILKHSA-N 1 1 299.390 1.940 20 5 CDBDMO CCN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057491 927675249 /nfs/dbraw/zinc/67/52/49/927675249.db2.gz VZTRSEFLKMPLAR-UPJWGTAASA-N 1 1 255.362 1.458 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170898278 930696457 /nfs/dbraw/zinc/69/64/57/930696457.db2.gz RQEDAXKMHRIWQE-ZETCQYMHSA-N 1 1 259.697 1.079 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001154124576 937506398 /nfs/dbraw/zinc/50/63/98/937506398.db2.gz VNRMFJPPYOWBCA-ZWNOBZJWSA-N 1 1 277.324 1.866 20 5 CDBDMO CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001154124576 937506400 /nfs/dbraw/zinc/50/64/00/937506400.db2.gz VNRMFJPPYOWBCA-ZWNOBZJWSA-N 1 1 277.324 1.866 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CC=CC2)c(F)c1 ZINC001117942647 937571761 /nfs/dbraw/zinc/57/17/61/937571761.db2.gz BRCOYSUUXABYIC-UHFFFAOYSA-N 1 1 252.249 1.413 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001157270875 938473565 /nfs/dbraw/zinc/47/35/65/938473565.db2.gz GMGTXMJVSDVRJC-AAEUAGOBSA-N 1 1 292.339 1.067 20 5 CDBDMO CN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001164206740 939430045 /nfs/dbraw/zinc/43/00/45/939430045.db2.gz AQSUYKRNCSRSFN-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C)C1 ZINC001225446836 941860665 /nfs/dbraw/zinc/86/06/65/941860665.db2.gz FEUFFDFYSGYCJC-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226757882 942063677 /nfs/dbraw/zinc/06/36/77/942063677.db2.gz YKACLSNEPVMGGB-SNVBAGLBSA-N 1 1 269.276 1.992 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228609534 942342316 /nfs/dbraw/zinc/34/23/16/942342316.db2.gz DRBRCDNYQIMROZ-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233696887 943642294 /nfs/dbraw/zinc/64/22/94/943642294.db2.gz VEUILBUWEQZQFQ-MRVPVSSYSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233696887 943642297 /nfs/dbraw/zinc/64/22/97/943642297.db2.gz VEUILBUWEQZQFQ-MRVPVSSYSA-N 1 1 258.224 1.956 20 5 CDBDMO COC(=O)c1cnc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001233859459 943674239 /nfs/dbraw/zinc/67/42/39/943674239.db2.gz MNLBZBDYIZHLOT-SNVBAGLBSA-N 1 1 295.295 1.249 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001254550400 947520043 /nfs/dbraw/zinc/52/00/43/947520043.db2.gz JALCWKFRAFAJDN-AAEUAGOBSA-N 1 1 291.351 1.723 20 5 CDBDMO CN(C)C(=O)CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602858 947552957 /nfs/dbraw/zinc/55/29/57/947552957.db2.gz JIBWMVIAHOSHBZ-CQSZACIVSA-N 1 1 291.351 1.472 20 5 CDBDMO CN1CC2(C1)C[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610183 947555024 /nfs/dbraw/zinc/55/50/24/947555024.db2.gz ICFRCACKPFQNAB-AWEZNQCLSA-N 1 1 273.336 1.309 20 5 CDBDMO C[C@]1(CN)CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583297 948314315 /nfs/dbraw/zinc/31/43/15/948314315.db2.gz JIPIBINNPPKCSN-HZSPNIEDSA-N 1 1 269.389 1.883 20 5 CDBDMO C[C@]1(CN)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246583297 948314323 /nfs/dbraw/zinc/31/43/23/948314323.db2.gz JIPIBINNPPKCSN-HZSPNIEDSA-N 1 1 269.389 1.883 20 5 CDBDMO CC(C)[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247499746 948650673 /nfs/dbraw/zinc/65/06/73/948650673.db2.gz WTUFBJDOBAFMRV-MRVPVSSYSA-N 1 1 281.247 1.835 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001331701080 957214593 /nfs/dbraw/zinc/21/45/93/957214593.db2.gz GHRODSAUQOICCH-AAEUAGOBSA-N 1 1 277.324 1.991 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N)[nH+]cn1 ZINC001318518639 958151465 /nfs/dbraw/zinc/15/14/65/958151465.db2.gz FWVJISZPQCDGBT-UHFFFAOYSA-N 1 1 259.269 1.603 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001336047299 960173669 /nfs/dbraw/zinc/17/36/69/960173669.db2.gz QPXGPIHNKPZBOY-JTQLQIEISA-N 1 1 278.230 1.605 20 5 CDBDMO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001336201070 960246253 /nfs/dbraw/zinc/24/62/53/960246253.db2.gz JWRGWJWNTDBPJM-NSHDSACASA-N 1 1 293.323 1.515 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001336201070 960246260 /nfs/dbraw/zinc/24/62/60/960246260.db2.gz JWRGWJWNTDBPJM-NSHDSACASA-N 1 1 293.323 1.515 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2csc([N+](=O)[O-])c2)o1 ZINC001322583454 960265594 /nfs/dbraw/zinc/26/55/94/960265594.db2.gz PUHJZSRFMGYZLD-UHFFFAOYSA-N 1 1 254.271 1.768 20 5 CDBDMO Cc1c(C(=O)O[C@H](C)C[N+](=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001343445178 963987136 /nfs/dbraw/zinc/98/71/36/963987136.db2.gz YUEKMZULNGIRKJ-SECBINFHSA-N 1 1 290.279 1.398 20 5 CDBDMO Cc1cccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267241 968586523 /nfs/dbraw/zinc/58/65/23/968586523.db2.gz XZPVGTNAKCRKOO-GXTWGEPZSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001354267241 968586538 /nfs/dbraw/zinc/58/65/38/968586538.db2.gz XZPVGTNAKCRKOO-GXTWGEPZSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001354267241 968586545 /nfs/dbraw/zinc/58/65/45/968586545.db2.gz XZPVGTNAKCRKOO-GXTWGEPZSA-N 1 1 292.383 1.949 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)CCF)c2c1 ZINC000601184286 342489162 /nfs/dbraw/zinc/48/91/62/342489162.db2.gz LHKWGKFQRHAYIM-SECBINFHSA-N 1 1 279.271 1.697 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184329 342489211 /nfs/dbraw/zinc/48/92/11/342489211.db2.gz JYTZSXRKSDXPAK-NEPJUHHUSA-N 1 1 261.325 1.983 20 5 CDBDMO CN(CCC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000592473941 342698791 /nfs/dbraw/zinc/69/87/91/342698791.db2.gz WBLSLAXCIVVGJU-UHFFFAOYSA-N 1 1 253.302 1.254 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000593029636 342755246 /nfs/dbraw/zinc/75/52/46/342755246.db2.gz WTZDGOPZHGYCAC-LBPRGKRZSA-N 1 1 277.324 1.348 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000593106691 342768674 /nfs/dbraw/zinc/76/86/74/342768674.db2.gz APUUHSGENDFBLB-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)CCO ZINC000593106691 342768675 /nfs/dbraw/zinc/76/86/75/342768675.db2.gz APUUHSGENDFBLB-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CC(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000573562354 361898072 /nfs/dbraw/zinc/89/80/72/361898072.db2.gz ZYRKPDZYFIGVLX-SNVBAGLBSA-N 1 1 265.313 1.724 20 5 CDBDMO CC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000573562354 361898078 /nfs/dbraw/zinc/89/80/78/361898078.db2.gz ZYRKPDZYFIGVLX-SNVBAGLBSA-N 1 1 265.313 1.724 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593502958 342808696 /nfs/dbraw/zinc/80/86/96/342808696.db2.gz GFKGIYMZQXAHLM-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593502958 342808697 /nfs/dbraw/zinc/80/86/97/342808697.db2.gz GFKGIYMZQXAHLM-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COCCN2)c(Cl)c1 ZINC000600679134 342242100 /nfs/dbraw/zinc/24/21/00/342242100.db2.gz ZTYQCKSHQMAJLX-SNVBAGLBSA-N 1 1 285.731 1.326 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOCC[NH3+] ZINC000600737591 342246495 /nfs/dbraw/zinc/24/64/95/342246495.db2.gz WTOKSZXYDUNBBO-LLVKDONJSA-N 1 1 267.329 1.563 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000125776198 187199649 /nfs/dbraw/zinc/19/96/49/187199649.db2.gz IHETZSPNPCATFO-UHFFFAOYSA-N 1 1 288.307 1.755 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000125776198 187199650 /nfs/dbraw/zinc/19/96/50/187199650.db2.gz IHETZSPNPCATFO-UHFFFAOYSA-N 1 1 288.307 1.755 20 5 CDBDMO Cn1cncc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289445835 342299244 /nfs/dbraw/zinc/29/92/44/342299244.db2.gz BBODWIQKFUJNJV-UHFFFAOYSA-N 1 1 252.299 1.680 20 5 CDBDMO CC(C)(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000595378922 343042598 /nfs/dbraw/zinc/04/25/98/343042598.db2.gz RTORGXACSBLGHJ-LLVKDONJSA-N 1 1 283.303 1.724 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000595344111 343043622 /nfs/dbraw/zinc/04/36/22/343043622.db2.gz LRSVFWVBOFQTAG-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1noc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595466420 343071559 /nfs/dbraw/zinc/07/15/59/343071559.db2.gz KYJFFJHGRHVVPJ-SECBINFHSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595466420 343071561 /nfs/dbraw/zinc/07/15/61/343071561.db2.gz KYJFFJHGRHVVPJ-SECBINFHSA-N 1 1 283.328 1.874 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595555364 343087634 /nfs/dbraw/zinc/08/76/34/343087634.db2.gz JREBFXLFTHBXOD-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595555364 343087635 /nfs/dbraw/zinc/08/76/35/343087635.db2.gz JREBFXLFTHBXOD-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1[N+](=O)[O-] ZINC000595560318 343098145 /nfs/dbraw/zinc/09/81/45/343098145.db2.gz AJYYYNPVLASVMA-SNVBAGLBSA-N 1 1 269.301 1.891 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1[N+](=O)[O-] ZINC000595560318 343098146 /nfs/dbraw/zinc/09/81/46/343098146.db2.gz AJYYYNPVLASVMA-SNVBAGLBSA-N 1 1 269.301 1.891 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876229 343178170 /nfs/dbraw/zinc/17/81/70/343178170.db2.gz RCFAWCDEWVPLTR-DOMZBBRYSA-N 1 1 294.351 1.924 20 5 CDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[N@@H+](C)C1CC1 ZINC000596110879 343229807 /nfs/dbraw/zinc/22/98/07/343229807.db2.gz RVNLXVDOGSSYCA-VIFPVBQESA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596177815 343261675 /nfs/dbraw/zinc/26/16/75/343261675.db2.gz HCMMVOCOGUYTTF-RKDXNWHRSA-N 1 1 265.317 1.101 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)[N@@H+]1C ZINC000596247910 343273772 /nfs/dbraw/zinc/27/37/72/343273772.db2.gz TVRAUAUZUMNJOO-AOOOYVTPSA-N 1 1 292.339 1.223 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596438946 343321801 /nfs/dbraw/zinc/32/18/01/343321801.db2.gz AQRHGASUWOKHJG-SNVBAGLBSA-N 1 1 294.355 1.773 20 5 CDBDMO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000596429541 343316091 /nfs/dbraw/zinc/31/60/91/343316091.db2.gz JWFDHTZUESSXBM-NEPJUHHUSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000596429541 343316092 /nfs/dbraw/zinc/31/60/92/343316092.db2.gz JWFDHTZUESSXBM-NEPJUHHUSA-N 1 1 294.355 1.241 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000588975859 342446652 /nfs/dbraw/zinc/44/66/52/342446652.db2.gz KTZZTSWQBJXKIL-NSHDSACASA-N 1 1 293.323 1.301 20 5 CDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000139980222 342444517 /nfs/dbraw/zinc/44/45/17/342444517.db2.gz ATDKEUWEQXFGSA-LBPRGKRZSA-N 1 1 289.335 1.870 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000535447877 282257853 /nfs/dbraw/zinc/25/78/53/282257853.db2.gz VTCCWUDYJLNUBG-LBPRGKRZSA-N 1 1 277.324 1.205 20 5 CDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000597255819 343500043 /nfs/dbraw/zinc/50/00/43/343500043.db2.gz PZODUKAUNSCFPX-UHFFFAOYSA-N 1 1 294.307 1.323 20 5 CDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CC1 ZINC000597255819 343500047 /nfs/dbraw/zinc/50/00/47/343500047.db2.gz PZODUKAUNSCFPX-UHFFFAOYSA-N 1 1 294.307 1.323 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000269669193 529939801 /nfs/dbraw/zinc/93/98/01/529939801.db2.gz QWGDNGMJLYGGIX-LLVKDONJSA-N 1 1 270.333 1.130 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704740 344548175 /nfs/dbraw/zinc/54/81/75/344548175.db2.gz HSCPQBRZCBBNHI-SECBINFHSA-N 1 1 279.296 1.939 20 5 CDBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602713801 344553811 /nfs/dbraw/zinc/55/38/11/344553811.db2.gz CXDAQZVTUPIVNS-SDQPKGBYSA-N 1 1 291.351 1.216 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000602775614 344578157 /nfs/dbraw/zinc/57/81/57/344578157.db2.gz KIBCSMAJADFHHF-PWSUYJOCSA-N 1 1 282.344 1.335 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSCC[C@H]1C ZINC000602832256 344614318 /nfs/dbraw/zinc/61/43/18/344614318.db2.gz WFHQWXLNCGLXAN-SNVBAGLBSA-N 1 1 284.385 1.927 20 5 CDBDMO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N(C)C ZINC000046065020 345619625 /nfs/dbraw/zinc/61/96/25/345619625.db2.gz JRGFTAYYAHUBNG-UHFFFAOYSA-N 1 1 295.339 1.384 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N(C)C ZINC000046065020 345619627 /nfs/dbraw/zinc/61/96/27/345619627.db2.gz JRGFTAYYAHUBNG-UHFFFAOYSA-N 1 1 295.339 1.384 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282838 362631973 /nfs/dbraw/zinc/63/19/73/362631973.db2.gz NHCKMWPNOUVQQO-NXEZZACHSA-N 1 1 282.369 1.972 20 5 CDBDMO CCO[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447908 346284437 /nfs/dbraw/zinc/28/44/37/346284437.db2.gz LVHQJGHAFRLPEB-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCn3cccn3)nc2c1 ZINC000610582066 346318860 /nfs/dbraw/zinc/31/88/60/346318860.db2.gz PBHLAPVSNWVJHF-UHFFFAOYSA-N 1 1 287.279 1.722 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087725 346603580 /nfs/dbraw/zinc/60/35/80/346603580.db2.gz FMVMEYFOURFILK-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000611084730 346604160 /nfs/dbraw/zinc/60/41/60/346604160.db2.gz OQNWXUHPJSTUNF-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccoc1 ZINC000090524923 347745341 /nfs/dbraw/zinc/74/53/41/347745341.db2.gz NVLFUWZUBKHHNX-UHFFFAOYSA-N 1 1 291.307 1.872 20 5 CDBDMO C[N@@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058858363 348871956 /nfs/dbraw/zinc/87/19/56/348871956.db2.gz DEIGGIFEHBPJKO-UHFFFAOYSA-N 1 1 292.339 1.217 20 5 CDBDMO CCCCC[N@@H+](CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548991 180001693 /nfs/dbraw/zinc/00/16/93/180001693.db2.gz XNFOMKOZKRSPHY-UHFFFAOYSA-N 1 1 297.355 1.241 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000311641891 350702157 /nfs/dbraw/zinc/70/21/57/350702157.db2.gz LBFAWAZAFQPCSZ-SECBINFHSA-N 1 1 267.333 1.713 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454322160 252342297 /nfs/dbraw/zinc/34/22/97/252342297.db2.gz JXWXHZKXUZVFLL-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111280969 186387618 /nfs/dbraw/zinc/38/76/18/186387618.db2.gz IRTQIRGSUJTNFD-UHFFFAOYSA-N 1 1 290.323 1.802 20 5 CDBDMO COc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000292280812 198229424 /nfs/dbraw/zinc/22/94/24/198229424.db2.gz BRYYHCZWFJVVLP-JQWIXIFHSA-N 1 1 280.324 1.949 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000292280812 198229425 /nfs/dbraw/zinc/22/94/25/198229425.db2.gz BRYYHCZWFJVVLP-JQWIXIFHSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158580061 188383360 /nfs/dbraw/zinc/38/33/60/188383360.db2.gz FWKBYPICWIHKAG-MGNBDDOMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158580061 188383361 /nfs/dbraw/zinc/38/33/61/188383361.db2.gz FWKBYPICWIHKAG-MGNBDDOMSA-N 1 1 270.354 1.794 20 5 CDBDMO CC[N@@H+](C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134917241 356526759 /nfs/dbraw/zinc/52/67/59/356526759.db2.gz HYMDGRHCIGDPDU-UHFFFAOYSA-N 1 1 253.302 1.967 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087957 356722589 /nfs/dbraw/zinc/72/25/89/356722589.db2.gz ZFCAUONQWXCGQD-NSHDSACASA-N 1 1 294.355 1.347 20 5 CDBDMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000048559872 356905742 /nfs/dbraw/zinc/90/57/42/356905742.db2.gz BEGCHLDNZJIGMX-MNOVXSKESA-N 1 1 281.360 1.861 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274531504 357271953 /nfs/dbraw/zinc/27/19/53/357271953.db2.gz UNCDZUAXYBHFLV-SNVBAGLBSA-N 1 1 295.343 1.229 20 5 CDBDMO O=C1OCC[C@@]12CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667154 357673745 /nfs/dbraw/zinc/67/37/45/357673745.db2.gz CBTHSZXVPFPGNB-HNNXBMFYSA-N 1 1 290.319 1.919 20 5 CDBDMO O=C1OCC[C@@]12CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667154 357673749 /nfs/dbraw/zinc/67/37/49/357673749.db2.gz CBTHSZXVPFPGNB-HNNXBMFYSA-N 1 1 290.319 1.919 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974810 283337979 /nfs/dbraw/zinc/33/79/79/283337979.db2.gz QULNLBGVQIYQER-YUTCNCBUSA-N 1 1 289.335 1.681 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287298655 358378343 /nfs/dbraw/zinc/37/83/43/358378343.db2.gz IXDRSMRZEXWZME-JTQLQIEISA-N 1 1 295.339 1.287 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287735069 359114187 /nfs/dbraw/zinc/11/41/87/359114187.db2.gz GIXWAVOGZCWCNA-MRVPVSSYSA-N 1 1 293.352 1.963 20 5 CDBDMO CCN(C)C(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359821 359118227 /nfs/dbraw/zinc/11/82/27/359118227.db2.gz ZQCCEYDNGWRCJX-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000047496250 359170588 /nfs/dbraw/zinc/17/05/88/359170588.db2.gz QSMOVBORHLMFRE-GFCCVEGCSA-N 1 1 280.324 1.950 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428602 359402372 /nfs/dbraw/zinc/40/23/72/359402372.db2.gz PUPHXSBUOIMRMM-CQSZACIVSA-N 1 1 293.371 1.246 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000332739059 359497647 /nfs/dbraw/zinc/49/76/47/359497647.db2.gz YCHQFHJLSKVTPH-JTQLQIEISA-N 1 1 268.317 1.064 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000060941410 359828838 /nfs/dbraw/zinc/82/88/38/359828838.db2.gz SKLPUGCATCXKQI-UHFFFAOYSA-N 1 1 281.287 1.558 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924605 360493282 /nfs/dbraw/zinc/49/32/82/360493282.db2.gz JGZCNHRYRRDVJD-HNNXBMFYSA-N 1 1 294.351 1.734 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112311200 360522258 /nfs/dbraw/zinc/52/22/58/360522258.db2.gz QAHPYIUNDCXALI-UHFFFAOYSA-N 1 1 297.359 1.030 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000178002554 189084736 /nfs/dbraw/zinc/08/47/36/189084736.db2.gz UYERYKVSYAAGJI-ZDUSSCGKSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191775504 361315056 /nfs/dbraw/zinc/31/50/56/361315056.db2.gz BUAPISBLKRHLET-SMDDNHRTSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000191775504 361315059 /nfs/dbraw/zinc/31/50/59/361315059.db2.gz BUAPISBLKRHLET-SMDDNHRTSA-N 1 1 280.324 1.219 20 5 CDBDMO C[NH+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301954130 201276764 /nfs/dbraw/zinc/27/67/64/201276764.db2.gz JAJQDLYYZDZAPO-UHFFFAOYSA-N 1 1 293.370 1.033 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406217 361729380 /nfs/dbraw/zinc/72/93/80/361729380.db2.gz DLCLFBNZSRYRTA-LLVKDONJSA-N 1 1 252.314 1.840 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000121614494 366877036 /nfs/dbraw/zinc/87/70/36/366877036.db2.gz UCDRTJMBBBOVFD-VIFPVBQESA-N 1 1 267.285 1.259 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc(OC)c(C)c([N+](=O)[O-])c2)n1 ZINC000414649017 241300008 /nfs/dbraw/zinc/30/00/08/241300008.db2.gz VZENQTBXDZNHMP-UHFFFAOYSA-N 1 1 278.268 1.681 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CC[N@@H+](C)CC1 ZINC000272635281 367785590 /nfs/dbraw/zinc/78/55/90/367785590.db2.gz BVYUJJNYLJIFQO-VIFPVBQESA-N 1 1 279.296 1.568 20 5 CDBDMO CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000301152879 368098146 /nfs/dbraw/zinc/09/81/46/368098146.db2.gz BJDZNDDFDMBTQX-NWDGAFQWSA-N 1 1 294.355 1.271 20 5 CDBDMO Cc1ccc(C[N@@H+](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275998554 193184510 /nfs/dbraw/zinc/18/45/10/193184510.db2.gz OLDDLHSPPVRHHM-UHFFFAOYSA-N 1 1 294.351 1.877 20 5 CDBDMO [NH3+]CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420353730 244130178 /nfs/dbraw/zinc/13/01/78/244130178.db2.gz BZHIXBXRKXLTFZ-UHFFFAOYSA-N 1 1 279.340 1.535 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000330815016 203270693 /nfs/dbraw/zinc/27/06/93/203270693.db2.gz QKCJRHWVBBFMQJ-ZDUSSCGKSA-N 1 1 266.297 1.178 20 5 CDBDMO Cc1nc(N[C@H](C)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000295655697 370555508 /nfs/dbraw/zinc/55/55/08/370555508.db2.gz HDSLGPUUYVPBMB-SECBINFHSA-N 1 1 267.333 1.834 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675456 373675107 /nfs/dbraw/zinc/67/51/07/373675107.db2.gz PBKWJDKAPVUJIS-GXFFZTMASA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1(C)C ZINC000161485261 373760846 /nfs/dbraw/zinc/76/08/46/373760846.db2.gz OWRFIRRPMBOFKN-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1(C)C ZINC000161485261 373760854 /nfs/dbraw/zinc/76/08/54/373760854.db2.gz OWRFIRRPMBOFKN-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO CN(C)C(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298730878 374083548 /nfs/dbraw/zinc/08/35/48/374083548.db2.gz SHOHGQJZIKDHJL-UHFFFAOYSA-N 1 1 265.313 1.157 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298730878 374083557 /nfs/dbraw/zinc/08/35/57/374083557.db2.gz SHOHGQJZIKDHJL-UHFFFAOYSA-N 1 1 265.313 1.157 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712586 374203825 /nfs/dbraw/zinc/20/38/25/374203825.db2.gz HEWUUHXKDHQNJK-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311671395 374263156 /nfs/dbraw/zinc/26/31/56/374263156.db2.gz HXEUSINNDSXCLV-SECBINFHSA-N 1 1 267.260 1.041 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000420954205 374308796 /nfs/dbraw/zinc/30/87/96/374308796.db2.gz JTPNIWHQJFVBIZ-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000420954205 374308807 /nfs/dbraw/zinc/30/88/07/374308807.db2.gz JTPNIWHQJFVBIZ-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422948975 374364529 /nfs/dbraw/zinc/36/45/29/374364529.db2.gz TYFYRIZOIVIMJT-NXEZZACHSA-N 1 1 267.329 1.819 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082826 374378011 /nfs/dbraw/zinc/37/80/11/374378011.db2.gz OMWQQPMDHGKUQT-CABCVRRESA-N 1 1 292.335 1.475 20 5 CDBDMO CC[C@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480668 374384928 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1.674 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256225 374987400 /nfs/dbraw/zinc/98/74/00/374987400.db2.gz IOBHHBXFPNRQOV-NSHDSACASA-N 1 1 296.302 1.950 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266745 375208474 /nfs/dbraw/zinc/20/84/74/375208474.db2.gz BWMNYJHHULYJNV-SNVBAGLBSA-N 1 1 254.286 1.286 20 5 CDBDMO CC(C)(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000131287075 375214887 /nfs/dbraw/zinc/21/48/87/375214887.db2.gz GEFYDBQGGMTULW-UHFFFAOYSA-N 1 1 295.339 1.559 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351477536 375301109 /nfs/dbraw/zinc/30/11/09/375301109.db2.gz NLTDELJABWIZAK-KCPJHIHWSA-N 1 1 291.351 1.643 20 5 CDBDMO Cn1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352596653 375520356 /nfs/dbraw/zinc/52/03/56/375520356.db2.gz CBNPWURDMWNSIU-CMPLNLGQSA-N 1 1 292.339 1.100 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000058158447 375673459 /nfs/dbraw/zinc/67/34/59/375673459.db2.gz YYJKIUVBZAAPCG-NSHDSACASA-N 1 1 275.308 1.561 20 5 CDBDMO CC[N@@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000049320552 375937812 /nfs/dbraw/zinc/93/78/12/375937812.db2.gz SNRYRQJSAUNGDL-UHFFFAOYSA-N 1 1 269.330 1.668 20 5 CDBDMO C[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264215775 190097002 /nfs/dbraw/zinc/09/70/02/190097002.db2.gz UGSWZLNNORIFEV-UHFFFAOYSA-N 1 1 291.307 1.716 20 5 CDBDMO CC(C)[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487086923 376686827 /nfs/dbraw/zinc/68/68/27/376686827.db2.gz OMKYJRWDULHAQV-LBPRGKRZSA-N 1 1 264.329 1.766 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000351310501 376864444 /nfs/dbraw/zinc/86/44/44/376864444.db2.gz ZZBMCCWSESKDMF-NSHDSACASA-N 1 1 268.317 1.148 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000351310501 376864456 /nfs/dbraw/zinc/86/44/56/376864456.db2.gz ZZBMCCWSESKDMF-NSHDSACASA-N 1 1 268.317 1.148 20 5 CDBDMO COC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819702 190210146 /nfs/dbraw/zinc/21/01/46/190210146.db2.gz RQNWSZXHRJFKBD-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345290856 377817005 /nfs/dbraw/zinc/81/70/05/377817005.db2.gz MHNSNNPACRSGAL-GXSJLCMTSA-N 1 1 292.339 1.390 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266187002 190238684 /nfs/dbraw/zinc/23/86/84/190238684.db2.gz ZNXQKJIWSLJDBT-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173722826 378989073 /nfs/dbraw/zinc/98/90/73/378989073.db2.gz HYEWVRRXTNKFGM-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO CCC[C@@]1(CO)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000444772264 250186972 /nfs/dbraw/zinc/18/69/72/250186972.db2.gz NBVLUJFMIIGQGH-ZDUSSCGKSA-N 1 1 282.344 1.418 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173826064 379321642 /nfs/dbraw/zinc/32/16/42/379321642.db2.gz GUYUUOSTTBNGLK-NSHDSACASA-N 1 1 298.339 1.685 20 5 CDBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000174231478 379399035 /nfs/dbraw/zinc/39/90/35/379399035.db2.gz CDUBOXQQCXHENF-CYBMUJFWSA-N 1 1 291.351 1.981 20 5 CDBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872475 379595920 /nfs/dbraw/zinc/59/59/20/379595920.db2.gz MBDKXEFOGFJODJ-STQMWFEESA-N 1 1 296.371 1.927 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1ccncc1[N+](=O)[O-] ZINC000281019756 195071680 /nfs/dbraw/zinc/07/16/80/195071680.db2.gz MIRQJSASTJLZHD-UHFFFAOYSA-N 1 1 291.311 1.373 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCC[NH2+]C2)n1 ZINC000423189167 285169152 /nfs/dbraw/zinc/16/91/52/285169152.db2.gz MRLYJRRUBZJRKM-YNEHKIRRSA-N 1 1 293.371 1.617 20 5 CDBDMO C[C@@H]1CCSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286036703 390188819 /nfs/dbraw/zinc/18/88/19/390188819.db2.gz IBXYADWFBHHLLO-SNVBAGLBSA-N 1 1 270.358 1.619 20 5 CDBDMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000361819202 390887120 /nfs/dbraw/zinc/88/71/20/390887120.db2.gz ZCEUWMGUXSMLEE-NSHDSACASA-N 1 1 292.339 1.976 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411777009 390968285 /nfs/dbraw/zinc/96/82/85/390968285.db2.gz ZAWUOXCMIZQAGF-GFCCVEGCSA-N 1 1 295.339 1.626 20 5 CDBDMO CC[N@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199750 391072450 /nfs/dbraw/zinc/07/24/50/391072450.db2.gz PPVFOEZWAWRYOV-UHFFFAOYSA-N 1 1 272.276 1.557 20 5 CDBDMO CC[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184199750 391072457 /nfs/dbraw/zinc/07/24/57/391072457.db2.gz PPVFOEZWAWRYOV-UHFFFAOYSA-N 1 1 272.276 1.557 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366858048 391250850 /nfs/dbraw/zinc/25/08/50/391250850.db2.gz VTMGHFJQQKRUCY-AWEZNQCLSA-N 1 1 291.351 1.814 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000268062228 391271893 /nfs/dbraw/zinc/27/18/93/391271893.db2.gz ZCVDSTCJSNKHTO-QWHCGFSZSA-N 1 1 293.367 1.795 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134230094 391346196 /nfs/dbraw/zinc/34/61/96/391346196.db2.gz DMPSXDZTMSLXSA-UHFFFAOYSA-N 1 1 283.303 1.804 20 5 CDBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000049096794 391641241 /nfs/dbraw/zinc/64/12/41/391641241.db2.gz URVHNENSGXYQNZ-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CF)CC1 ZINC000451388111 391663376 /nfs/dbraw/zinc/66/33/76/391663376.db2.gz IQELJRJBIUZEBO-UHFFFAOYSA-N 1 1 256.281 1.510 20 5 CDBDMO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000442784198 392493920 /nfs/dbraw/zinc/49/39/20/392493920.db2.gz ROLDJPPJWCFCRV-NWDGAFQWSA-N 1 1 279.340 1.643 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000249297885 392787543 /nfs/dbraw/zinc/78/75/43/392787543.db2.gz RKPYPBKRCVOAKY-IUCAKERBSA-N 1 1 268.342 1.582 20 5 CDBDMO C[C@@H]1[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000419376929 392891479 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CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911303 393032146 /nfs/dbraw/zinc/03/21/46/393032146.db2.gz AKVFZNDZTDPTOE-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000425924695 393032308 /nfs/dbraw/zinc/03/23/08/393032308.db2.gz VZAKYEIAQVTIQD-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ncccc1[N+](=O)[O-] ZINC000274426453 393111418 /nfs/dbraw/zinc/11/14/18/393111418.db2.gz DEGVKFAHLREMQI-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000228100343 140191007 /nfs/dbraw/zinc/19/10/07/140191007.db2.gz GCMFZXXKVSYUAM-IACUBPJLSA-N 1 1 262.309 1.798 20 5 CDBDMO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255113624 140335101 /nfs/dbraw/zinc/33/51/01/140335101.db2.gz XLWWMXQKXUNVHQ-XQRVVYSFSA-N 1 1 280.324 1.549 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067510 397910741 /nfs/dbraw/zinc/91/07/41/397910741.db2.gz 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CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895771610 619837530 /nfs/dbraw/zinc/83/75/30/619837530.db2.gz NRJQHGBQVFKYHB-SECBINFHSA-N 1 1 294.311 1.283 20 5 CDBDMO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895771610 619837532 /nfs/dbraw/zinc/83/75/32/619837532.db2.gz NRJQHGBQVFKYHB-SECBINFHSA-N 1 1 294.311 1.283 20 5 CDBDMO Cc1cc(C)n(-c2ccc(C[NH2+]CC[N+](=O)[O-])cn2)n1 ZINC000905051465 626387326 /nfs/dbraw/zinc/38/73/26/626387326.db2.gz CNTJVHCCBQBQPI-UHFFFAOYSA-N 1 1 275.312 1.250 20 5 CDBDMO C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000905136599 626650507 /nfs/dbraw/zinc/65/05/07/626650507.db2.gz LUKKRFJITPVBIU-CMPLNLGQSA-N 1 1 263.297 1.047 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000908283267 628111109 /nfs/dbraw/zinc/11/11/09/628111109.db2.gz YFWIFZPPILGWJZ-SNVBAGLBSA-N 1 1 293.323 1.884 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000931464171 685996367 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1.954 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000852636501 685842270 /nfs/dbraw/zinc/84/22/70/685842270.db2.gz VXNAUDCHURBSFD-MPKXVKKWSA-N 1 1 262.309 1.970 20 5 CDBDMO CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001031663103 685845956 /nfs/dbraw/zinc/84/59/56/685845956.db2.gz UEFIREVNBNUQRP-CHWSQXEVSA-N 1 1 295.383 1.136 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000931464171 685996361 /nfs/dbraw/zinc/99/63/61/685996361.db2.gz JTKSOBDFPSZCQX-ZJUUUORDSA-N 1 1 273.333 1.251 20 5 CDBDMO Cn1cc(COC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000884507521 686011705 /nfs/dbraw/zinc/01/17/05/686011705.db2.gz FUHRQOYFMMAPCE-UHFFFAOYSA-N 1 1 296.327 1.246 20 5 CDBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885931445 686032035 /nfs/dbraw/zinc/03/20/35/686032035.db2.gz VFNWFKCCHAZLNG-LBPRGKRZSA-N 1 1 293.323 1.765 20 5 CDBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885931445 686032038 /nfs/dbraw/zinc/03/20/38/686032038.db2.gz VFNWFKCCHAZLNG-LBPRGKRZSA-N 1 1 293.323 1.765 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187404396 686186863 /nfs/dbraw/zinc/18/68/63/686186863.db2.gz QUWBARQIJYXUEM-RISCZKNCSA-N 1 1 291.351 1.723 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000884822959 686335660 /nfs/dbraw/zinc/33/56/60/686335660.db2.gz JLCFFJQCXHFKGQ-UHFFFAOYSA-N 1 1 273.720 1.584 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886636341 686457847 /nfs/dbraw/zinc/45/78/47/686457847.db2.gz LSZRSZJXZAAJIE-TZMCWYRMSA-N 1 1 294.355 1.337 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000842614006 686520477 /nfs/dbraw/zinc/52/04/77/686520477.db2.gz FXFHKNHCKIFWGZ-NWDGAFQWSA-N 1 1 280.328 1.640 20 5 CDBDMO CN(CCCCCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886841433 686800889 /nfs/dbraw/zinc/80/08/89/686800889.db2.gz LIBJAHWIJZYJTI-UHFFFAOYSA-N 1 1 266.345 1.941 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000886039843 687021811 /nfs/dbraw/zinc/02/18/11/687021811.db2.gz QKYRXCHUVXTPCX-QWHCGFSZSA-N 1 1 277.324 1.991 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000885972825 687033768 /nfs/dbraw/zinc/03/37/68/687033768.db2.gz LNESXJWJKHQCQH-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000885972825 687033774 /nfs/dbraw/zinc/03/37/74/687033774.db2.gz LNESXJWJKHQCQH-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO COc1ccccc1O[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930471834 687036055 /nfs/dbraw/zinc/03/60/55/687036055.db2.gz VBKNYRJWTHOSGJ-LBPRGKRZSA-N 1 1 280.324 1.815 20 5 CDBDMO COc1ccccc1O[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930471834 687036058 /nfs/dbraw/zinc/03/60/58/687036058.db2.gz VBKNYRJWTHOSGJ-LBPRGKRZSA-N 1 1 280.324 1.815 20 5 CDBDMO C[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000848624197 687148376 /nfs/dbraw/zinc/14/83/76/687148376.db2.gz ROQWAYKEXBCLPY-ZETCQYMHSA-N 1 1 263.257 1.244 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880235081 687151014 /nfs/dbraw/zinc/15/10/14/687151014.db2.gz YBQLVWRITDQNOT-SNVBAGLBSA-N 1 1 256.281 1.473 20 5 CDBDMO C[S@@](=O)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865532285 687398118 /nfs/dbraw/zinc/39/81/18/687398118.db2.gz XJEMDTISVZAMSM-HXUWFJFHSA-N 1 1 293.348 1.745 20 5 CDBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931102889 687442540 /nfs/dbraw/zinc/44/25/40/687442540.db2.gz IMUPXJUIAALMBW-FZMZJTMJSA-N 1 1 299.371 1.642 20 5 CDBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931102889 687442554 /nfs/dbraw/zinc/44/25/54/687442554.db2.gz IMUPXJUIAALMBW-FZMZJTMJSA-N 1 1 299.371 1.642 20 5 CDBDMO Cc1ccc(C(=O)NC2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000931386230 687459416 /nfs/dbraw/zinc/45/94/16/687459416.db2.gz YSSHUINHDLADPP-UHFFFAOYSA-N 1 1 291.351 1.466 20 5 CDBDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930190694 687650632 /nfs/dbraw/zinc/65/06/32/687650632.db2.gz KNMQFMWDRJCKHR-SECBINFHSA-N 1 1 251.286 1.572 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135592 687817819 /nfs/dbraw/zinc/81/78/19/687817819.db2.gz PIRMYQCOLVWKAS-MGPQQGTHSA-N 1 1 289.335 1.519 20 5 CDBDMO COc1cccc(C[NH+]2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000931517649 687823882 /nfs/dbraw/zinc/82/38/82/687823882.db2.gz HVBNDLXSFSJXDJ-UHFFFAOYSA-N 1 1 279.340 1.090 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000712309508 687883823 /nfs/dbraw/zinc/88/38/23/687883823.db2.gz JFTCANPSYJLGKC-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000712309508 687883827 /nfs/dbraw/zinc/88/38/27/687883827.db2.gz JFTCANPSYJLGKC-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170339459 1162346414 /nfs/dbraw/zinc/34/64/14/1162346414.db2.gz CGAZVPQIYJDPDB-NEPJUHHUSA-N 1 1 294.351 1.849 20 5 CDBDMO CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001752726536 1184901419 /nfs/dbraw/zinc/90/14/19/1184901419.db2.gz OZUNTRKXGZQFBA-WHFHHIGESA-N 1 1 295.383 1.635 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001164667994 719372501 /nfs/dbraw/zinc/37/25/01/719372501.db2.gz MKTYNTONIGOSQD-ZJUUUORDSA-N 1 1 298.730 1.162 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001173222167 912304413 /nfs/dbraw/zinc/30/44/13/912304413.db2.gz PRQYVKLUTJCPEM-UXIGCNINSA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H](O)C1 ZINC001173223364 912308984 /nfs/dbraw/zinc/30/89/84/912308984.db2.gz ZMHFIDZPOKGFJE-SMDDNHRTSA-N 1 1 280.324 1.219 20 5 CDBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)C1 ZINC001167278403 895029683 /nfs/dbraw/zinc/02/96/83/895029683.db2.gz IWYGRRHHDBBCHO-JTQLQIEISA-N 1 1 293.323 1.888 20 5 CDBDMO C[N@@H+]1CCc2c(NCc3cccnn3)ccc([N+](=O)[O-])c2C1 ZINC001167330477 895292819 /nfs/dbraw/zinc/29/28/19/895292819.db2.gz LQTXWKGRLSMQAG-UHFFFAOYSA-N 1 1 299.334 1.985 20 5 CDBDMO C[N@H+]1CCc2c(NCc3cccnn3)ccc([N+](=O)[O-])c2C1 ZINC001167330477 895292832 /nfs/dbraw/zinc/29/28/32/895292832.db2.gz LQTXWKGRLSMQAG-UHFFFAOYSA-N 1 1 299.334 1.985 20 5 CDBDMO COC(=O)c1cc(NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001168316106 908996349 /nfs/dbraw/zinc/99/63/49/908996349.db2.gz VCAOACGHRRYIJZ-UHFFFAOYSA-N 1 1 293.323 1.886 20 5 CDBDMO CC[NH+]1CC(OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224328585 909304497 /nfs/dbraw/zinc/30/44/97/909304497.db2.gz PZKZBHFRKYBNMF-UHFFFAOYSA-N 1 1 250.298 1.858 20 5 CDBDMO CCc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126931837 909883864 /nfs/dbraw/zinc/88/38/64/909883864.db2.gz BCKDPCRJIPVCSU-ZIAGYGMSSA-N 1 1 291.351 1.120 20 5 CDBDMO [NH3+]Cc1ncn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172899855 912037159 /nfs/dbraw/zinc/03/71/59/912037159.db2.gz DWUJSPHAWDEYKK-LBPRGKRZSA-N 1 1 287.323 1.765 20 5 CDBDMO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001169010622 927617457 /nfs/dbraw/zinc/61/74/57/927617457.db2.gz FGAVZWUVQFTFMX-AXFHLTTASA-N 1 1 258.293 1.435 20 5 CDBDMO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@](C)(CO)C1 ZINC001169014013 927619141 /nfs/dbraw/zinc/61/91/41/927619141.db2.gz XTAGSYIFPIRGCC-YRGRVCCFSA-N 1 1 270.373 1.915 20 5 CDBDMO CC[N@@H+](CCCC(=O)OC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013369 927620527 /nfs/dbraw/zinc/62/05/27/927620527.db2.gz UJTCDPMGEDUEHY-VXGBXAGGSA-N 1 1 272.345 1.707 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042472 927657897 /nfs/dbraw/zinc/65/78/97/927657897.db2.gz DUWWLIUQYUNSBW-MCIONIFRSA-N 1 1 291.351 1.980 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000695904519 937270036 /nfs/dbraw/zinc/27/00/36/937270036.db2.gz KJTPAMBUNRLHGD-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000695904519 937270038 /nfs/dbraw/zinc/27/00/38/937270038.db2.gz KJTPAMBUNRLHGD-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000695904519 937270027 /nfs/dbraw/zinc/27/00/27/937270027.db2.gz KJTPAMBUNRLHGD-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C ZINC001120971490 937850874 /nfs/dbraw/zinc/85/08/74/937850874.db2.gz AIGYAKVWTFQPQB-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156623702 938396034 /nfs/dbraw/zinc/39/60/34/938396034.db2.gz MLTSZCYBUXAHAV-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO COc1cc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266649 938472530 /nfs/dbraw/zinc/47/25/30/938472530.db2.gz VRSGURSMRGHPQM-ZYHUDNBSSA-N 1 1 292.339 1.529 20 5 CDBDMO CCN(c1ncc([N+](=O)[O-])cc1C)C1C[NH+](C)C1 ZINC001157453328 938493890 /nfs/dbraw/zinc/49/38/90/938493890.db2.gz BVILAXSRLJZWOY-UHFFFAOYSA-N 1 1 250.302 1.439 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158423538 938621579 /nfs/dbraw/zinc/62/15/79/938621579.db2.gz KZTANPUXMSIOSV-VIFPVBQESA-N 1 1 252.249 1.023 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001158495371 938630053 /nfs/dbraw/zinc/63/00/53/938630053.db2.gz NNGMFNMHGZPROD-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](C)C1 ZINC001163357879 939256743 /nfs/dbraw/zinc/25/67/43/939256743.db2.gz NDRYZCAXBOFRTA-AAEUAGOBSA-N 1 1 294.355 1.759 20 5 CDBDMO CC[NH+]1CC(OCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001223650700 941689474 /nfs/dbraw/zinc/68/94/74/941689474.db2.gz LEOQAOLGYYPPAD-UHFFFAOYSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1ccc(COC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223649803 941689756 /nfs/dbraw/zinc/68/97/56/941689756.db2.gz VMLYSKUZQSMZHC-GFCCVEGCSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc(COC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001223649803 941689757 /nfs/dbraw/zinc/68/97/57/941689757.db2.gz VMLYSKUZQSMZHC-GFCCVEGCSA-N 1 1 296.323 1.451 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227106141 942133484 /nfs/dbraw/zinc/13/34/84/942133484.db2.gz GBCZWLXHWRTHOO-SNVBAGLBSA-N 1 1 296.283 1.760 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCNC(=O)C1 ZINC001254551508 947522505 /nfs/dbraw/zinc/52/25/05/947522505.db2.gz CLJFXAPHXZTLPE-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCNC(=O)C1 ZINC001254551508 947522513 /nfs/dbraw/zinc/52/25/13/947522513.db2.gz CLJFXAPHXZTLPE-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001254602058 947554111 /nfs/dbraw/zinc/55/41/11/947554111.db2.gz ACXCERDNBLHWOS-ABAIWWIYSA-N 1 1 275.352 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602058 947554123 /nfs/dbraw/zinc/55/41/23/947554123.db2.gz ACXCERDNBLHWOS-ABAIWWIYSA-N 1 1 275.352 1.698 20 5 CDBDMO C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602058 947554136 /nfs/dbraw/zinc/55/41/36/947554136.db2.gz ACXCERDNBLHWOS-ABAIWWIYSA-N 1 1 275.352 1.698 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@H]1F ZINC001246086767 947936787 /nfs/dbraw/zinc/93/67/87/947936787.db2.gz MBBGAUUIACURRE-RTXFEEFZSA-N 1 1 281.331 1.815 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246613381 948346944 /nfs/dbraw/zinc/34/69/44/948346944.db2.gz YUPLQXTWMPYNLY-MCIONIFRSA-N 1 1 267.373 1.650 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC001329271182 955791409 /nfs/dbraw/zinc/79/14/09/955791409.db2.gz YTWRPQQPRUMJBQ-UHFFFAOYSA-N 1 1 266.232 1.846 20 5 CDBDMO Cc1ccc(NCCNc2ccncc2[N+](=O)[O-])[nH+]c1 ZINC001307217680 956381903 /nfs/dbraw/zinc/38/19/03/956381903.db2.gz JPALOWGMYLMRBY-UHFFFAOYSA-N 1 1 273.296 1.639 20 5 CDBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341392959 963396429 /nfs/dbraw/zinc/39/64/29/963396429.db2.gz NKPDKCUSNDIAFG-LBPRGKRZSA-N 1 1 258.318 1.174 20 5 CDBDMO CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471892 968287302 /nfs/dbraw/zinc/28/73/02/968287302.db2.gz LPQFLVAEUIDEQS-VXGBXAGGSA-N 1 1 269.345 1.032 20 5 CDBDMO Cc1c(C(=O)OCCC[N+](=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001515533724 969898759 /nfs/dbraw/zinc/89/87/59/969898759.db2.gz HESDDKMDFUAFEG-UHFFFAOYSA-N 1 1 290.279 1.399 20 5 CDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000590379107 342540919 /nfs/dbraw/zinc/54/09/19/342540919.db2.gz LAPMRSVIBURYKU-UHFFFAOYSA-N 1 1 286.291 1.445 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)[N@H+]1CCO ZINC000590722778 342583854 /nfs/dbraw/zinc/58/38/54/342583854.db2.gz HNHBRSMAEJNDOX-AOOOYVTPSA-N 1 1 285.369 1.548 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)[N@@H+]1CCO ZINC000590722778 342583855 /nfs/dbraw/zinc/58/38/55/342583855.db2.gz HNHBRSMAEJNDOX-AOOOYVTPSA-N 1 1 285.369 1.548 20 5 CDBDMO C[C@@H]1C[N@@H+](CCN(C)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978456 349568974 /nfs/dbraw/zinc/56/89/74/349568974.db2.gz VJHOOBXKJZEIMO-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO C[C@@H]1C[N@H+](CCN(C)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978456 349568977 /nfs/dbraw/zinc/56/89/77/349568977.db2.gz VJHOOBXKJZEIMO-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO CC[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1C ZINC000591460057 342633400 /nfs/dbraw/zinc/63/34/00/342633400.db2.gz DZQWIWWBHBPKCK-SNVBAGLBSA-N 1 1 292.339 1.224 20 5 CDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141942003 361959509 /nfs/dbraw/zinc/95/95/09/361959509.db2.gz UYZIZZGJOKTVDA-AWEZNQCLSA-N 1 1 289.335 1.905 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000619491835 349746558 /nfs/dbraw/zinc/74/65/58/349746558.db2.gz WEDFJAMPICEXTR-UWVGGRQHSA-N 1 1 285.369 1.548 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000619491835 349746559 /nfs/dbraw/zinc/74/65/59/349746559.db2.gz WEDFJAMPICEXTR-UWVGGRQHSA-N 1 1 285.369 1.548 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000595301611 343028558 /nfs/dbraw/zinc/02/85/58/343028558.db2.gz GTEDKJHROBXKSS-JTQLQIEISA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000595301611 343028559 /nfs/dbraw/zinc/02/85/59/343028559.db2.gz GTEDKJHROBXKSS-JTQLQIEISA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(C[N@@H+](C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000595406607 343049947 /nfs/dbraw/zinc/04/99/47/343049947.db2.gz FACABPOENDQFNS-UHFFFAOYSA-N 1 1 269.301 1.750 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)C1CCOCC1 ZINC000595449835 343057901 /nfs/dbraw/zinc/05/79/01/343057901.db2.gz LZBQWQWIOUVKES-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470688 343072910 /nfs/dbraw/zinc/07/29/10/343072910.db2.gz OZQVCPPJMCEXSZ-ZDUSSCGKSA-N 1 1 298.314 1.971 20 5 CDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470688 343072912 /nfs/dbraw/zinc/07/29/12/343072912.db2.gz OZQVCPPJMCEXSZ-ZDUSSCGKSA-N 1 1 298.314 1.971 20 5 CDBDMO COCC[C@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595462840 343070924 /nfs/dbraw/zinc/07/09/24/343070924.db2.gz YFPTZICTMBGQBL-LBPRGKRZSA-N 1 1 285.300 1.176 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595522075 343088433 /nfs/dbraw/zinc/08/84/33/343088433.db2.gz XDFPOVMCULMIHK-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595522075 343088434 /nfs/dbraw/zinc/08/84/34/343088434.db2.gz XDFPOVMCULMIHK-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524151 343088884 /nfs/dbraw/zinc/08/88/84/343088884.db2.gz YKQZIHSJBMNNJB-JTQLQIEISA-N 1 1 269.301 1.892 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524151 343088885 /nfs/dbraw/zinc/08/88/85/343088885.db2.gz YKQZIHSJBMNNJB-JTQLQIEISA-N 1 1 269.301 1.892 20 5 CDBDMO CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595490676 343076212 /nfs/dbraw/zinc/07/62/12/343076212.db2.gz GNTMZXMRJBNBDH-SECBINFHSA-N 1 1 268.317 1.417 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595499012 343077657 /nfs/dbraw/zinc/07/76/57/343077657.db2.gz JZYDEHSXVIPTNJ-LLVKDONJSA-N 1 1 282.344 1.663 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596094004 343234546 /nfs/dbraw/zinc/23/45/46/343234546.db2.gz GAMXINDQKSTETK-UHFFFAOYSA-N 1 1 293.371 1.883 20 5 CDBDMO CC(C)[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000085861016 342384123 /nfs/dbraw/zinc/38/41/23/342384123.db2.gz OTUGMETXXFQYJT-UHFFFAOYSA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084354 282239531 /nfs/dbraw/zinc/23/95/31/282239531.db2.gz DUHOAJUMPLDXAD-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084354 282239534 /nfs/dbraw/zinc/23/95/34/282239534.db2.gz DUHOAJUMPLDXAD-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247541 343273805 /nfs/dbraw/zinc/27/38/05/343273805.db2.gz QJPCRRUNAKYDBX-ZDUSSCGKSA-N 1 1 291.351 1.896 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596306871 343293067 /nfs/dbraw/zinc/29/30/67/343293067.db2.gz JBZXCTWFQHRFNN-JTQLQIEISA-N 1 1 281.360 1.861 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000596569689 343344972 /nfs/dbraw/zinc/34/49/72/343344972.db2.gz BXAFWYFCWHCVGF-LBPRGKRZSA-N 1 1 291.355 1.341 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342891 343771160 /nfs/dbraw/zinc/77/11/60/343771160.db2.gz OLBPHAKUMJKYIE-VIFPVBQESA-N 1 1 267.285 1.402 20 5 CDBDMO C[C@]1(CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623418 344097577 /nfs/dbraw/zinc/09/75/77/344097577.db2.gz NPBWKWICEYSVJW-GASCZTMLSA-N 1 1 294.351 1.408 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cs1 ZINC000601976917 344305602 /nfs/dbraw/zinc/30/56/02/344305602.db2.gz QEKCTOIXQWUEPK-AOOOYVTPSA-N 1 1 254.311 1.735 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602765976 344573097 /nfs/dbraw/zinc/57/30/97/344573097.db2.gz NOGYKIDYJOZHLS-GFCCVEGCSA-N 1 1 282.344 1.458 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903711 344655891 /nfs/dbraw/zinc/65/58/91/344655891.db2.gz AQHHAQBAYQRQFO-TVQRCGJNSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903711 344655893 /nfs/dbraw/zinc/65/58/93/344655893.db2.gz AQHHAQBAYQRQFO-TVQRCGJNSA-N 1 1 284.287 1.052 20 5 CDBDMO Cc1c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907218 344644251 /nfs/dbraw/zinc/64/42/51/344644251.db2.gz LIWAEOXVWWBBSS-JSGCOSHPSA-N 1 1 280.324 1.221 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609480950 344911401 /nfs/dbraw/zinc/91/14/01/344911401.db2.gz BZTPPGYDGJEISM-NSHDSACASA-N 1 1 293.323 1.042 20 5 CDBDMO Cc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000344326164 362569827 /nfs/dbraw/zinc/56/98/27/362569827.db2.gz NLHLZSSPHDWMSP-UHFFFAOYSA-N 1 1 274.280 1.689 20 5 CDBDMO CC[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000070943028 345312094 /nfs/dbraw/zinc/31/20/94/345312094.db2.gz SCWOEFBIBZIWLI-UHFFFAOYSA-N 1 1 282.296 1.276 20 5 CDBDMO CC[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000070943028 345312095 /nfs/dbraw/zinc/31/20/95/345312095.db2.gz SCWOEFBIBZIWLI-UHFFFAOYSA-N 1 1 282.296 1.276 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000609626447 345983140 /nfs/dbraw/zinc/98/31/40/345983140.db2.gz MTSAWVBLVRCQRD-UHFFFAOYSA-N 1 1 279.340 1.547 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000610487851 346292198 /nfs/dbraw/zinc/29/21/98/346292198.db2.gz ZMQXPHBTAWTORC-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000584682048 346402146 /nfs/dbraw/zinc/40/21/46/346402146.db2.gz FNJXOCITATXAHM-AWEZNQCLSA-N 1 1 282.340 1.813 20 5 CDBDMO C[N@@H+](CCOC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000610859714 346467807 /nfs/dbraw/zinc/46/78/07/346467807.db2.gz JPYBCMLJFXXVHV-UHFFFAOYSA-N 1 1 270.333 1.538 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088399 346605086 /nfs/dbraw/zinc/60/50/86/346605086.db2.gz TTYHDVFMVSUZSY-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088399 346605090 /nfs/dbraw/zinc/60/50/90/346605090.db2.gz TTYHDVFMVSUZSY-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413212 346779940 /nfs/dbraw/zinc/77/99/40/346779940.db2.gz XURNDKNIEIUVBA-SECBINFHSA-N 1 1 271.342 1.789 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000293626617 362790513 /nfs/dbraw/zinc/79/05/13/362790513.db2.gz MXLPUVYFKNPTAB-UHFFFAOYSA-N 1 1 298.249 1.565 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000069137609 347570773 /nfs/dbraw/zinc/57/07/73/347570773.db2.gz CQTXZWHAUVOPSD-SNVBAGLBSA-N 1 1 281.312 1.650 20 5 CDBDMO COc1cc(N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615494274 348559438 /nfs/dbraw/zinc/55/94/38/348559438.db2.gz MMDUBVUESMEZJZ-JTQLQIEISA-N 1 1 265.313 1.744 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000615835366 348843069 /nfs/dbraw/zinc/84/30/69/348843069.db2.gz MHPBYGIDZSLLLC-HLIIYUEKSA-N 1 1 278.308 1.036 20 5 CDBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000109847722 186276389 /nfs/dbraw/zinc/27/63/89/186276389.db2.gz VEFHAIRTACLLHP-NSHDSACASA-N 1 1 277.324 1.585 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341027553 365998196 /nfs/dbraw/zinc/99/81/96/365998196.db2.gz LQGWTVZCKBKACN-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341027553 365998199 /nfs/dbraw/zinc/99/81/99/365998199.db2.gz LQGWTVZCKBKACN-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000619815797 350855125 /nfs/dbraw/zinc/85/51/25/350855125.db2.gz HIVVXZVYURZSCR-AWEZNQCLSA-N 1 1 298.314 1.770 20 5 CDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117335251 351159513 /nfs/dbraw/zinc/15/95/13/351159513.db2.gz KJZZKTJFHCFXNS-UHFFFAOYSA-N 1 1 291.307 1.987 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000291760777 198083399 /nfs/dbraw/zinc/08/33/99/198083399.db2.gz DAYQIXLQYUKGBA-SECBINFHSA-N 1 1 297.359 1.339 20 5 CDBDMO C[C@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC000295163287 199380022 /nfs/dbraw/zinc/38/00/22/199380022.db2.gz NNCVTNLMUDWADU-VIFPVBQESA-N 1 1 295.339 1.285 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153467968 188084796 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20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173897 358179611 /nfs/dbraw/zinc/17/96/11/358179611.db2.gz HRHIOATWPABXQK-JTQLQIEISA-N 1 1 270.358 1.619 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361506050 358244109 /nfs/dbraw/zinc/24/41/09/358244109.db2.gz AIMUEXASOPCNSD-MRVPVSSYSA-N 1 1 264.285 1.284 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361506050 358244115 /nfs/dbraw/zinc/24/41/15/358244115.db2.gz AIMUEXASOPCNSD-MRVPVSSYSA-N 1 1 264.285 1.284 20 5 CDBDMO CC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176208055 358737297 /nfs/dbraw/zinc/73/72/97/358737297.db2.gz IKVSHYYPOPNDIV-LLVKDONJSA-N 1 1 252.318 1.913 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)O ZINC000304140959 358912954 /nfs/dbraw/zinc/91/29/54/358912954.db2.gz UYTAZILZCXKIGO-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO CCOc1cc(C[N@@H+](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000291126646 358881339 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COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351928432 359911687 /nfs/dbraw/zinc/91/16/87/359911687.db2.gz SWHIUEZBCOPSIN-JOYOIKCWSA-N 1 1 266.297 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000159461858 359945106 /nfs/dbraw/zinc/94/51/06/359945106.db2.gz CPPJAAHEHDYFTQ-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000159461858 359945108 /nfs/dbraw/zinc/94/51/08/359945108.db2.gz CPPJAAHEHDYFTQ-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@H+](CCC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000150880490 360006580 /nfs/dbraw/zinc/00/65/80/360006580.db2.gz SYQDLOTWCFCCDR-UHFFFAOYSA-N 1 1 298.343 1.455 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112309829 360521872 /nfs/dbraw/zinc/52/18/72/360521872.db2.gz RLKKIIJOEWOWSO-UHFFFAOYSA-N 1 1 269.301 1.650 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328734 360960462 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Cc1c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249598355 364973804 /nfs/dbraw/zinc/97/38/04/364973804.db2.gz XLVPZTVEVHPUHW-YGRLFVJLSA-N 1 1 291.351 1.989 20 5 CDBDMO COCCC[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000275503995 193060411 /nfs/dbraw/zinc/06/04/11/193060411.db2.gz RJNKUUHJSKEWQJ-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078778 366964949 /nfs/dbraw/zinc/96/49/49/366964949.db2.gz XVXNZYFMPZGLIO-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603225 203025282 /nfs/dbraw/zinc/02/52/82/203025282.db2.gz HVHPOLJJVQVSGL-VXGBXAGGSA-N 1 1 291.351 1.688 20 5 CDBDMO CCN(CCC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276190050 193237636 /nfs/dbraw/zinc/23/76/36/193237636.db2.gz IOGOSKHGIHHMFE-UHFFFAOYSA-N 1 1 295.339 1.714 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000330898254 203367824 /nfs/dbraw/zinc/36/78/24/203367824.db2.gz IBTXZQBZDOINAY-RKDXNWHRSA-N 1 1 266.301 1.135 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303165 193279646 /nfs/dbraw/zinc/27/96/46/193279646.db2.gz KIIBVVMPANYZTI-UGZDLDLSSA-N 1 1 288.344 1.933 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303165 193279648 /nfs/dbraw/zinc/27/96/48/193279648.db2.gz KIIBVVMPANYZTI-UGZDLDLSSA-N 1 1 288.344 1.933 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295560719 370487784 /nfs/dbraw/zinc/48/77/84/370487784.db2.gz QHEHBCNETPEKRJ-LLVKDONJSA-N 1 1 279.344 1.837 20 5 CDBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796640 204173728 /nfs/dbraw/zinc/17/37/28/204173728.db2.gz QYYLDDQTWKNVBA-NEPJUHHUSA-N 1 1 296.371 1.964 20 5 CDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796640 204173732 /nfs/dbraw/zinc/17/37/32/204173732.db2.gz QYYLDDQTWKNVBA-NEPJUHHUSA-N 1 1 296.371 1.964 20 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/nfs/dbraw/zinc/38/60/78/374386078.db2.gz FIWQFWVJZCOYKC-OLZOCXBDSA-N 1 1 292.383 1.457 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000081266820 374497485 /nfs/dbraw/zinc/49/74/85/374497485.db2.gz GSBMJXCMTSPEIE-ZWNOBZJWSA-N 1 1 293.323 1.103 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000081266820 374497490 /nfs/dbraw/zinc/49/74/90/374497490.db2.gz GSBMJXCMTSPEIE-ZWNOBZJWSA-N 1 1 293.323 1.103 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000378097893 374631139 /nfs/dbraw/zinc/63/11/39/374631139.db2.gz ADYCBRCDCFBYJZ-LBPRGKRZSA-N 1 1 272.308 1.965 20 5 CDBDMO C[C@H](c1cccnc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093227984 374734496 /nfs/dbraw/zinc/73/44/96/374734496.db2.gz IZKXXMDZQFXKCO-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124545642 374820364 /nfs/dbraw/zinc/82/03/64/374820364.db2.gz ZGHRBAUAYPHNMJ-SNVBAGLBSA-N 1 1 295.343 1.842 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C2)nc1 ZINC000331365247 374941081 /nfs/dbraw/zinc/94/10/81/374941081.db2.gz CYCUINWRZBJZFE-DGCLKSJQSA-N 1 1 292.339 1.655 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279807756 374963988 /nfs/dbraw/zinc/96/39/88/374963988.db2.gz PRGGISWNHYLGBS-QWHCGFSZSA-N 1 1 280.324 1.331 20 5 CDBDMO Nc1c(C(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000280342578 374992306 /nfs/dbraw/zinc/99/23/06/374992306.db2.gz WKKVDCYREOJSRB-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000332213435 375014290 /nfs/dbraw/zinc/01/42/90/375014290.db2.gz KFYOLAXUYHSTMW-CABCVRRESA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000332213435 375014295 /nfs/dbraw/zinc/01/42/95/375014295.db2.gz KFYOLAXUYHSTMW-CABCVRRESA-N 1 1 291.351 1.418 20 5 CDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(F)cncc1F ZINC000353201434 375585984 /nfs/dbraw/zinc/58/59/84/375585984.db2.gz FVRGMQDHMCFWOX-MRVPVSSYSA-N 1 1 297.265 1.815 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000426459235 247028316 /nfs/dbraw/zinc/02/83/16/247028316.db2.gz JVHADCJECVPPSH-ZYHUDNBSSA-N 1 1 250.302 1.666 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)CCCO ZINC000353613671 375633031 /nfs/dbraw/zinc/63/30/31/375633031.db2.gz OVYYPZMPJJCVHZ-UTCJRWHESA-N 1 1 280.324 1.285 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078936 375664424 /nfs/dbraw/zinc/66/44/24/375664424.db2.gz JNHHNYRMLQJQNT-AWEZNQCLSA-N 1 1 292.339 1.481 20 5 CDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356833565 375864480 /nfs/dbraw/zinc/86/44/80/375864480.db2.gz YGLOFUNUKLSVAS-SNVBAGLBSA-N 1 1 295.339 1.759 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356833565 375864485 /nfs/dbraw/zinc/86/44/85/375864485.db2.gz YGLOFUNUKLSVAS-SNVBAGLBSA-N 1 1 295.339 1.759 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000357415012 375907135 /nfs/dbraw/zinc/90/71/35/375907135.db2.gz NIBCPGSBRBLTKW-RKDXNWHRSA-N 1 1 266.301 1.135 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134120339 375915075 /nfs/dbraw/zinc/91/50/75/375915075.db2.gz RFJCQRKUKLITCT-JTQLQIEISA-N 1 1 295.314 1.344 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CO ZINC000249005451 376117888 /nfs/dbraw/zinc/11/78/88/376117888.db2.gz ZLAZZGPGYVOSHN-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CO ZINC000249005451 376117895 /nfs/dbraw/zinc/11/78/95/376117895.db2.gz ZLAZZGPGYVOSHN-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741874 190075974 /nfs/dbraw/zinc/07/59/74/190075974.db2.gz RNQDKONQEKKCEK-DGCLKSJQSA-N 1 1 280.324 1.676 20 5 CDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265015429 190152411 /nfs/dbraw/zinc/15/24/11/190152411.db2.gz VJKCBJHBKACXOD-UHFFFAOYSA-N 1 1 295.364 1.967 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1CO ZINC000069841888 378895691 /nfs/dbraw/zinc/89/56/91/378895691.db2.gz HWSWNQOSVRDARQ-NSHDSACASA-N 1 1 266.297 1.430 20 5 CDBDMO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278685460 194101547 /nfs/dbraw/zinc/10/15/47/194101547.db2.gz HAMFGTIFYWJREY-BETUJISGSA-N 1 1 291.351 1.739 20 5 CDBDMO CC1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000173814318 379314558 /nfs/dbraw/zinc/31/45/58/379314558.db2.gz VMBOQVLEEKJALQ-UHFFFAOYSA-N 1 1 277.324 1.926 20 5 CDBDMO Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450380022 251254064 /nfs/dbraw/zinc/25/40/64/251254064.db2.gz POWXCKIPRFBTNO-ONGXEEELSA-N 1 1 279.344 1.834 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)CC(C)(C)C ZINC000451779616 251841999 /nfs/dbraw/zinc/84/19/99/251841999.db2.gz LXIMECLVDCWSJL-NSHDSACASA-N 1 1 284.360 1.520 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](C2CC2)C1 ZINC000452574220 252098859 /nfs/dbraw/zinc/09/88/59/252098859.db2.gz VCUXNCLHXONYJV-SNVBAGLBSA-N 1 1 292.339 1.479 20 5 CDBDMO NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544843 390631671 /nfs/dbraw/zinc/63/16/71/390631671.db2.gz FYFSZXAVOAZXLL-NSHDSACASA-N 1 1 263.297 1.260 20 5 CDBDMO NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544843 390631675 /nfs/dbraw/zinc/63/16/75/390631675.db2.gz FYFSZXAVOAZXLL-NSHDSACASA-N 1 1 263.297 1.260 20 5 CDBDMO COc1ccc(C[N@H+](C)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000451137967 390602298 /nfs/dbraw/zinc/60/22/98/390602298.db2.gz JUBBZHIOFNIHHL-UHFFFAOYSA-N 1 1 281.312 1.299 20 5 CDBDMO COc1ccc(C[N@@H+](C)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000451137967 390602301 /nfs/dbraw/zinc/60/23/01/390602301.db2.gz JUBBZHIOFNIHHL-UHFFFAOYSA-N 1 1 281.312 1.299 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000516951357 390967212 /nfs/dbraw/zinc/96/72/12/390967212.db2.gz YJXROIGYWFEJOS-WDEREUQCSA-N 1 1 279.344 1.260 20 5 CDBDMO CC[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414996308 391236948 /nfs/dbraw/zinc/23/69/48/391236948.db2.gz XLGHTVPQFGZAPT-MNOVXSKESA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414996308 391236952 /nfs/dbraw/zinc/23/69/52/391236952.db2.gz XLGHTVPQFGZAPT-MNOVXSKESA-N 1 1 294.355 1.639 20 5 CDBDMO CCc1nn(C)c(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000366112790 391340610 /nfs/dbraw/zinc/34/06/10/391340610.db2.gz RBTAMKHJFBSPEP-AWEZNQCLSA-N 1 1 293.371 1.423 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000344366039 391646764 /nfs/dbraw/zinc/64/67/64/391646764.db2.gz BXAZDJOCOLCVPV-VIFPVBQESA-N 1 1 253.277 1.874 20 5 CDBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000191727175 391668223 /nfs/dbraw/zinc/66/82/23/391668223.db2.gz ZBBJFVYNBWJERO-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921786 130131366 /nfs/dbraw/zinc/13/13/66/130131366.db2.gz UZUJNGGFZIHESV-MJVIPROJSA-N 1 1 291.351 1.970 20 5 CDBDMO CCOC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000459716262 392500945 /nfs/dbraw/zinc/50/09/45/392500945.db2.gz PXUAYDWVHDYCNY-LBPRGKRZSA-N 1 1 282.344 1.682 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372476 392572317 /nfs/dbraw/zinc/57/23/17/392572317.db2.gz SXZWPGVGKRCZQX-JTQLQIEISA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000521142397 392865260 /nfs/dbraw/zinc/86/52/60/392865260.db2.gz LWDUFCZFSCUJOK-UHFFFAOYSA-N 1 1 294.355 1.869 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CO ZINC000430222588 393092982 /nfs/dbraw/zinc/09/29/82/393092982.db2.gz WIHLKLOSRBLANM-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO CCOc1cccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278801051 393143157 /nfs/dbraw/zinc/14/31/57/393143157.db2.gz RCBKKGFGKLNWOW-TXEJJXNPSA-N 1 1 291.351 1.991 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352416905 155174047 /nfs/dbraw/zinc/17/40/47/155174047.db2.gz LWUYZALCPUXOIF-SNVBAGLBSA-N 1 1 252.270 1.170 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@H]2CCOC2)C2CC2)n1 ZINC000176209358 148027394 /nfs/dbraw/zinc/02/73/94/148027394.db2.gz XCQMDNSTDMUYQY-LLVKDONJSA-N 1 1 280.328 1.292 20 5 CDBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@H+]1C ZINC000343451221 152182913 /nfs/dbraw/zinc/18/29/13/152182913.db2.gz FTZQHSRFCMGIGU-DTWKUNHWSA-N 1 1 253.306 1.223 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604895 152241017 /nfs/dbraw/zinc/24/10/17/152241017.db2.gz NYINBAOQLJUXJO-ONGXEEELSA-N 1 1 281.360 1.785 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679392 155358378 /nfs/dbraw/zinc/35/83/78/155358378.db2.gz ZRPWMUOOLUCUKQ-YPMHNXCESA-N 1 1 280.324 1.949 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000346710799 153284378 /nfs/dbraw/zinc/28/43/78/153284378.db2.gz TWLLDBGOAAGKCP-UHFFFAOYSA-N 1 1 280.328 1.101 20 5 CDBDMO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](C)O ZINC000352213463 155026885 /nfs/dbraw/zinc/02/68/85/155026885.db2.gz VBVZMWHVWBAPQN-JTQLQIEISA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296053 158204129 /nfs/dbraw/zinc/20/41/29/158204129.db2.gz QTVUBMZVEAUEQZ-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359407934 158237968 /nfs/dbraw/zinc/23/79/68/158237968.db2.gz CALPJZFDTGMIMK-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359407934 158237970 /nfs/dbraw/zinc/23/79/70/158237970.db2.gz CALPJZFDTGMIMK-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000374303202 160271907 /nfs/dbraw/zinc/27/19/07/160271907.db2.gz SNUTXBXMPLCPIH-LBPRGKRZSA-N 1 1 289.335 1.926 20 5 CDBDMO C[C@H](CO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000284719939 196117192 /nfs/dbraw/zinc/11/71/92/196117192.db2.gz JOKAHUYBZAUQOA-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000284719939 196117195 /nfs/dbraw/zinc/11/71/95/196117195.db2.gz JOKAHUYBZAUQOA-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285554335 196326037 /nfs/dbraw/zinc/32/60/37/196326037.db2.gz GPEWCMJRRGGKEH-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285554335 196326039 /nfs/dbraw/zinc/32/60/39/196326039.db2.gz GPEWCMJRRGGKEH-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044537969 175200054 /nfs/dbraw/zinc/20/00/54/175200054.db2.gz FGKMCLUOHLSOPS-VIFPVBQESA-N 1 1 253.306 1.082 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CC[NH2+]CC1 ZINC000071148959 176044750 /nfs/dbraw/zinc/04/47/50/176044750.db2.gz HNWGQCRVDMKALK-CYBMUJFWSA-N 1 1 292.383 1.493 20 5 CDBDMO Cc1c(CN(C)CCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000071150693 176045133 /nfs/dbraw/zinc/04/51/33/176045133.db2.gz ASLYSJLBSOVVMR-UHFFFAOYSA-N 1 1 292.383 1.240 20 5 CDBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000221247920 261371073 /nfs/dbraw/zinc/37/10/73/261371073.db2.gz MJXIHDKPURHCKD-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702087 274075126 /nfs/dbraw/zinc/07/51/26/274075126.db2.gz OKJQXCSXTCNHTB-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702087 274075127 /nfs/dbraw/zinc/07/51/27/274075127.db2.gz OKJQXCSXTCNHTB-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292225331 277160939 /nfs/dbraw/zinc/16/09/39/277160939.db2.gz IITPAMVAVIAHQP-CQSZACIVSA-N 1 1 276.340 1.709 20 5 CDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1=CC[N@@H+](C)CC1 ZINC000357934739 278330876 /nfs/dbraw/zinc/33/08/76/278330876.db2.gz HTGPUPHCHPTBHK-SNVBAGLBSA-N 1 1 292.339 1.314 20 5 CDBDMO Cc1[nH]nc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000424084236 280189433 /nfs/dbraw/zinc/18/94/33/280189433.db2.gz YPPYBUKFTDOABF-XKSSXDPKSA-N 1 1 295.343 1.072 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000556215241 290258971 /nfs/dbraw/zinc/25/89/71/290258971.db2.gz ZAWUPJYBFHMHTR-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO CC(=O)c1ccc(OCc2noc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC000567809043 293875383 /nfs/dbraw/zinc/87/53/83/293875383.db2.gz HATCAKOFHAHYNP-UHFFFAOYSA-N 1 1 292.251 1.218 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139291 316239687 /nfs/dbraw/zinc/23/96/87/316239687.db2.gz ACINQCNGPASGRM-YUMQZZPRSA-N 1 1 278.268 1.903 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000577652294 317378606 /nfs/dbraw/zinc/37/86/06/317378606.db2.gz HCVLIUJPSCTRRS-VHSXEESVSA-N 1 1 281.360 1.648 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029937712 327051770 /nfs/dbraw/zinc/05/17/70/327051770.db2.gz SPEDWTIOYZEHHP-UHFFFAOYSA-N 1 1 260.253 1.738 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000338424364 519619175 /nfs/dbraw/zinc/61/91/75/519619175.db2.gz WIKNMPPJBLLIRR-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355167 521715010 /nfs/dbraw/zinc/71/50/10/521715010.db2.gz XQCMOHCBFCILPS-VHSXEESVSA-N 1 1 294.359 1.106 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067387492 524082660 /nfs/dbraw/zinc/08/26/60/524082660.db2.gz SUSRHDGZNKVLCD-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067387492 524082661 /nfs/dbraw/zinc/08/26/61/524082661.db2.gz SUSRHDGZNKVLCD-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000304315434 527373124 /nfs/dbraw/zinc/37/31/24/527373124.db2.gz RLUNSVGSZIWRCF-NSHDSACASA-N 1 1 266.297 1.288 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000328442718 536878701 /nfs/dbraw/zinc/87/87/01/536878701.db2.gz BAGLZRXLCRKPFT-JTQLQIEISA-N 1 1 283.303 1.867 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397432 575574457 /nfs/dbraw/zinc/57/44/57/575574457.db2.gz PRLJNNUCJQJBRE-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397432 575574460 /nfs/dbraw/zinc/57/44/60/575574460.db2.gz PRLJNNUCJQJBRE-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528295 576293506 /nfs/dbraw/zinc/29/35/06/576293506.db2.gz XMKOYOANBBOYAS-GHMZBOCLSA-N 1 1 289.339 1.771 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873428 576440060 /nfs/dbraw/zinc/44/00/60/576440060.db2.gz NKSGLOVSXBAAEU-BPCQOVAHSA-N 1 1 266.297 1.083 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2C2OCCO2)n1 ZINC000747960263 576890161 /nfs/dbraw/zinc/89/01/61/576890161.db2.gz YOFGLNFHDWBBPO-LLVKDONJSA-N 1 1 296.327 1.019 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2C2OCCO2)n1 ZINC000747960263 576890162 /nfs/dbraw/zinc/89/01/62/576890162.db2.gz YOFGLNFHDWBBPO-LLVKDONJSA-N 1 1 296.327 1.019 20 5 CDBDMO C[C@H]1COCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117881 576976474 /nfs/dbraw/zinc/97/64/74/576976474.db2.gz WCBLSUDOLFXBKK-SMDDNHRTSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000892285460 617693787 /nfs/dbraw/zinc/69/37/87/617693787.db2.gz XJILMNKGWAPRKI-SECBINFHSA-N 1 1 255.322 1.471 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891913020 617761364 /nfs/dbraw/zinc/76/13/64/617761364.db2.gz PHBXYSMXRDHYGT-UHFFFAOYSA-N 1 1 295.387 1.885 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892459682 618224249 /nfs/dbraw/zinc/22/42/49/618224249.db2.gz CWQPEFOHPYJLHB-SNVBAGLBSA-N 1 1 267.333 1.615 20 5 CDBDMO Cc1nc(N[C@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000894997105 619194019 /nfs/dbraw/zinc/19/40/19/619194019.db2.gz UFBDWEVJGZVHLW-VIFPVBQESA-N 1 1 259.269 1.532 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000905084207 626602193 /nfs/dbraw/zinc/60/21/93/626602193.db2.gz XQNCWNODYYMZRA-UHFFFAOYSA-N 1 1 251.286 1.237 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000905058444 626608524 /nfs/dbraw/zinc/60/85/24/626608524.db2.gz GZOHBUAHFXHREE-OLZOCXBDSA-N 1 1 268.288 1.912 20 5 CDBDMO C[C@]1(CNCC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000905243554 626700491 /nfs/dbraw/zinc/70/04/91/626700491.db2.gz JZZWZAFWUUVYBH-OAHLLOKOSA-N 1 1 277.368 1.765 20 5 CDBDMO Cc1cn(CC[C@H]2CCCC[N@@H+]2C)nc1[N+](=O)[O-] ZINC000906508414 627295540 /nfs/dbraw/zinc/29/55/40/627295540.db2.gz XJHCMJHGHKZPKB-LLVKDONJSA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1cccc(C(=O)NC2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000931477938 693896984 /nfs/dbraw/zinc/89/69/84/693896984.db2.gz HCPNVFYHANQUJQ-UHFFFAOYSA-N 1 1 291.351 1.466 20 5 CDBDMO COC(C)(C)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886039263 693942354 /nfs/dbraw/zinc/94/23/54/693942354.db2.gz IUZSBPCUJMGXOS-UHFFFAOYSA-N 1 1 253.302 1.847 20 5 CDBDMO COC(C)(C)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886039263 693942364 /nfs/dbraw/zinc/94/23/64/693942364.db2.gz IUZSBPCUJMGXOS-UHFFFAOYSA-N 1 1 253.302 1.847 20 5 CDBDMO C[C@]1(O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592621 693975969 /nfs/dbraw/zinc/97/59/69/693975969.db2.gz QZUUMXFZINNBJB-STQMWFEESA-N 1 1 266.297 1.085 20 5 CDBDMO COC[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582757 694020607 /nfs/dbraw/zinc/02/06/07/694020607.db2.gz BPFORVJJVABCBI-SMDDNHRTSA-N 1 1 280.324 1.597 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932645681 694075034 /nfs/dbraw/zinc/07/50/34/694075034.db2.gz BTVWBAIMTFRPBG-GFCCVEGCSA-N 1 1 278.308 1.980 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000882487862 694099994 /nfs/dbraw/zinc/09/99/94/694099994.db2.gz KMWOPQNUAZOMJX-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO CCn1ncnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819279817 688226714 /nfs/dbraw/zinc/22/67/14/688226714.db2.gz RTUAOBWMLBTNHS-LBPRGKRZSA-N 1 1 291.311 1.029 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H](C)[NH3+])n2)c1 ZINC000843222437 688389431 /nfs/dbraw/zinc/38/94/31/688389431.db2.gz ICNYXZQMORWASY-SSDOTTSWSA-N 1 1 278.268 1.597 20 5 CDBDMO O=C1CCN1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000857236917 688389526 /nfs/dbraw/zinc/38/95/26/688389526.db2.gz KIDDRRHTTHDDCT-ZDUSSCGKSA-N 1 1 289.335 1.964 20 5 CDBDMO O=C1CCN1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000857236917 688389531 /nfs/dbraw/zinc/38/95/31/688389531.db2.gz KIDDRRHTTHDDCT-ZDUSSCGKSA-N 1 1 289.335 1.964 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000785798952 688470980 /nfs/dbraw/zinc/47/09/80/688470980.db2.gz ZPPKDRIHPJBBFK-NXEZZACHSA-N 1 1 283.353 1.931 20 5 CDBDMO CN(C)C(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885930842 688727912 /nfs/dbraw/zinc/72/79/12/688727912.db2.gz JNLHMOKOJCXDTA-UHFFFAOYSA-N 1 1 292.339 1.290 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712323328 688774751 /nfs/dbraw/zinc/77/47/51/688774751.db2.gz LGCDTKKSHZFHKY-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712323328 688774769 /nfs/dbraw/zinc/77/47/69/688774769.db2.gz LGCDTKKSHZFHKY-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000776274538 688796464 /nfs/dbraw/zinc/79/64/64/688796464.db2.gz DVBWFQSMSYYVIV-JTNHKYCSSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000776274538 688796469 /nfs/dbraw/zinc/79/64/69/688796469.db2.gz DVBWFQSMSYYVIV-JTNHKYCSSA-N 1 1 280.324 1.737 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000886116971 694383341 /nfs/dbraw/zinc/38/33/41/694383341.db2.gz WIRPIBVFJFCPOZ-DGCLKSJQSA-N 1 1 279.340 1.973 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000814172676 692195348 /nfs/dbraw/zinc/19/53/48/692195348.db2.gz YTZGXSOOJGJTKP-URLYPYJESA-N 1 1 282.727 1.918 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1Cl ZINC000814172676 692195354 /nfs/dbraw/zinc/19/53/54/692195354.db2.gz YTZGXSOOJGJTKP-URLYPYJESA-N 1 1 282.727 1.918 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCCCO)C2CC2)cc1 ZINC000776584348 692490114 /nfs/dbraw/zinc/49/01/14/692490114.db2.gz MQLMAFNOOUZUIS-OAHLLOKOSA-N 1 1 294.351 1.865 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000839708299 692607338 /nfs/dbraw/zinc/60/73/38/692607338.db2.gz IRUMOABCQYZTAP-IGHBBLSQSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708299 692607348 /nfs/dbraw/zinc/60/73/48/692607348.db2.gz IRUMOABCQYZTAP-IGHBBLSQSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000839708299 692607363 /nfs/dbraw/zinc/60/73/63/692607363.db2.gz IRUMOABCQYZTAP-IGHBBLSQSA-N 1 1 293.367 1.127 20 5 CDBDMO C[NH+](C)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819250744 692762768 /nfs/dbraw/zinc/76/27/68/692762768.db2.gz CDFPROCRIDNLQD-AWEZNQCLSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000846988483 692767593 /nfs/dbraw/zinc/76/75/93/692767593.db2.gz LLEROTUPWOPGEJ-GFCCVEGCSA-N 1 1 285.388 1.765 20 5 CDBDMO C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CCO ZINC000886279171 692846332 /nfs/dbraw/zinc/84/63/32/692846332.db2.gz RCKULVWDRVJILJ-DGCLKSJQSA-N 1 1 279.340 1.973 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000885981720 692942141 /nfs/dbraw/zinc/94/21/41/692942141.db2.gz LPDXLFYZCNTLOO-JTQLQIEISA-N 1 1 251.286 1.601 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000885981720 692942153 /nfs/dbraw/zinc/94/21/53/692942153.db2.gz LPDXLFYZCNTLOO-JTQLQIEISA-N 1 1 251.286 1.601 20 5 CDBDMO CC[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192469 692944452 /nfs/dbraw/zinc/94/44/52/692944452.db2.gz VWVZMURQYPHNOK-UHFFFAOYSA-N 1 1 292.295 1.687 20 5 CDBDMO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000106857774 692953598 /nfs/dbraw/zinc/95/35/98/692953598.db2.gz JJIFXUAZHZTUOW-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000106857774 692953607 /nfs/dbraw/zinc/95/36/07/692953607.db2.gz JJIFXUAZHZTUOW-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839673945 693202823 /nfs/dbraw/zinc/20/28/23/693202823.db2.gz BKRPMXODFXIIFS-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839673945 693202829 /nfs/dbraw/zinc/20/28/29/693202829.db2.gz BKRPMXODFXIIFS-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839673945 693202837 /nfs/dbraw/zinc/20/28/37/693202837.db2.gz BKRPMXODFXIIFS-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO Cc1cc(C(=O)NC2CC[NH+](CC[N+](=O)[O-])CC2)c(C)o1 ZINC000791054372 694771222 /nfs/dbraw/zinc/77/12/22/694771222.db2.gz ZWEGUHCHQPAHJO-UHFFFAOYSA-N 1 1 295.339 1.367 20 5 CDBDMO C[S@](=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865542842 694808706 /nfs/dbraw/zinc/80/87/06/694808706.db2.gz YDHSROOKMIBFEU-IBGZPJMESA-N 1 1 279.321 1.355 20 5 CDBDMO C[C@@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844448743 694815630 /nfs/dbraw/zinc/81/56/30/694815630.db2.gz GSLUKQIJYJOGGF-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844448743 694815632 /nfs/dbraw/zinc/81/56/32/694815632.db2.gz GSLUKQIJYJOGGF-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886310642 694821829 /nfs/dbraw/zinc/82/18/29/694821829.db2.gz QSUULOYPJXKHJE-UHFFFAOYSA-N 1 1 295.339 1.617 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000843771238 694735293 /nfs/dbraw/zinc/73/52/93/694735293.db2.gz FTNYPRZSASDWTB-SNVBAGLBSA-N 1 1 295.314 1.724 20 5 CDBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000778118530 694812389 /nfs/dbraw/zinc/81/23/89/694812389.db2.gz WPUHJZJVTCHBDM-CABZTGNLSA-N 1 1 291.311 1.108 20 5 CDBDMO CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005380600 694847957 /nfs/dbraw/zinc/84/79/57/694847957.db2.gz FHLOFYDWQBEXSD-CHWSQXEVSA-N 1 1 283.372 1.375 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248611 694854934 /nfs/dbraw/zinc/85/49/34/694854934.db2.gz IXUKYMIFTCHEDL-NILFDRSVSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853390128 694863669 /nfs/dbraw/zinc/86/36/69/694863669.db2.gz MFJNWJQTSWJOOP-SECBINFHSA-N 1 1 266.301 1.592 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867524236 695095251 /nfs/dbraw/zinc/09/52/51/695095251.db2.gz PYNQSHKXHGXCCN-UHFFFAOYSA-N 1 1 295.314 1.485 20 5 CDBDMO N[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132440 1172356263 /nfs/dbraw/zinc/35/62/63/1172356263.db2.gz PAYKFHGFNFDRQR-SECBINFHSA-N 1 1 289.282 1.546 20 5 CDBDMO CC[N@H+](CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011958 723196234 /nfs/dbraw/zinc/19/62/34/723196234.db2.gz BZFXEPMNBNUAQO-HNNXBMFYSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[N@@H+](CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011958 723196237 /nfs/dbraw/zinc/19/62/37/723196237.db2.gz BZFXEPMNBNUAQO-HNNXBMFYSA-N 1 1 293.367 1.702 20 5 CDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672374 723201464 /nfs/dbraw/zinc/20/14/64/723201464.db2.gz FTQFZHKQMABCGW-OSAQELSMSA-N 1 1 294.351 1.721 20 5 CDBDMO C[C@H](NCC(F)(F)C[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817967157 723274069 /nfs/dbraw/zinc/27/40/69/723274069.db2.gz DGUXSEUEWNOWLS-ZETCQYMHSA-N 1 1 274.271 1.422 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286027 723647233 /nfs/dbraw/zinc/64/72/33/723647233.db2.gz JCWDMYQZOBNCLN-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)CCO)c1 ZINC000884824842 723686136 /nfs/dbraw/zinc/68/61/36/723686136.db2.gz RHYJUDRWBJKEDC-UHFFFAOYSA-N 1 1 253.302 1.239 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387337 1164412060 /nfs/dbraw/zinc/41/20/60/1164412060.db2.gz PJAPPELMRQZUOA-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@H+]1CC[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000882700104 723080133 /nfs/dbraw/zinc/08/01/33/723080133.db2.gz SKZABUGIWZGHRH-VHSXEESVSA-N 1 1 280.303 1.659 20 5 CDBDMO Cc1cc(N(C)CC[NH3+])c2cc([N+](=O)[O-])ccc2n1 ZINC000122225897 723164440 /nfs/dbraw/zinc/16/44/40/723164440.db2.gz IQFGOTJIESAPME-UHFFFAOYSA-N 1 1 260.297 1.846 20 5 CDBDMO C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000822758326 723639177 /nfs/dbraw/zinc/63/91/77/723639177.db2.gz XSYDBTQXMNCYFR-UHFFFAOYSA-N 1 1 257.334 1.032 20 5 CDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000867943684 1164885887 /nfs/dbraw/zinc/88/58/87/1164885887.db2.gz CVFIWSGZUKXTBX-OCCSQVGLSA-N 1 1 293.323 1.016 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(C)(CO)CO ZINC000876748008 1165907496 /nfs/dbraw/zinc/90/74/96/1165907496.db2.gz SNALSVOBVGEKJN-UHFFFAOYSA-N 1 1 296.367 1.634 20 5 CDBDMO CCC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168978091 927566441 /nfs/dbraw/zinc/56/64/41/927566441.db2.gz OHOILKNGMUBCDA-SRVKXCTJSA-N 1 1 272.345 1.753 20 5 CDBDMO C[C@]1(O)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169006830 927610735 /nfs/dbraw/zinc/61/07/35/927610735.db2.gz JNOKVXAQOPFIHC-AGIUHOORSA-N 1 1 256.346 1.669 20 5 CDBDMO COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033300 927640787 /nfs/dbraw/zinc/64/07/87/927640787.db2.gz BSRCZECEYYJWGV-FVCCEPFGSA-N 1 1 284.356 1.705 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3nccn3CC2)C1 ZINC001169036572 927647973 /nfs/dbraw/zinc/64/79/73/927647973.db2.gz GSVSPCTUPHGUSE-NWDGAFQWSA-N 1 1 264.329 1.187 20 5 CDBDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021444 927664098 /nfs/dbraw/zinc/66/40/98/927664098.db2.gz KWUJRGSANJDKIF-BJJPWKGXSA-N 1 1 295.383 1.134 20 5 CDBDMO CN[C@@H]1CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156660963 928898012 /nfs/dbraw/zinc/89/80/12/928898012.db2.gz VWXLLIDKNPWDKY-FUEXJSSKSA-N 1 1 277.328 1.278 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCC2)c1 ZINC000861387447 929286437 /nfs/dbraw/zinc/28/64/37/929286437.db2.gz ZVKCYPGAODWPIE-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO Cc1cc(C(=O)OCC[NH+]2CCC2)cc([N+](=O)[O-])c1 ZINC000861387270 929288134 /nfs/dbraw/zinc/28/81/34/929288134.db2.gz XRLAPBOINGBAED-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882494295 930023533 /nfs/dbraw/zinc/02/35/33/930023533.db2.gz IQUBXXDLICGHJJ-GFCCVEGCSA-N 1 1 295.314 1.487 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135410798 930625986 /nfs/dbraw/zinc/62/59/86/930625986.db2.gz VNULXWHXSUSGPQ-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135410798 930625994 /nfs/dbraw/zinc/62/59/94/930625994.db2.gz VNULXWHXSUSGPQ-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170896556 930691408 /nfs/dbraw/zinc/69/14/08/930691408.db2.gz HAJHMEIEYVXCLJ-LLVKDONJSA-N 1 1 293.302 1.718 20 5 CDBDMO COc1cc(N[C@@H](N)CCC[NH3+])cc([N+](=O)[O-])c1C ZINC001170900772 930702434 /nfs/dbraw/zinc/70/24/34/930702434.db2.gz PQUHANAQAWILAS-GFCCVEGCSA-N 1 1 268.317 1.347 20 5 CDBDMO Cc1cc(Cl)c(N[C@@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170907204 930720460 /nfs/dbraw/zinc/72/04/60/930720460.db2.gz ZRSHEZIVNXVTLG-SNVBAGLBSA-N 1 1 272.736 1.992 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238912 930836058 /nfs/dbraw/zinc/83/60/58/930836058.db2.gz LRGBOYSILIZERY-KOLCDFICSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238912 930836062 /nfs/dbraw/zinc/83/60/62/930836062.db2.gz LRGBOYSILIZERY-KOLCDFICSA-N 1 1 251.286 1.193 20 5 CDBDMO CC[N@@H+]1CC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001154124575 937505898 /nfs/dbraw/zinc/50/58/98/937505898.db2.gz VNRMFJPPYOWBCA-MFKMUULPSA-N 1 1 277.324 1.866 20 5 CDBDMO CC[N@H+]1CC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001154124575 937505899 /nfs/dbraw/zinc/50/58/99/937505899.db2.gz VNRMFJPPYOWBCA-MFKMUULPSA-N 1 1 277.324 1.866 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001156645848 938400206 /nfs/dbraw/zinc/40/02/06/938400206.db2.gz CIMXCZFETSRLJM-VIFPVBQESA-N 1 1 252.274 1.062 20 5 CDBDMO COc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157263004 938471039 /nfs/dbraw/zinc/47/10/39/938471039.db2.gz ZVDLXEWSAIYETP-PWSUYJOCSA-N 1 1 292.339 1.529 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401228616 940865711 /nfs/dbraw/zinc/86/57/11/940865711.db2.gz FHYATMVMPXDQJY-UHFFFAOYSA-N 1 1 265.248 1.746 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595063 942651322 /nfs/dbraw/zinc/65/13/22/942651322.db2.gz ITHKWFQOJLFSQG-JTQLQIEISA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@@H+]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595063 942651324 /nfs/dbraw/zinc/65/13/24/942651324.db2.gz ITHKWFQOJLFSQG-JTQLQIEISA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595063 942651326 /nfs/dbraw/zinc/65/13/26/942651326.db2.gz ITHKWFQOJLFSQG-JTQLQIEISA-N 1 1 276.296 1.944 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)OCCO2 ZINC001254558541 947525642 /nfs/dbraw/zinc/52/56/42/947525642.db2.gz CGNMWQLJQYZDLA-GFCCVEGCSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)OCCO2 ZINC001254558541 947525648 /nfs/dbraw/zinc/52/56/48/947525648.db2.gz CGNMWQLJQYZDLA-GFCCVEGCSA-N 1 1 292.335 1.975 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001254592692 947543125 /nfs/dbraw/zinc/54/31/25/947543125.db2.gz FUNPULCDDMHXPH-KFWWJZLASA-N 1 1 274.320 1.925 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001254592692 947543137 /nfs/dbraw/zinc/54/31/37/947543137.db2.gz FUNPULCDDMHXPH-KFWWJZLASA-N 1 1 274.320 1.925 20 5 CDBDMO COC(=O)C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592656 947543385 /nfs/dbraw/zinc/54/33/85/947543385.db2.gz FEGLYNGVJMCPNH-CYBMUJFWSA-N 1 1 276.292 1.167 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1CO)C2 ZINC001254601090 947548666 /nfs/dbraw/zinc/54/86/66/947548666.db2.gz ZBXPPJMABTXHFW-LSDHHAIUSA-N 1 1 276.336 1.909 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCOCC1)C2 ZINC001254601119 947549932 /nfs/dbraw/zinc/54/99/32/947549932.db2.gz ZPKQEGHVXWUKQO-AWEZNQCLSA-N 1 1 262.309 1.784 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC001325951076 954154300 /nfs/dbraw/zinc/15/43/00/954154300.db2.gz BLTYMJSVHFYNKA-LLVKDONJSA-N 1 1 266.345 1.861 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC001326292619 954304240 /nfs/dbraw/zinc/30/42/40/954304240.db2.gz OOXMEKZZXMDHAA-UHFFFAOYSA-N 1 1 292.251 1.435 20 5 CDBDMO CCn1nnc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001308215413 956497792 /nfs/dbraw/zinc/49/77/92/956497792.db2.gz KHUKNGMKDUYRLN-UHFFFAOYSA-N 1 1 275.312 1.804 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CC[C@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001330933456 956712317 /nfs/dbraw/zinc/71/23/17/956712317.db2.gz DJDWYJXFXQFCAW-QMTHXVAHSA-N 1 1 295.314 1.587 20 5 CDBDMO Cc1cc(C(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])c1 ZINC001319321457 958501153 /nfs/dbraw/zinc/50/11/53/958501153.db2.gz RFAFYQRXQMDNQG-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001321656121 959892866 /nfs/dbraw/zinc/89/28/66/959892866.db2.gz JSLOEUJUQGQVHO-GFCCVEGCSA-N 1 1 278.356 1.864 20 5 CDBDMO C[N@@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762544 960557593 /nfs/dbraw/zinc/55/75/93/960557593.db2.gz CSYASJNPVMCGHG-SMDDNHRTSA-N 1 1 279.340 1.170 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762544 960557604 /nfs/dbraw/zinc/55/76/04/960557604.db2.gz CSYASJNPVMCGHG-SMDDNHRTSA-N 1 1 279.340 1.170 20 5 CDBDMO COc1cc(C(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001339863195 962588604 /nfs/dbraw/zinc/58/86/04/962588604.db2.gz VUZVQTGOWAOVOA-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCC1 ZINC001519318831 970074915 /nfs/dbraw/zinc/07/49/15/970074915.db2.gz WIRHQNDXLXNDKB-UHFFFAOYSA-N 1 1 279.296 1.499 20 5 CDBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001576252238 1171372104 /nfs/dbraw/zinc/37/21/04/1171372104.db2.gz QHPSWQDZMXXWPP-WDMOLILDSA-N 1 1 279.340 1.622 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589737166 342513288 /nfs/dbraw/zinc/51/32/88/342513288.db2.gz ILIZZIPYSQTCPJ-SECBINFHSA-N 1 1 282.296 1.179 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589737166 342513289 /nfs/dbraw/zinc/51/32/89/342513289.db2.gz ILIZZIPYSQTCPJ-SECBINFHSA-N 1 1 282.296 1.179 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCC[C@@H]3O)c2c1 ZINC000601251470 342539422 /nfs/dbraw/zinc/53/94/22/342539422.db2.gz XAEHCYVLSNVWLL-KBPBESRZSA-N 1 1 273.292 1.890 20 5 CDBDMO Cc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000590377961 342540868 /nfs/dbraw/zinc/54/08/68/342540868.db2.gz AFDOZLCVJOVRAT-UHFFFAOYSA-N 1 1 286.291 1.825 20 5 CDBDMO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703663 342582536 /nfs/dbraw/zinc/58/25/36/342582536.db2.gz GUVNDNIZSMHZTQ-LLVKDONJSA-N 1 1 276.340 1.910 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593061490 342760890 /nfs/dbraw/zinc/76/08/90/342760890.db2.gz CEVHLPLXADNQRV-CMPLNLGQSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593061490 342760892 /nfs/dbraw/zinc/76/08/92/342760892.db2.gz CEVHLPLXADNQRV-CMPLNLGQSA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593504601 342809224 /nfs/dbraw/zinc/80/92/24/342809224.db2.gz QTJZVVONZUHGEV-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593504601 342809225 /nfs/dbraw/zinc/80/92/25/342809225.db2.gz QTJZVVONZUHGEV-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO CCC[N@H+](CC(=O)NC)Cc1cccc([N+](=O)[O-])c1 ZINC000056508380 342233841 /nfs/dbraw/zinc/23/38/41/342233841.db2.gz AADDTBKPOSUUOX-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)Cc1cccc([N+](=O)[O-])c1 ZINC000056508380 342233842 /nfs/dbraw/zinc/23/38/42/342233842.db2.gz AADDTBKPOSUUOX-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000177139568 529507007 /nfs/dbraw/zinc/50/70/07/529507007.db2.gz CLOICUINCVKEAT-GFCCVEGCSA-N 1 1 251.286 1.338 20 5 CDBDMO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595428920 343057923 /nfs/dbraw/zinc/05/79/23/343057923.db2.gz AAYIDJQQLFGZQD-ZJUUUORDSA-N 1 1 269.301 1.938 20 5 CDBDMO CCN1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595477185 343064752 /nfs/dbraw/zinc/06/47/52/343064752.db2.gz RQGLLPMBTXDUHJ-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076513749 342322077 /nfs/dbraw/zinc/32/20/77/342322077.db2.gz WWEBDTLEXHWUCV-SNVBAGLBSA-N 1 1 294.359 1.643 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000595521953 343088314 /nfs/dbraw/zinc/08/83/14/343088314.db2.gz HLSBTSHSBNLFRV-SNVBAGLBSA-N 1 1 269.301 1.486 20 5 CDBDMO C[N@H+]1CCCC12CCN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596183746 343251057 /nfs/dbraw/zinc/25/10/57/343251057.db2.gz ZZTBMOXNNNFDEQ-UHFFFAOYSA-N 1 1 292.339 1.760 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081365405 342367730 /nfs/dbraw/zinc/36/77/30/342367730.db2.gz SZYSDQNRDNWBHD-LLVKDONJSA-N 1 1 294.355 1.727 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000596262961 343279076 /nfs/dbraw/zinc/27/90/76/343279076.db2.gz KNYQHYMHDMJHCG-KCJUWKMLSA-N 1 1 282.731 1.784 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596235888 343282276 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Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000602775330 344577919 /nfs/dbraw/zinc/57/79/19/344577919.db2.gz HUXHFWAAWPKVOG-LBPRGKRZSA-N 1 1 282.344 1.458 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)CC(C)(C)C ZINC000602775292 344578180 /nfs/dbraw/zinc/57/81/80/344578180.db2.gz GOXAPYOMRVPVJS-UHFFFAOYSA-N 1 1 284.360 1.440 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000602826244 344612101 /nfs/dbraw/zinc/61/21/01/344612101.db2.gz JUBCOHJEOONTIA-OLZOCXBDSA-N 1 1 294.355 1.743 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602898722 344653715 /nfs/dbraw/zinc/65/37/15/344653715.db2.gz MZYZVNXCBGBPTJ-AAEUAGOBSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602898722 344653716 /nfs/dbraw/zinc/65/37/16/344653716.db2.gz MZYZVNXCBGBPTJ-AAEUAGOBSA-N 1 1 284.287 1.052 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842133 344622240 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CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000067413300 349023927 /nfs/dbraw/zinc/02/39/27/349023927.db2.gz NRLKXZNTFWPHBK-AWEZNQCLSA-N 1 1 291.351 1.943 20 5 CDBDMO CCc1nn(C)c(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000091561285 180191916 /nfs/dbraw/zinc/19/19/16/180191916.db2.gz BUCHKDOMONSQKC-UHFFFAOYSA-N 1 1 267.333 1.397 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCOC1 ZINC000106879977 186146118 /nfs/dbraw/zinc/14/61/18/186146118.db2.gz RITKHELOYHUCLZ-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000106879977 186146119 /nfs/dbraw/zinc/14/61/19/186146119.db2.gz RITKHELOYHUCLZ-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ncccc1[N+](=O)[O-] ZINC000515986918 362980081 /nfs/dbraw/zinc/98/00/81/362980081.db2.gz VEFNQQHAMYXQCN-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968140 350735064 /nfs/dbraw/zinc/73/50/64/350735064.db2.gz OOLMFEUGEATZKU-VIFPVBQESA-N 1 1 265.317 1.468 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263822 186382055 /nfs/dbraw/zinc/38/20/55/186382055.db2.gz HSAILVNCYLCZPT-GFCCVEGCSA-N 1 1 277.324 1.553 20 5 CDBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000157331435 188310575 /nfs/dbraw/zinc/31/05/75/188310575.db2.gz CLPOCXKZQYTWKH-UHFFFAOYSA-N 1 1 279.340 1.799 20 5 CDBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000274884023 366111066 /nfs/dbraw/zinc/11/10/66/366111066.db2.gz GGDYYAGRLHAZCD-NSHDSACASA-N 1 1 292.339 1.976 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159083 /nfs/dbraw/zinc/15/90/83/366159083.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366448477 363458260 /nfs/dbraw/zinc/45/82/60/363458260.db2.gz VCRCZDVVXJDBJO-GDNZZTSVSA-N 1 1 293.279 1.173 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366448477 363458262 /nfs/dbraw/zinc/45/82/62/363458262.db2.gz VCRCZDVVXJDBJO-GDNZZTSVSA-N 1 1 293.279 1.173 20 5 CDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000558728301 356043475 /nfs/dbraw/zinc/04/34/75/356043475.db2.gz XTGXBDSKLOYYRG-ZDUSSCGKSA-N 1 1 291.351 1.547 20 5 CDBDMO Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047311 356476309 /nfs/dbraw/zinc/47/63/09/356476309.db2.gz LANIVWDKOSOVMP-CYBMUJFWSA-N 1 1 283.303 1.521 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134935349 356728996 /nfs/dbraw/zinc/72/89/96/356728996.db2.gz CLYGTJURRMYUOY-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000274348910 357368089 /nfs/dbraw/zinc/36/80/89/357368089.db2.gz WKMGKCJAAMHADX-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000274348910 357368091 /nfs/dbraw/zinc/36/80/91/357368091.db2.gz WKMGKCJAAMHADX-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290735968 357495512 /nfs/dbraw/zinc/49/55/12/357495512.db2.gz RBDIEZOXTARHMU-SNVBAGLBSA-N 1 1 294.355 1.834 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C[N@@H+]1C ZINC000408074630 357812997 /nfs/dbraw/zinc/81/29/97/357812997.db2.gz XDYRQSUTZXVFFP-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C[N@H+]1C ZINC000408074630 357813001 /nfs/dbraw/zinc/81/30/01/357813001.db2.gz XDYRQSUTZXVFFP-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO CCc1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000190213058 358060437 /nfs/dbraw/zinc/06/04/37/358060437.db2.gz RWLIDRAYOKTYNF-UHFFFAOYSA-N 1 1 287.266 1.481 20 5 CDBDMO Cc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000192536264 358213562 /nfs/dbraw/zinc/21/35/62/358213562.db2.gz VJYJYYSRFYKDRK-TXEJJXNPSA-N 1 1 289.335 1.537 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCC1 ZINC000361502104 358244722 /nfs/dbraw/zinc/24/47/22/358244722.db2.gz VLFIVELYEFSXDD-SNVBAGLBSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663362 358410569 /nfs/dbraw/zinc/41/05/69/358410569.db2.gz UCJXVNAEDVYOTG-ZYHUDNBSSA-N 1 1 250.298 1.655 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000567609635 358707667 /nfs/dbraw/zinc/70/76/67/358707667.db2.gz UTXUFTUMBJGZDE-JSGCOSHPSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072874665 358797730 /nfs/dbraw/zinc/79/77/30/358797730.db2.gz GXEXRARFSRNYGJ-VIFPVBQESA-N 1 1 263.297 1.678 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000342365459 359024338 /nfs/dbraw/zinc/02/43/38/359024338.db2.gz WCMGTUWOCSRVHG-UWVGGRQHSA-N 1 1 292.339 1.588 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087356880 359003646 /nfs/dbraw/zinc/00/36/46/359003646.db2.gz IQRXYPYUHUDBCJ-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000541983498 359099411 /nfs/dbraw/zinc/09/94/11/359099411.db2.gz JVASZHCPEDAYIC-LBPRGKRZSA-N 1 1 290.323 1.460 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336893 359202317 /nfs/dbraw/zinc/20/23/17/359202317.db2.gz WMFBHWQZAYYNMT-VHSXEESVSA-N 1 1 265.317 1.367 20 5 CDBDMO CCCC[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000048346922 359202483 /nfs/dbraw/zinc/20/24/83/359202483.db2.gz DOXKKHBSXIGULQ-UHFFFAOYSA-N 1 1 295.339 1.288 20 5 CDBDMO CC(C)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075637663 359288341 /nfs/dbraw/zinc/28/83/41/359288341.db2.gz VOTDWNOQSDAKEZ-AWEZNQCLSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000296824842 200008226 /nfs/dbraw/zinc/00/82/26/200008226.db2.gz GEKNXRVYSRAIFZ-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000571831746 359619074 /nfs/dbraw/zinc/61/90/74/359619074.db2.gz OAFUKBNUINIUKO-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[C@@H](C)C1 ZINC000362150552 359684459 /nfs/dbraw/zinc/68/44/59/359684459.db2.gz PTEXWUXCQAGQAP-NEPJUHHUSA-N 1 1 296.371 1.965 20 5 CDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[C@@H](C)C1 ZINC000362150552 359684462 /nfs/dbraw/zinc/68/44/62/359684462.db2.gz PTEXWUXCQAGQAP-NEPJUHHUSA-N 1 1 296.371 1.965 20 5 CDBDMO CC1=CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135430 359905822 /nfs/dbraw/zinc/90/58/22/359905822.db2.gz HPFCTPONJAFJGB-CQSZACIVSA-N 1 1 292.335 1.987 20 5 CDBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000172622124 360728216 /nfs/dbraw/zinc/72/82/16/360728216.db2.gz PFYNRWUZYWFYTN-UHFFFAOYSA-N 1 1 282.340 1.814 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159522 364629899 /nfs/dbraw/zinc/62/98/99/364629899.db2.gz JYQIDRILUARVDY-SNVBAGLBSA-N 1 1 296.327 1.065 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ccncc3)C2)n1 ZINC000575426885 364861557 /nfs/dbraw/zinc/86/15/57/364861557.db2.gz CKFYYBNWJGWICN-ZDUSSCGKSA-N 1 1 287.323 1.676 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCNC1=O ZINC000573132823 365253023 /nfs/dbraw/zinc/25/30/23/365253023.db2.gz KTVXGEROHMPMDY-ZDUSSCGKSA-N 1 1 291.351 1.595 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270741563 366927952 /nfs/dbraw/zinc/92/79/52/366927952.db2.gz NFUAWFXUXLGDCM-UWVGGRQHSA-N 1 1 278.312 1.398 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270741563 366927960 /nfs/dbraw/zinc/92/79/60/366927960.db2.gz NFUAWFXUXLGDCM-UWVGGRQHSA-N 1 1 278.312 1.398 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000386324503 366969542 /nfs/dbraw/zinc/96/95/42/366969542.db2.gz UOXGOCPQJPLTKL-MNOVXSKESA-N 1 1 280.324 1.806 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000414648517 241300214 /nfs/dbraw/zinc/30/02/14/241300214.db2.gz VIHYPBQJMJFAHY-UHFFFAOYSA-N 1 1 292.251 1.151 20 5 CDBDMO Cc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272611363 367782375 /nfs/dbraw/zinc/78/23/75/367782375.db2.gz WFTMRFNVIBIWFH-SECBINFHSA-N 1 1 275.312 1.915 20 5 CDBDMO Cc1nnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272611363 367782385 /nfs/dbraw/zinc/78/23/85/367782385.db2.gz WFTMRFNVIBIWFH-SECBINFHSA-N 1 1 275.312 1.915 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000193213432 367988891 /nfs/dbraw/zinc/98/88/91/367988891.db2.gz RBTGUAZMUKXTMA-CQSZACIVSA-N 1 1 296.371 1.663 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420632983 244298877 /nfs/dbraw/zinc/29/88/77/244298877.db2.gz ILZCJBWDNFWJFN-NSHDSACASA-N 1 1 292.339 1.224 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719139 370589676 /nfs/dbraw/zinc/58/96/76/370589676.db2.gz NXFHPVDUZQEMMK-WCQYABFASA-N 1 1 298.339 1.037 20 5 CDBDMO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926474 371107516 /nfs/dbraw/zinc/10/75/16/371107516.db2.gz NHCYHWVBVGETMW-NEPJUHHUSA-N 1 1 279.340 1.963 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453038 371767519 /nfs/dbraw/zinc/76/75/19/371767519.db2.gz ITDYYZIIUYIFER-JTQLQIEISA-N 1 1 279.344 1.837 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000344644638 372791736 /nfs/dbraw/zinc/79/17/36/372791736.db2.gz CPHBVBKAIAIVSV-SNVBAGLBSA-N 1 1 280.328 1.005 20 5 CDBDMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667617 373550923 /nfs/dbraw/zinc/55/09/23/373550923.db2.gz SZAUFKCFTAUOEY-CYBMUJFWSA-N 1 1 295.339 1.072 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000299533863 373656102 /nfs/dbraw/zinc/65/61/02/373656102.db2.gz RGPANJMVCDFHNP-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000066137735 374304000 /nfs/dbraw/zinc/30/40/00/374304000.db2.gz XGUKMEJKUOWFIG-JTQLQIEISA-N 1 1 294.355 1.637 20 5 CDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954312 374307797 /nfs/dbraw/zinc/30/77/97/374307797.db2.gz ZKASMXQBSDMAHF-STQMWFEESA-N 1 1 294.351 1.924 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954310 374308226 /nfs/dbraw/zinc/30/82/26/374308226.db2.gz ZKASMXQBSDMAHF-OLZOCXBDSA-N 1 1 294.351 1.924 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368584246 374320153 /nfs/dbraw/zinc/32/01/53/374320153.db2.gz VTDWFKBIJNQQAI-CYBMUJFWSA-N 1 1 282.344 1.276 20 5 CDBDMO C[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000114675463 374338779 /nfs/dbraw/zinc/33/87/79/374338779.db2.gz ROOZDRWNIXCQTP-UHFFFAOYSA-N 1 1 292.339 1.171 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000299050473 374340510 /nfs/dbraw/zinc/34/05/10/374340510.db2.gz SJHSPTGVKORINM-VIFPVBQESA-N 1 1 295.364 1.870 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484581 374385005 /nfs/dbraw/zinc/38/50/05/374385005.db2.gz YPTOSGLJHWQCGA-ZYHUDNBSSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484581 374385009 /nfs/dbraw/zinc/38/50/09/374385009.db2.gz YPTOSGLJHWQCGA-ZYHUDNBSSA-N 1 1 251.330 1.853 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000274532157 374676216 /nfs/dbraw/zinc/67/62/16/374676216.db2.gz YZNLTECEOMTAME-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808855 374714185 /nfs/dbraw/zinc/71/41/85/374714185.db2.gz WSCIBVZIINIUOF-LLVKDONJSA-N 1 1 279.344 1.917 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC000280356725 374993033 /nfs/dbraw/zinc/99/30/33/374993033.db2.gz XCEJMRHOSUVYPJ-UHFFFAOYSA-N 1 1 251.290 1.002 20 5 CDBDMO Cn1cc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000332172841 375011065 /nfs/dbraw/zinc/01/10/65/375011065.db2.gz QEUGNFGPKGIJMH-UHFFFAOYSA-N 1 1 287.323 1.324 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280720791 375015843 /nfs/dbraw/zinc/01/58/43/375015843.db2.gz KFPVAQULWGLRCL-CQSZACIVSA-N 1 1 277.324 1.335 20 5 CDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302061390 375164021 /nfs/dbraw/zinc/16/40/21/375164021.db2.gz TVBSHAKWWYJPDX-UHFFFAOYSA-N 1 1 287.266 1.948 20 5 CDBDMO CCC[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299341759 375164318 /nfs/dbraw/zinc/16/43/18/375164318.db2.gz FCCRBCGDRJIOKG-UHFFFAOYSA-N 1 1 265.313 1.926 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000299611448 375185863 /nfs/dbraw/zinc/18/58/63/375185863.db2.gz YYCBYRWHMSSZNM-ZWNOBZJWSA-N 1 1 277.324 1.866 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000304273746 375424321 /nfs/dbraw/zinc/42/43/21/375424321.db2.gz ITDJRANJGDLHDX-SNVBAGLBSA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000304273746 375424325 /nfs/dbraw/zinc/42/43/25/375424325.db2.gz ITDJRANJGDLHDX-SNVBAGLBSA-N 1 1 268.288 1.938 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000050067255 375495163 /nfs/dbraw/zinc/49/51/63/375495163.db2.gz GVEZPBQNCBXQHF-UHFFFAOYSA-N 1 1 266.297 1.980 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011953 375623024 /nfs/dbraw/zinc/62/30/24/375623024.db2.gz YFPFIRNIHOHCBL-LLVKDONJSA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000355348525 375793421 /nfs/dbraw/zinc/79/34/21/375793421.db2.gz ZSGXSWDADIQDHN-NXEZZACHSA-N 1 1 252.318 1.949 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296589001 376548679 /nfs/dbraw/zinc/54/86/79/376548679.db2.gz RUGDSSMTJAPKIW-JTQLQIEISA-N 1 1 279.344 1.980 20 5 CDBDMO C[N@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000436213164 248232663 /nfs/dbraw/zinc/23/26/63/248232663.db2.gz XVDBOGUOPOBVSI-SECBINFHSA-N 1 1 250.302 1.620 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264924979 190144631 /nfs/dbraw/zinc/14/46/31/190144631.db2.gz QSCWXKHZSCSASZ-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345290858 377816655 /nfs/dbraw/zinc/81/66/55/377816655.db2.gz MHNSNNPACRSGAL-MWLCHTKSSA-N 1 1 292.339 1.390 20 5 CDBDMO CC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266042155 190225827 /nfs/dbraw/zinc/22/58/27/190225827.db2.gz PSCPMHQLGXGALX-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO CCC[N@H+](CC(=O)NC)Cc1cccc([N+](=O)[O-])c1C ZINC000056508342 378510484 /nfs/dbraw/zinc/51/04/84/378510484.db2.gz BCZITHLRLODNDL-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)Cc1cccc([N+](=O)[O-])c1C ZINC000056508342 378510487 /nfs/dbraw/zinc/51/04/87/378510487.db2.gz BCZITHLRLODNDL-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000441449365 249881188 /nfs/dbraw/zinc/88/11/88/249881188.db2.gz QIIZCBOZJKMTJO-MDZLAQPJSA-N 1 1 282.344 1.273 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC1 ZINC000446228499 250278152 /nfs/dbraw/zinc/27/81/52/250278152.db2.gz VFVPMTSWOKHIOZ-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO O=C(CC[N@@H+]1CC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266963104 190293739 /nfs/dbraw/zinc/29/37/39/190293739.db2.gz XLHIUQUMDQXORY-NSHDSACASA-N 1 1 293.323 1.238 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267041483 190298866 /nfs/dbraw/zinc/29/88/66/190298866.db2.gz PCDIXCSAYCJFRM-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267041483 190298867 /nfs/dbraw/zinc/29/88/67/190298867.db2.gz PCDIXCSAYCJFRM-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489923814 253017883 /nfs/dbraw/zinc/01/78/83/253017883.db2.gz OLIPJSNTFXTHBR-SECBINFHSA-N 1 1 276.300 1.260 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000268156607 285163965 /nfs/dbraw/zinc/16/39/65/285163965.db2.gz SIZQYIOMMXORRZ-LBPRGKRZSA-N 1 1 277.324 1.506 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186873934 390144734 /nfs/dbraw/zinc/14/47/34/390144734.db2.gz LTADVVNXZNBPPC-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338795416 390668838 /nfs/dbraw/zinc/66/88/38/390668838.db2.gz PACWBXMPISONJU-AOOOYVTPSA-N 1 1 292.339 1.223 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](CC)C[C@@H]1C ZINC000340872478 390946551 /nfs/dbraw/zinc/94/65/51/390946551.db2.gz ISUNQHXDSOSRCZ-JTQLQIEISA-N 1 1 281.360 1.650 20 5 CDBDMO C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411158900 390965923 /nfs/dbraw/zinc/96/59/23/390965923.db2.gz GYBZAIJSGXNLJO-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411158900 390965924 /nfs/dbraw/zinc/96/59/24/390965924.db2.gz GYBZAIJSGXNLJO-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000412070498 391103854 /nfs/dbraw/zinc/10/38/54/391103854.db2.gz OMSXVMXHEGYMSW-ZDUSSCGKSA-N 1 1 296.327 1.103 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000412070498 391103856 /nfs/dbraw/zinc/10/38/56/391103856.db2.gz OMSXVMXHEGYMSW-ZDUSSCGKSA-N 1 1 296.327 1.103 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CC=CCC2)c(F)c1 ZINC000413268207 391189425 /nfs/dbraw/zinc/18/94/25/391189425.db2.gz NXMKFQOTMQVFIV-UHFFFAOYSA-N 1 1 266.276 1.803 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)c(F)c1 ZINC000413268207 391189428 /nfs/dbraw/zinc/18/94/28/391189428.db2.gz NXMKFQOTMQVFIV-UHFFFAOYSA-N 1 1 266.276 1.803 20 5 CDBDMO COc1ccc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000488006507 391962603 /nfs/dbraw/zinc/96/26/03/391962603.db2.gz GGZVBHMOKGVPGK-ZIAGYGMSSA-N 1 1 296.323 1.449 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266739871 392091981 /nfs/dbraw/zinc/09/19/81/392091981.db2.gz NEOMOACVAQBRAI-SNVBAGLBSA-N 1 1 265.313 1.724 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000422013693 392950563 /nfs/dbraw/zinc/95/05/63/392950563.db2.gz DBOOWUKYHRGIPS-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO Cc1c(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423071985 392958294 /nfs/dbraw/zinc/95/82/94/392958294.db2.gz IKHVCCDZMZRKRA-KWCYVHTRSA-N 1 1 293.367 1.745 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282043117 393169812 /nfs/dbraw/zinc/16/98/12/393169812.db2.gz ARNPVUHSGYHTLR-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000231677256 140217171 /nfs/dbraw/zinc/21/71/71/140217171.db2.gz DDBCZSOFWFNCRK-GXSJLCMTSA-N 1 1 293.323 1.513 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343596372 152238065 /nfs/dbraw/zinc/23/80/65/152238065.db2.gz HCACDTPPAHQYGB-UWVGGRQHSA-N 1 1 267.333 1.531 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344029757 152395514 /nfs/dbraw/zinc/39/55/14/152395514.db2.gz AQXXZZHEPKAXEV-OCCSQVGLSA-N 1 1 294.355 1.274 20 5 CDBDMO Cn1c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000346313527 153136059 /nfs/dbraw/zinc/13/60/59/153136059.db2.gz GIFMOQYMXRRURX-AWEZNQCLSA-N 1 1 292.339 1.101 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000352315678 155090202 /nfs/dbraw/zinc/09/02/02/155090202.db2.gz OVAANHBFZUWCKH-UHFFFAOYSA-N 1 1 266.345 1.864 20 5 CDBDMO C[C@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353866172 156132750 /nfs/dbraw/zinc/13/27/50/156132750.db2.gz MITCSBRIGIRLDA-GXSJLCMTSA-N 1 1 284.337 1.260 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359576687 158293380 /nfs/dbraw/zinc/29/33/80/158293380.db2.gz FFMHMCPDJOSQQQ-CQSZACIVSA-N 1 1 296.323 1.057 20 5 CDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000362582333 159186009 /nfs/dbraw/zinc/18/60/09/159186009.db2.gz XNIOUBKCVHYMCE-JTQLQIEISA-N 1 1 297.359 1.026 20 5 CDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000362582333 159186012 /nfs/dbraw/zinc/18/60/12/159186012.db2.gz XNIOUBKCVHYMCE-JTQLQIEISA-N 1 1 297.359 1.026 20 5 CDBDMO COc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000020495250 171226988 /nfs/dbraw/zinc/22/69/88/171226988.db2.gz ZLGMPYWQJVKVLD-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020495510 171227391 /nfs/dbraw/zinc/22/73/91/171227391.db2.gz XFXSICIANCTXCV-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550160 196323588 /nfs/dbraw/zinc/32/35/88/196323588.db2.gz GJKMUONQOMTPNW-DGCLKSJQSA-N 1 1 298.339 1.301 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000408470891 275040884 /nfs/dbraw/zinc/04/08/84/275040884.db2.gz ROZQEQYZRHUMRE-UHFFFAOYSA-N 1 1 280.303 1.803 20 5 CDBDMO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048445997 276558164 /nfs/dbraw/zinc/55/81/64/276558164.db2.gz XWAODCNMOIMUEC-WDEREUQCSA-N 1 1 279.340 1.988 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184706 277061880 /nfs/dbraw/zinc/06/18/80/277061880.db2.gz XNMQIPSBSDYCOA-CYBMUJFWSA-N 1 1 290.367 1.832 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891152 277182013 /nfs/dbraw/zinc/18/20/13/277182013.db2.gz AZHGJHIJSSFLIN-UWVGGRQHSA-N 1 1 282.369 1.972 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342565773 278366078 /nfs/dbraw/zinc/36/60/78/278366078.db2.gz PKEQFOHREKOBMX-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000108422829 279306642 /nfs/dbraw/zinc/30/66/42/279306642.db2.gz ZXUNYKYBTLCHMT-UHFFFAOYSA-N 1 1 271.342 1.613 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000277899872 281012259 /nfs/dbraw/zinc/01/22/59/281012259.db2.gz XOELGJLFATVJFR-QWHCGFSZSA-N 1 1 293.367 1.795 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C)CC1 ZINC000192897065 281256765 /nfs/dbraw/zinc/25/67/65/281256765.db2.gz BZDFQMGIIIWCEZ-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000278020504 281257595 /nfs/dbraw/zinc/25/75/95/281257595.db2.gz QCAOPQHQRISSFT-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000551899977 290023633 /nfs/dbraw/zinc/02/36/33/290023633.db2.gz KDHVMCLYFRGVFA-UHFFFAOYSA-N 1 1 295.343 1.264 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000568851140 294110449 /nfs/dbraw/zinc/11/04/49/294110449.db2.gz JUWTXCYTKBNBKJ-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000568851140 294110450 /nfs/dbraw/zinc/11/04/50/294110450.db2.gz JUWTXCYTKBNBKJ-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354185 294222996 /nfs/dbraw/zinc/22/29/96/294222996.db2.gz VJFMKYGYXBXGFH-JSGCOSHPSA-N 1 1 295.383 1.866 20 5 CDBDMO CC[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000563483211 316317498 /nfs/dbraw/zinc/31/74/98/316317498.db2.gz WXJNOKFRYXAFJZ-GFCCVEGCSA-N 1 1 291.351 1.862 20 5 CDBDMO C[C@H]1CCNC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580819 324221842 /nfs/dbraw/zinc/22/18/42/324221842.db2.gz MYMWKTWHTXKUCZ-SMDDNHRTSA-N 1 1 279.340 1.561 20 5 CDBDMO CCOC1CC2(C1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000367759231 521654239 /nfs/dbraw/zinc/65/42/39/521654239.db2.gz XNOAKIZAPBANRU-UHFFFAOYSA-N 1 1 294.355 1.682 20 5 CDBDMO C[N@@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000067412006 523004134 /nfs/dbraw/zinc/00/41/34/523004134.db2.gz KWCUCXPJLBWAFM-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067651509 523500510 /nfs/dbraw/zinc/50/05/10/523500510.db2.gz RONDMWFAZMJOSW-NSHDSACASA-N 1 1 296.323 1.715 20 5 CDBDMO CN1CCN(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000020128512 523898831 /nfs/dbraw/zinc/89/88/31/523898831.db2.gz NWCWRBQPNYSGOK-UHFFFAOYSA-N 1 1 292.383 1.322 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCn1cccn1 ZINC000111282717 525458497 /nfs/dbraw/zinc/45/84/97/525458497.db2.gz BTAYDQMGMJLDJD-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCn1cccn1 ZINC000111282717 525458507 /nfs/dbraw/zinc/45/85/07/525458507.db2.gz BTAYDQMGMJLDJD-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000774855880 575246736 /nfs/dbraw/zinc/24/67/36/575246736.db2.gz AROYZXKHPJBCLB-UHFFFAOYSA-N 1 1 295.295 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000774855880 575246738 /nfs/dbraw/zinc/24/67/38/575246738.db2.gz AROYZXKHPJBCLB-UHFFFAOYSA-N 1 1 295.295 1.707 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765059270 575980883 /nfs/dbraw/zinc/98/08/83/575980883.db2.gz BEIFPUHYLPWAQV-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765059270 575980888 /nfs/dbraw/zinc/98/08/88/575980888.db2.gz BEIFPUHYLPWAQV-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000766969994 576151242 /nfs/dbraw/zinc/15/12/42/576151242.db2.gz YMGSDBMNPZGEKM-SNVBAGLBSA-N 1 1 296.327 1.360 20 5 CDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000748490469 576914836 /nfs/dbraw/zinc/91/48/36/576914836.db2.gz ABKJOXMHOOZIIW-UHFFFAOYSA-N 1 1 284.268 1.067 20 5 CDBDMO CON1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846976437 617368004 /nfs/dbraw/zinc/36/80/04/617368004.db2.gz MCKQKCUHUKZWJF-UHFFFAOYSA-N 1 1 265.313 1.316 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891781903 617586363 /nfs/dbraw/zinc/58/63/63/617586363.db2.gz LVWCEUOXZGBTLF-SECBINFHSA-N 1 1 265.317 1.225 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c([N+](=O)[O-])cnn1C ZINC000892697950 617599612 /nfs/dbraw/zinc/59/96/12/617599612.db2.gz ZHEYKSUUFVKFKK-LLVKDONJSA-N 1 1 281.360 1.639 20 5 CDBDMO C[C@H]([NH2+][C@@H]1C(=O)NCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000931663707 617618066 /nfs/dbraw/zinc/61/80/66/617618066.db2.gz VFMSMTXVEOXKHW-JOYOIKCWSA-N 1 1 277.324 1.770 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893471905 617964300 /nfs/dbraw/zinc/96/43/00/617964300.db2.gz JDVBCURAYWNLEJ-NXEZZACHSA-N 1 1 296.323 1.512 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000893549392 618098706 /nfs/dbraw/zinc/09/87/06/618098706.db2.gz SLWDVTSIRHOJEA-AOOOYVTPSA-N 1 1 292.295 1.501 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c[nH]cn2)cc1 ZINC000894229425 618738912 /nfs/dbraw/zinc/73/89/12/618738912.db2.gz RBXHZUOTTIBFLP-UHFFFAOYSA-N 1 1 262.269 1.487 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC000895247116 619493529 /nfs/dbraw/zinc/49/35/29/619493529.db2.gz SXJAIUKYWSRQNI-RKDXNWHRSA-N 1 1 285.373 1.098 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCN1C ZINC000895247116 619493535 /nfs/dbraw/zinc/49/35/35/619493535.db2.gz SXJAIUKYWSRQNI-RKDXNWHRSA-N 1 1 285.373 1.098 20 5 CDBDMO Cc1[nH+]ccn1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000896315656 620057622 /nfs/dbraw/zinc/05/76/22/620057622.db2.gz RRARAYRQYLOFRB-UHFFFAOYSA-N 1 1 279.300 1.611 20 5 CDBDMO NC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412755 624736599 /nfs/dbraw/zinc/73/65/99/624736599.db2.gz CXWMYLPBFVBPKR-ZDUSSCGKSA-N 1 1 275.352 1.997 20 5 CDBDMO COCC[C@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000903838142 626110236 /nfs/dbraw/zinc/11/02/36/626110236.db2.gz VJVXJSYXPPFORC-LBPRGKRZSA-N 1 1 295.339 1.111 20 5 CDBDMO CC[NH+](CC)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905023982 626389395 /nfs/dbraw/zinc/38/93/95/626389395.db2.gz GWPWTZHUEHCNPL-UHFFFAOYSA-N 1 1 265.357 1.895 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000905116491 626627962 /nfs/dbraw/zinc/62/79/62/626627962.db2.gz CSQHLLQFMRHZJL-UHFFFAOYSA-N 1 1 281.312 1.006 20 5 CDBDMO O=[N+]([O-])CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000905097972 626637714 /nfs/dbraw/zinc/63/77/14/626637714.db2.gz PJVVGKWSQBFZHU-OAHLLOKOSA-N 1 1 277.368 1.417 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000910287418 628963564 /nfs/dbraw/zinc/96/35/64/628963564.db2.gz GUPBPFYZSXHMEI-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO C[C@@H]([NH2+]C1CC1)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843222812 695223848 /nfs/dbraw/zinc/22/38/48/695223848.db2.gz KPQRATUGSJNWMC-ZCFIWIBFSA-N 1 1 278.272 1.191 20 5 CDBDMO COCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000929390845 695381526 /nfs/dbraw/zinc/38/15/26/695381526.db2.gz ANYNERUEJWPDQK-LBPRGKRZSA-N 1 1 252.314 1.973 20 5 CDBDMO COCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000929390845 695381528 /nfs/dbraw/zinc/38/15/28/695381528.db2.gz ANYNERUEJWPDQK-LBPRGKRZSA-N 1 1 252.314 1.973 20 5 CDBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000778118531 695706416 /nfs/dbraw/zinc/70/64/16/695706416.db2.gz WPUHJZJVTCHBDM-JOYOIKCWSA-N 1 1 291.311 1.108 20 5 CDBDMO C[NH+]1CCC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818940886 695746374 /nfs/dbraw/zinc/74/63/74/695746374.db2.gz IYBWVUVAUMJAEP-CQSZACIVSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+]1C ZINC000827739922 695748654 /nfs/dbraw/zinc/74/86/54/695748654.db2.gz SZULRCQSSUQYHJ-MNOVXSKESA-N 1 1 271.361 1.373 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886232107 695810383 /nfs/dbraw/zinc/81/03/83/695810383.db2.gz PVVJQJSEAUTHNM-CMPLNLGQSA-N 1 1 265.313 1.847 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886575025 695825058 /nfs/dbraw/zinc/82/50/58/695825058.db2.gz CBTPMOKWPHGHOB-ATGSNQNLSA-N 1 1 292.335 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519960 695868461 /nfs/dbraw/zinc/86/84/61/695868461.db2.gz VABYWOYYTRRHDI-UONOGXRCSA-N 1 1 275.352 1.679 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519960 695868462 /nfs/dbraw/zinc/86/84/62/695868462.db2.gz VABYWOYYTRRHDI-UONOGXRCSA-N 1 1 275.352 1.679 20 5 CDBDMO COC(=O)C[C@@](C)([NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000930250434 696077308 /nfs/dbraw/zinc/07/73/08/696077308.db2.gz JULSIBAWSGYGLG-CQSZACIVSA-N 1 1 296.323 1.340 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581659 696089567 /nfs/dbraw/zinc/08/95/67/696089567.db2.gz GJOLQPJYKNYNRG-CQSZACIVSA-N 1 1 296.367 1.969 20 5 CDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879188850 696121475 /nfs/dbraw/zinc/12/14/75/696121475.db2.gz QSARVRTZAMJTDN-CQSZACIVSA-N 1 1 290.323 1.792 20 5 CDBDMO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968305 696204634 /nfs/dbraw/zinc/20/46/34/696204634.db2.gz JFSAWPUFIFVYIP-CMPLNLGQSA-N 1 1 278.356 1.970 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473773 723698144 /nfs/dbraw/zinc/69/81/44/723698144.db2.gz WAOPQNXSVLUCHL-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1CCO ZINC000829015482 723703894 /nfs/dbraw/zinc/70/38/94/723703894.db2.gz KNRBQUBTMXGLTD-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@@H+]1CCO ZINC000829015482 723703896 /nfs/dbraw/zinc/70/38/96/723703896.db2.gz KNRBQUBTMXGLTD-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590451 723706003 /nfs/dbraw/zinc/70/60/03/723706003.db2.gz GMPYEERBSMKGLP-CQDKDKBSSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@H](CN)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349983 723764968 /nfs/dbraw/zinc/76/49/68/723764968.db2.gz BKJDLDOWOIIRJT-SECBINFHSA-N 1 1 298.318 1.342 20 5 CDBDMO C[C@H](CN)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349983 723764969 /nfs/dbraw/zinc/76/49/69/723764969.db2.gz BKJDLDOWOIIRJT-SECBINFHSA-N 1 1 298.318 1.342 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052042 723816696 /nfs/dbraw/zinc/81/66/96/723816696.db2.gz KGKBGNRTUGMSEK-ZIAGYGMSSA-N 1 1 269.389 1.850 20 5 CDBDMO COC[C@](C)(CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000716803989 723821158 /nfs/dbraw/zinc/82/11/58/723821158.db2.gz WHUIAPWAELEMEH-LBPRGKRZSA-N 1 1 272.276 1.221 20 5 CDBDMO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000852432564 723859875 /nfs/dbraw/zinc/85/98/75/723859875.db2.gz IGTSCSFVTCMOSE-GFCCVEGCSA-N 1 1 291.307 1.621 20 5 CDBDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000852432564 723859876 /nfs/dbraw/zinc/85/98/76/723859876.db2.gz IGTSCSFVTCMOSE-GFCCVEGCSA-N 1 1 291.307 1.621 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000832781249 723870824 /nfs/dbraw/zinc/87/08/24/723870824.db2.gz AIMDAXALYIWMIM-DOMZBBRYSA-N 1 1 294.351 1.723 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839536867 724104798 /nfs/dbraw/zinc/10/47/98/724104798.db2.gz RQVJAWQKXAMTLU-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839536867 724104809 /nfs/dbraw/zinc/10/48/09/724104809.db2.gz RQVJAWQKXAMTLU-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839536867 724104820 /nfs/dbraw/zinc/10/48/20/724104820.db2.gz RQVJAWQKXAMTLU-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000110733014 724220106 /nfs/dbraw/zinc/22/01/06/724220106.db2.gz AURHOXRNIVDUBJ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1(C)C ZINC000110733014 724220117 /nfs/dbraw/zinc/22/01/17/724220117.db2.gz AURHOXRNIVDUBJ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000930506889 724364667 /nfs/dbraw/zinc/36/46/67/724364667.db2.gz ZKLQZJXKYBALCN-LLVKDONJSA-N 1 1 258.705 1.894 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314289 724525776 /nfs/dbraw/zinc/52/57/76/724525776.db2.gz RQQGIVLEOVYXMR-LBPRGKRZSA-N 1 1 279.340 1.973 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000815181151 725926934 /nfs/dbraw/zinc/92/69/34/725926934.db2.gz MFINTGNBQDLMCK-GXFFZTMASA-N 1 1 268.313 1.331 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164638661 719198974 /nfs/dbraw/zinc/19/89/74/719198974.db2.gz RBPUQQOWCPBQLD-RKDXNWHRSA-N 1 1 295.343 1.231 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164638661 719198979 /nfs/dbraw/zinc/19/89/79/719198979.db2.gz RBPUQQOWCPBQLD-RKDXNWHRSA-N 1 1 295.343 1.231 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930346867 724581059 /nfs/dbraw/zinc/58/10/59/724581059.db2.gz BOBDHUONQMAFQU-ZDUSSCGKSA-N 1 1 287.360 1.500 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930346867 724581063 /nfs/dbraw/zinc/58/10/63/724581063.db2.gz BOBDHUONQMAFQU-ZDUSSCGKSA-N 1 1 287.360 1.500 20 5 CDBDMO CN(CC(F)F)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951832 724767162 /nfs/dbraw/zinc/76/71/62/724767162.db2.gz RFTDQCPBNJTMLJ-LBPRGKRZSA-N 1 1 287.266 1.492 20 5 CDBDMO CC(=O)c1c(NCC[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000884826212 724803775 /nfs/dbraw/zinc/80/37/75/724803775.db2.gz ORZYSHZXPUXVPK-UHFFFAOYSA-N 1 1 281.312 1.133 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063313 723839584 /nfs/dbraw/zinc/83/95/84/723839584.db2.gz JYGRLSPCUOYJDX-VXGBXAGGSA-N 1 1 285.388 1.621 20 5 CDBDMO C[C@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062004 725144174 /nfs/dbraw/zinc/14/41/74/725144174.db2.gz XCXPYGCLHAHJGZ-HZMBPMFUSA-N 1 1 280.324 1.301 20 5 CDBDMO C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062004 725144175 /nfs/dbraw/zinc/14/41/75/725144175.db2.gz XCXPYGCLHAHJGZ-HZMBPMFUSA-N 1 1 280.324 1.301 20 5 CDBDMO Cc1c(C[NH2+]Cc2cn(C)cn2)cccc1[N+](=O)[O-] ZINC000311924755 725292052 /nfs/dbraw/zinc/29/20/52/725292052.db2.gz HEHSAKCMUZIUQL-UHFFFAOYSA-N 1 1 260.297 1.927 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000062351061 725349378 /nfs/dbraw/zinc/34/93/78/725349378.db2.gz DTLKASOHFFJUJP-WDMOLILDSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000062351061 725349381 /nfs/dbraw/zinc/34/93/81/725349381.db2.gz DTLKASOHFFJUJP-WDMOLILDSA-N 1 1 280.324 1.737 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000886081078 725373519 /nfs/dbraw/zinc/37/35/19/725373519.db2.gz IPJOHDQHWONLGC-DGCLKSJQSA-N 1 1 277.324 1.848 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000797520889 725416197 /nfs/dbraw/zinc/41/61/97/725416197.db2.gz OIABWKOQVBQGHX-RISCZKNCSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000797520889 725416198 /nfs/dbraw/zinc/41/61/98/725416198.db2.gz OIABWKOQVBQGHX-RISCZKNCSA-N 1 1 278.308 1.418 20 5 CDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280527 725421072 /nfs/dbraw/zinc/42/10/72/725421072.db2.gz GIDLERJQBCFQJV-DGCLKSJQSA-N 1 1 263.297 1.458 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853581446 725603985 /nfs/dbraw/zinc/60/39/85/725603985.db2.gz VGZVHTODNSRRKC-GHMZBOCLSA-N 1 1 250.302 1.707 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853581446 725603991 /nfs/dbraw/zinc/60/39/91/725603991.db2.gz VGZVHTODNSRRKC-GHMZBOCLSA-N 1 1 250.302 1.707 20 5 CDBDMO CCN(CC(=O)NC)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865578357 725669906 /nfs/dbraw/zinc/66/99/06/725669906.db2.gz APAIBMQVHDZVAJ-UHFFFAOYSA-N 1 1 288.307 1.715 20 5 CDBDMO C[N@@H+](CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000840675428 726008431 /nfs/dbraw/zinc/00/84/31/726008431.db2.gz YLQJMDHIQKCVIG-CHWSQXEVSA-N 1 1 278.308 1.327 20 5 CDBDMO C[N@H+](CCOC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000840675428 726008432 /nfs/dbraw/zinc/00/84/32/726008432.db2.gz YLQJMDHIQKCVIG-CHWSQXEVSA-N 1 1 278.308 1.327 20 5 CDBDMO C[N@@H+](CCOC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000840675428 726008433 /nfs/dbraw/zinc/00/84/33/726008433.db2.gz YLQJMDHIQKCVIG-CHWSQXEVSA-N 1 1 278.308 1.327 20 5 CDBDMO Cc1c[n+]([O-])c(NCc2ccc(N)[nH+]c2C)cc1[N+](=O)[O-] ZINC001167782726 900547537 /nfs/dbraw/zinc/54/75/37/900547537.db2.gz YPEVHLWMQAIRDW-UHFFFAOYSA-N 1 1 289.295 1.434 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629101 903402517 /nfs/dbraw/zinc/40/25/17/903402517.db2.gz DQVNOEUAOPMHOZ-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO CCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126938869 909964711 /nfs/dbraw/zinc/96/47/11/909964711.db2.gz KIRMCFQBYUQNKU-ZIAGYGMSSA-N 1 1 291.351 1.120 20 5 CDBDMO CN1CCN(C(=[NH2+])Nc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001168734909 921811991 /nfs/dbraw/zinc/81/19/91/921811991.db2.gz DGPWFYJHWXGNEW-UHFFFAOYSA-N 1 1 298.734 1.237 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]1(C)CCC[N@H+](C)C1 ZINC001162337520 922341461 /nfs/dbraw/zinc/34/14/61/922341461.db2.gz PXFHOHXNFNOXHF-ZDUSSCGKSA-N 1 1 280.328 1.433 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977172 927562915 /nfs/dbraw/zinc/56/29/15/927562915.db2.gz IQYNTOBZRSMBPV-JHJVBQTASA-N 1 1 255.362 1.506 20 5 CDBDMO NCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956635 927576647 /nfs/dbraw/zinc/57/66/47/927576647.db2.gz CBZLWWZQJURPFT-CABCVRRESA-N 1 1 277.368 1.893 20 5 CDBDMO CC(C)(C)OC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964818 927587591 /nfs/dbraw/zinc/58/75/91/927587591.db2.gz WLMXJHWHFWBHHS-UWVGGRQHSA-N 1 1 258.318 1.363 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2noc(C(F)(F)F)n2)C1 ZINC001168968882 927592608 /nfs/dbraw/zinc/59/26/08/927592608.db2.gz AQLMCDPNOGSORO-NKWVEPMBSA-N 1 1 294.233 1.623 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(C3COC3)CC2)C1 ZINC001169006781 927610700 /nfs/dbraw/zinc/61/07/00/927610700.db2.gz YXFJROABDPBEPV-KBPBESRZSA-N 1 1 297.399 1.132 20 5 CDBDMO CC(C)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006437 927611442 /nfs/dbraw/zinc/61/14/42/927611442.db2.gz IFSSVUNJVVYSET-NWDGAFQWSA-N 1 1 257.378 1.880 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169028922 927635346 /nfs/dbraw/zinc/63/53/46/927635346.db2.gz SUTRDHLPEDMSMH-RDBSUJKOSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001169028922 927635353 /nfs/dbraw/zinc/63/53/53/927635353.db2.gz SUTRDHLPEDMSMH-RDBSUJKOSA-N 1 1 267.373 1.602 20 5 CDBDMO CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029090 927636070 /nfs/dbraw/zinc/63/60/70/927636070.db2.gz UGTUMJIHCIWKSY-GXTWGEPZSA-N 1 1 269.389 1.848 20 5 CDBDMO CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033289 927640896 /nfs/dbraw/zinc/64/08/96/927640896.db2.gz BSDNSWHOFIBNET-AGIUHOORSA-N 1 1 256.346 1.789 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CCO)C2)C1 ZINC001169034983 927641851 /nfs/dbraw/zinc/64/18/51/927641851.db2.gz JLZVXPFOTAZVDK-XQQFMLRXSA-N 1 1 256.346 1.526 20 5 CDBDMO COC(=O)CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037526 927646799 /nfs/dbraw/zinc/64/67/99/927646799.db2.gz SBJLCBZMCRIBQN-JHJVBQTASA-N 1 1 284.356 1.707 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038649 927651086 /nfs/dbraw/zinc/65/10/86/927651086.db2.gz JVIIVSBMIQUAJI-AVGNSLFASA-N 1 1 284.356 1.707 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(Oc3cccnc3)C2)C1 ZINC001169025405 927663572 /nfs/dbraw/zinc/66/35/72/927663572.db2.gz IPABVDFTHYQLTD-RYUDHWBXSA-N 1 1 277.324 1.590 20 5 CDBDMO C[N@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051310 927669545 /nfs/dbraw/zinc/66/95/45/927669545.db2.gz CYECTABGMAQDKJ-ZIAGYGMSSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057496 927675715 /nfs/dbraw/zinc/67/57/15/927675715.db2.gz WATRSLXHYZEEAL-LJISPDSOSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057496 927675720 /nfs/dbraw/zinc/67/57/20/927675720.db2.gz WATRSLXHYZEEAL-LJISPDSOSA-N 1 1 299.390 1.940 20 5 CDBDMO [NH3+]Cc1ccn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001169726128 928347205 /nfs/dbraw/zinc/34/72/05/928347205.db2.gz SMCAGVADYUHOQA-UHFFFAOYSA-N 1 1 257.253 1.721 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cn[nH]c1)C2 ZINC001117813336 937556695 /nfs/dbraw/zinc/55/66/95/937556695.db2.gz LGFQOKJEAFSPJL-UHFFFAOYSA-N 1 1 258.281 1.876 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cn[nH]c1)C2 ZINC001117813336 937556697 /nfs/dbraw/zinc/55/66/97/937556697.db2.gz LGFQOKJEAFSPJL-UHFFFAOYSA-N 1 1 258.281 1.876 20 5 CDBDMO CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506260 932525378 /nfs/dbraw/zinc/52/53/78/932525378.db2.gz FEYPCYPOZPTHCB-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506260 932525392 /nfs/dbraw/zinc/52/53/92/932525392.db2.gz FEYPCYPOZPTHCB-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506260 932525401 /nfs/dbraw/zinc/52/54/01/932525401.db2.gz FEYPCYPOZPTHCB-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO C[NH2+][C@H]1CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001156660235 938402786 /nfs/dbraw/zinc/40/27/86/938402786.db2.gz MVKWMWKLCRJHTC-SNVBAGLBSA-N 1 1 293.714 1.947 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001157021634 938446746 /nfs/dbraw/zinc/44/67/46/938446746.db2.gz PRBOOEDXIIBJCN-SNVBAGLBSA-N 1 1 279.344 1.491 20 5 CDBDMO CCN(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C1C[NH+](C)C1 ZINC001157456844 938495120 /nfs/dbraw/zinc/49/51/20/938495120.db2.gz WHLHSCRBMALLBB-UHFFFAOYSA-N 1 1 275.312 1.611 20 5 CDBDMO COc1cc(NC2C[NH+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157526692 938504610 /nfs/dbraw/zinc/50/46/10/938504610.db2.gz WGOFTGBTHQLXOT-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767659 938542789 /nfs/dbraw/zinc/54/27/89/938542789.db2.gz RENAIYDRAUQIBC-OPVGQWETSA-N 1 1 269.345 1.104 20 5 CDBDMO Nc1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])c2cnccc21 ZINC001160950800 938848799 /nfs/dbraw/zinc/84/87/99/938848799.db2.gz SLDIUFNIQLSCCC-UHFFFAOYSA-N 1 1 298.306 1.412 20 5 CDBDMO COc1cnc(N[C@@]2(C)CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162340546 939029828 /nfs/dbraw/zinc/02/98/28/939029828.db2.gz DRVAXQCLRGJICD-ZDUSSCGKSA-N 1 1 280.328 1.895 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001162818955 939149621 /nfs/dbraw/zinc/14/96/21/939149621.db2.gz MXISFHMFUMOCTP-NSHDSACASA-N 1 1 281.360 1.718 20 5 CDBDMO CC[NH+](CC)CCNC(=N)Nc1ncc(F)cc1[N+](=O)[O-] ZINC001163122268 939204015 /nfs/dbraw/zinc/20/40/15/939204015.db2.gz FZABUZCRGKWGTE-UHFFFAOYSA-N 1 1 298.322 1.407 20 5 CDBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CCC[NH2+]C1 ZINC001218286955 941052566 /nfs/dbraw/zinc/05/25/66/941052566.db2.gz WLOVCAJDNACXBO-SECBINFHSA-N 1 1 262.269 1.602 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)OCc1cccc([N+](=O)[O-])c1 ZINC001222769605 941632922 /nfs/dbraw/zinc/63/29/22/941632922.db2.gz WBVLXSPKYBEWKQ-LBPRGKRZSA-N 1 1 280.324 1.832 20 5 CDBDMO COc1cc(CO[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223905082 941706040 /nfs/dbraw/zinc/70/60/40/941706040.db2.gz BLPSNQMTGWPYOP-NSHDSACASA-N 1 1 296.323 1.833 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@H]1CCCC[N@H+]1C ZINC001224702562 941784461 /nfs/dbraw/zinc/78/44/61/941784461.db2.gz NLOVCUCUCQFITQ-WCQYABFASA-N 1 1 296.371 1.989 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225592534 941885611 /nfs/dbraw/zinc/88/56/11/941885611.db2.gz HVTPFFGRYVDUKU-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ncccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225592534 941885612 /nfs/dbraw/zinc/88/56/12/941885612.db2.gz HVTPFFGRYVDUKU-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO Cc1[nH]c(=O)cc(OC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001228687402 942357467 /nfs/dbraw/zinc/35/74/67/942357467.db2.gz WVCVYNYBDDTHHN-UHFFFAOYSA-N 1 1 267.285 1.475 20 5 CDBDMO CCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001230960516 942743172 /nfs/dbraw/zinc/74/31/72/942743172.db2.gz MGQVDDWVIIERRV-UHFFFAOYSA-N 1 1 279.340 1.943 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233576232 943620470 /nfs/dbraw/zinc/62/04/70/943620470.db2.gz WFDJFMIBGLOAPD-SECBINFHSA-N 1 1 281.268 1.976 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](O)C1)C2 ZINC001254600246 947549812 /nfs/dbraw/zinc/54/98/12/947549812.db2.gz RFYPLHNGOUHZTC-ZIAGYGMSSA-N 1 1 262.309 1.519 20 5 CDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600913 947550600 /nfs/dbraw/zinc/55/06/00/947550600.db2.gz WQSDKNJZYQOYIU-WKPIXPDZSA-N 1 1 276.336 1.907 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3C[C@H]1CO3)C2 ZINC001254604336 947553428 /nfs/dbraw/zinc/55/34/28/947553428.db2.gz VPUPHEGPROJPQS-RDBSUJKOSA-N 1 1 260.293 1.535 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNCCC1=O ZINC001246295784 948088650 /nfs/dbraw/zinc/08/86/50/948088650.db2.gz VQEQWFZZLWYFHY-CMPLNLGQSA-N 1 1 277.324 1.046 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1=O ZINC001246295784 948088661 /nfs/dbraw/zinc/08/86/61/948088661.db2.gz VQEQWFZZLWYFHY-CMPLNLGQSA-N 1 1 277.324 1.046 20 5 CDBDMO N[C@]12C[C@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865910 948491838 /nfs/dbraw/zinc/49/18/38/948491838.db2.gz DESZRUCZPSPAIJ-UBHSHLNASA-N 1 1 259.309 1.095 20 5 CDBDMO N[C@]12C[C@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865910 948491841 /nfs/dbraw/zinc/49/18/41/948491841.db2.gz DESZRUCZPSPAIJ-UBHSHLNASA-N 1 1 259.309 1.095 20 5 CDBDMO C[C@H](N)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246980645 948559909 /nfs/dbraw/zinc/55/99/09/948559909.db2.gz JZHWSHDHPGJRGC-LBPRGKRZSA-N 1 1 292.383 1.843 20 5 CDBDMO C[C@H](N)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246980645 948559915 /nfs/dbraw/zinc/55/99/15/948559915.db2.gz JZHWSHDHPGJRGC-LBPRGKRZSA-N 1 1 292.383 1.843 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001327614872 954961398 /nfs/dbraw/zinc/96/13/98/954961398.db2.gz AHBWYBZRVPLHRX-SNVBAGLBSA-N 1 1 262.313 1.369 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@H+](C)C1CC1 ZINC001328517281 955321693 /nfs/dbraw/zinc/32/16/93/955321693.db2.gz WRYGSSLONGFPLZ-UHFFFAOYSA-N 1 1 250.302 1.226 20 5 CDBDMO Nc1[nH+]ccc2c1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001307229773 956384251 /nfs/dbraw/zinc/38/42/51/956384251.db2.gz HBEXAOSILFIVDF-UHFFFAOYSA-N 1 1 289.270 1.669 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183693 342489179 /nfs/dbraw/zinc/48/91/79/342489179.db2.gz CIZAJQLMMIKUQZ-MNOVXSKESA-N 1 1 262.313 1.378 20 5 CDBDMO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591144628 342618465 /nfs/dbraw/zinc/61/84/65/342618465.db2.gz GXJAKVSCEMXVIW-UHFFFAOYSA-N 1 1 298.318 1.022 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593027079 342759755 /nfs/dbraw/zinc/75/97/55/342759755.db2.gz KQNIHHQIARADKM-CYBMUJFWSA-N 1 1 293.371 1.522 20 5 CDBDMO CN1CCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593027079 342759756 /nfs/dbraw/zinc/75/97/56/342759756.db2.gz KQNIHHQIARADKM-CYBMUJFWSA-N 1 1 293.371 1.522 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000593695203 342824131 /nfs/dbraw/zinc/82/41/31/342824131.db2.gz YNPGHTFCEQPLKT-SNVBAGLBSA-N 1 1 298.339 1.815 20 5 CDBDMO C[C@@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065455 342870294 /nfs/dbraw/zinc/87/02/94/342870294.db2.gz PQTZPKRIOJTQMM-SECBINFHSA-N 1 1 293.323 1.039 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065455 342870295 /nfs/dbraw/zinc/87/02/95/342870295.db2.gz PQTZPKRIOJTQMM-SECBINFHSA-N 1 1 293.323 1.039 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)CO ZINC000595322624 343035875 /nfs/dbraw/zinc/03/58/75/343035875.db2.gz TUAZBOYBMGZFTB-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075721833 342312576 /nfs/dbraw/zinc/31/25/76/342312576.db2.gz LLFCQLJNBDXXHT-SECBINFHSA-N 1 1 276.300 1.435 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595405557 343050072 /nfs/dbraw/zinc/05/00/72/343050072.db2.gz YCIJUFCELBXYML-VHSXEESVSA-N 1 1 282.344 1.806 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269351 342320413 /nfs/dbraw/zinc/32/04/13/342320413.db2.gz LWWROQUEAMVYGM-SECBINFHSA-N 1 1 280.332 1.111 20 5 CDBDMO CC[C@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595462262 343070849 /nfs/dbraw/zinc/07/08/49/343070849.db2.gz SRTLOLWGXKRVHS-NSHDSACASA-N 1 1 255.274 1.550 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000595543028 343093979 /nfs/dbraw/zinc/09/39/79/343093979.db2.gz HWUCEXWWUVAGBY-AXFHLTTASA-N 1 1 281.312 1.484 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595805993 343158910 /nfs/dbraw/zinc/15/89/10/343158910.db2.gz CQIXFAYQVMQUKG-YRGRVCCFSA-N 1 1 292.335 1.676 20 5 CDBDMO C[C@H]([C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596116165 343231783 /nfs/dbraw/zinc/23/17/83/343231783.db2.gz ZALWARPBSCTKLB-VHSXEESVSA-N 1 1 296.327 1.217 20 5 CDBDMO Nc1ccc(NCC[NH+]2Cc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596097162 343235570 /nfs/dbraw/zinc/23/55/70/343235570.db2.gz FOTGTHPWFUKVNK-UHFFFAOYSA-N 1 1 299.334 1.422 20 5 CDBDMO Nc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298620 343291648 /nfs/dbraw/zinc/29/16/48/343291648.db2.gz YXEIUGGHOIVMCL-VXGBXAGGSA-N 1 1 291.355 1.423 20 5 CDBDMO CCOc1cc(C[N@@H+](CCO)CCOC)ccc1[N+](=O)[O-] ZINC000276969747 362253643 /nfs/dbraw/zinc/25/36/43/362253643.db2.gz WUDKBKWPCMCUGT-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CCCc1[nH+]ccn1CCn1c(C)ncc1[N+](=O)[O-] ZINC000601913088 344279697 /nfs/dbraw/zinc/27/96/97/344279697.db2.gz PAEJLZXPQUBXIT-UHFFFAOYSA-N 1 1 263.301 1.949 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCCC3)nc2c1 ZINC000602586737 344478033 /nfs/dbraw/zinc/47/80/33/344478033.db2.gz NVPBTQZURXCYMA-UHFFFAOYSA-N 1 1 290.323 1.921 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000602778645 344594488 /nfs/dbraw/zinc/59/44/88/344594488.db2.gz MSOFMKSXSXDTGF-VHSXEESVSA-N 1 1 252.318 1.830 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000602780800 344596282 /nfs/dbraw/zinc/59/62/82/344596282.db2.gz LRRNTNBFVCHLHI-ZJUUUORDSA-N 1 1 284.385 1.926 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000602795568 344586343 /nfs/dbraw/zinc/58/63/43/344586343.db2.gz NMMDFAIHNRZOBX-NEPJUHHUSA-N 1 1 282.344 1.193 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000602798629 344589401 /nfs/dbraw/zinc/58/94/01/344589401.db2.gz QXSWDFSSAZWXAP-ZYHUDNBSSA-N 1 1 282.344 1.193 20 5 CDBDMO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000292692074 362491260 /nfs/dbraw/zinc/49/12/60/362491260.db2.gz RPPZFQPBRONONK-LLVKDONJSA-N 1 1 297.330 1.545 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000602810895 344602718 /nfs/dbraw/zinc/60/27/18/344602718.db2.gz IMRPCQZNATXJGM-NEPJUHHUSA-N 1 1 264.329 1.974 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903712 344655620 /nfs/dbraw/zinc/65/56/20/344655620.db2.gz AQHHAQBAYQRQFO-ZANVPECISA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903712 344655623 /nfs/dbraw/zinc/65/56/23/344655623.db2.gz AQHHAQBAYQRQFO-ZANVPECISA-N 1 1 284.287 1.052 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000602881632 344633376 /nfs/dbraw/zinc/63/33/76/344633376.db2.gz GHEYPWYHQWQDAP-YPMHNXCESA-N 1 1 296.371 1.583 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670898 345988744 /nfs/dbraw/zinc/98/87/44/345988744.db2.gz RBHUMZAQKGGCDY-NSHDSACASA-N 1 1 264.329 1.768 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295138142 199366625 /nfs/dbraw/zinc/36/66/25/199366625.db2.gz PLULWIKNBQVDFP-CQSZACIVSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295138142 199366627 /nfs/dbraw/zinc/36/66/27/199366627.db2.gz PLULWIKNBQVDFP-CQSZACIVSA-N 1 1 293.367 1.531 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000610476228 346288850 /nfs/dbraw/zinc/28/88/50/346288850.db2.gz IUVLZFAHIGTWDO-SNVBAGLBSA-N 1 1 280.328 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000610476228 346288852 /nfs/dbraw/zinc/28/88/52/346288852.db2.gz IUVLZFAHIGTWDO-SNVBAGLBSA-N 1 1 280.328 1.329 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000611299135 346740882 /nfs/dbraw/zinc/74/08/82/346740882.db2.gz QKRAUQUANDKRKR-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000067386903 347553535 /nfs/dbraw/zinc/55/35/35/347553535.db2.gz HEZFNKIZVDOWDQ-CYBMUJFWSA-N 1 1 280.324 1.820 20 5 CDBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273421777 192145366 /nfs/dbraw/zinc/14/53/66/192145366.db2.gz ZAMKFAZQBRJVNL-NEPJUHHUSA-N 1 1 296.323 1.055 20 5 CDBDMO COCCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066379036 348981730 /nfs/dbraw/zinc/98/17/30/348981730.db2.gz CESAPYYSSMKQEZ-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000109849905 186277947 /nfs/dbraw/zinc/27/79/47/186277947.db2.gz NGCLNFKLGHOHEL-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312626887 350787431 /nfs/dbraw/zinc/78/74/31/350787431.db2.gz RNBVVUKGANWXIX-VIFPVBQESA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312626887 350787432 /nfs/dbraw/zinc/78/74/32/350787432.db2.gz RNBVVUKGANWXIX-VIFPVBQESA-N 1 1 299.762 1.301 20 5 CDBDMO Cc1c(C[N@H+](CCO)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000289661321 363167423 /nfs/dbraw/zinc/16/74/23/363167423.db2.gz FIUQHCJKUAZBAA-SNVBAGLBSA-N 1 1 268.313 1.078 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400037 188139776 /nfs/dbraw/zinc/13/97/76/188139776.db2.gz OBRFSOIJBRRBNZ-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612076 356362371 /nfs/dbraw/zinc/36/23/71/356362371.db2.gz AFRIGMZBTVYYDN-SNVBAGLBSA-N 1 1 250.302 1.744 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000059931491 356371997 /nfs/dbraw/zinc/37/19/97/356371997.db2.gz INUDOEDTAGSZGJ-UHFFFAOYSA-N 1 1 278.312 1.001 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659657 192250594 /nfs/dbraw/zinc/25/05/94/192250594.db2.gz VVBZDHICHWPFSN-GHMZBOCLSA-N 1 1 279.344 1.917 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](CO)C3)nc2c1 ZINC000175583045 356638425 /nfs/dbraw/zinc/63/84/25/356638425.db2.gz DTHTUDAZNABJIT-SECBINFHSA-N 1 1 277.280 1.550 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](CO)C3)nc2c1 ZINC000175583045 356638427 /nfs/dbraw/zinc/63/84/27/356638427.db2.gz DTHTUDAZNABJIT-SECBINFHSA-N 1 1 277.280 1.550 20 5 CDBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282210472 357271907 /nfs/dbraw/zinc/27/19/07/357271907.db2.gz DHLFEOFATBCHDF-LLVKDONJSA-N 1 1 293.323 1.314 20 5 CDBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282210472 357271910 /nfs/dbraw/zinc/27/19/10/357271910.db2.gz DHLFEOFATBCHDF-LLVKDONJSA-N 1 1 293.323 1.314 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830056 357365751 /nfs/dbraw/zinc/36/57/51/357365751.db2.gz BDZAAAHMRBERJP-NXEZZACHSA-N 1 1 265.317 1.367 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290767432 358152624 /nfs/dbraw/zinc/15/26/24/358152624.db2.gz KXRMWEYLTSBFFP-ZDUSSCGKSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000361657828 358407535 /nfs/dbraw/zinc/40/75/35/358407535.db2.gz DFAZKRGBIOXKSK-MWLCHTKSSA-N 1 1 268.288 1.794 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662666 358410144 /nfs/dbraw/zinc/41/01/44/358410144.db2.gz RBDZWIOATITVRA-ZYHUDNBSSA-N 1 1 250.298 1.655 20 5 CDBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351633795 366439037 /nfs/dbraw/zinc/43/90/37/366439037.db2.gz MGEOIMVQACVBCS-RYUDHWBXSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427048 358573058 /nfs/dbraw/zinc/57/30/58/358573058.db2.gz PHEQHMGNAMQORD-RISCZKNCSA-N 1 1 282.340 1.721 20 5 CDBDMO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567473716 358681316 /nfs/dbraw/zinc/68/13/16/358681316.db2.gz QWSNNDMJPUPDCX-SFYZADRCSA-N 1 1 291.311 1.327 20 5 CDBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104188473 358950361 /nfs/dbraw/zinc/95/03/61/358950361.db2.gz NIYJSUIFBNNETI-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000105791323 358986434 /nfs/dbraw/zinc/98/64/34/358986434.db2.gz ROENUAMRUFPBFJ-LBPRGKRZSA-N 1 1 294.355 1.537 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451700563 359072673 /nfs/dbraw/zinc/07/26/73/359072673.db2.gz XVODCFOIYZWUMU-BZPMIXESSA-N 1 1 294.355 1.274 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000119977766 359052763 /nfs/dbraw/zinc/05/27/63/359052763.db2.gz HDWMOGBUXRNAFY-VIFPVBQESA-N 1 1 256.331 1.229 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338333923 359118960 /nfs/dbraw/zinc/11/89/60/359118960.db2.gz WWDZTEJLZBAHRM-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339632600 359420456 /nfs/dbraw/zinc/42/04/56/359420456.db2.gz DHCUQMLYFHBNBA-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353203252 359608224 /nfs/dbraw/zinc/60/82/24/359608224.db2.gz LKBXBPXWXUTPPS-VIFPVBQESA-N 1 1 278.312 1.938 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353203252 359608226 /nfs/dbraw/zinc/60/82/26/359608226.db2.gz LKBXBPXWXUTPPS-VIFPVBQESA-N 1 1 278.312 1.938 20 5 CDBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017405 359730244 /nfs/dbraw/zinc/73/02/44/359730244.db2.gz VOUHVPAGMGBSGC-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553303 200225817 /nfs/dbraw/zinc/22/58/17/200225817.db2.gz QYPNUBDNSVYRQF-PSASIEDQSA-N 1 1 277.328 1.730 20 5 CDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000294852944 361459224 /nfs/dbraw/zinc/45/92/24/361459224.db2.gz CHKWXFXEGQOFTK-LLVKDONJSA-N 1 1 276.340 1.910 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000455340215 252389462 /nfs/dbraw/zinc/38/94/62/252389462.db2.gz VOCJRRYUMZZMBP-VIFPVBQESA-N 1 1 296.302 1.807 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000582121967 364070061 /nfs/dbraw/zinc/07/00/61/364070061.db2.gz RLZACQZBFBFUKE-SNVBAGLBSA-N 1 1 283.303 1.770 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367710482 364824737 /nfs/dbraw/zinc/82/47/37/364824737.db2.gz YUAUZLAECOMZHH-OGOUPESXSA-N 1 1 289.335 1.805 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353597510 364896711 /nfs/dbraw/zinc/89/67/11/364896711.db2.gz TXNNFFJEWJKXCC-VIFPVBQESA-N 1 1 255.343 1.792 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275440510 193038172 /nfs/dbraw/zinc/03/81/72/193038172.db2.gz KFANHTBQCIWHQE-KBPBESRZSA-N 1 1 294.351 1.721 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083760 365380355 /nfs/dbraw/zinc/38/03/55/365380355.db2.gz KTWBSUIHXPQTBV-SNVBAGLBSA-N 1 1 281.312 1.743 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000440963237 367263710 /nfs/dbraw/zinc/26/37/10/367263710.db2.gz VORDIMVFCCSHKF-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000440963237 367263714 /nfs/dbraw/zinc/26/37/14/367263714.db2.gz VORDIMVFCCSHKF-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1COC[C@H]1O ZINC000348634358 367589904 /nfs/dbraw/zinc/58/99/04/367589904.db2.gz LPAYXGCXRQQWDN-QWHCGFSZSA-N 1 1 266.297 1.095 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634749 367785875 /nfs/dbraw/zinc/78/58/75/367785875.db2.gz WTSZOZJRJNGILX-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000295187958 291404693 /nfs/dbraw/zinc/40/46/93/291404693.db2.gz ILZNFPMUBFATDB-ZDUSSCGKSA-N 1 1 299.277 1.508 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000170781250 369050495 /nfs/dbraw/zinc/05/04/95/369050495.db2.gz KOVUBCFWUDXKGM-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701899 203131669 /nfs/dbraw/zinc/13/16/69/203131669.db2.gz HRXNYYZLPKNAOG-JTQLQIEISA-N 1 1 295.343 1.231 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000299485048 369773781 /nfs/dbraw/zinc/77/37/81/369773781.db2.gz DOISPNOOTNCSKF-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054761059 369951379 /nfs/dbraw/zinc/95/13/79/369951379.db2.gz UIAUYLZBHPGNNX-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858370 370408619 /nfs/dbraw/zinc/40/86/19/370408619.db2.gz YUEDRTRJPBVOAL-RYUDHWBXSA-N 1 1 279.340 1.643 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000225346075 374243401 /nfs/dbraw/zinc/24/34/01/374243401.db2.gz AEKLRXHYTYZGLD-NSHDSACASA-N 1 1 298.774 1.906 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000420899131 374304187 /nfs/dbraw/zinc/30/41/87/374304187.db2.gz GMFGUMHCOYPQEL-KLPPZKSPSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[C@@H](NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523856 374388414 /nfs/dbraw/zinc/38/84/14/374388414.db2.gz NUJZHNCRLJXNHQ-ZIAGYGMSSA-N 1 1 279.340 1.624 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1C ZINC000092623059 374699742 /nfs/dbraw/zinc/69/97/42/374699742.db2.gz IAVRLVBENRLFKS-SNVBAGLBSA-N 1 1 250.302 1.804 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274551868 374675334 /nfs/dbraw/zinc/67/53/34/374675334.db2.gz HZYFUURVTNACEM-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nc1 ZINC000331422504 374949692 /nfs/dbraw/zinc/94/96/92/374949692.db2.gz LCGKAYOYEWLTFN-NEPJUHHUSA-N 1 1 292.339 1.513 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000332668141 375042980 /nfs/dbraw/zinc/04/29/80/375042980.db2.gz QAOWJIARNCGJRH-ZDUSSCGKSA-N 1 1 282.344 1.455 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000125239003 374981966 /nfs/dbraw/zinc/98/19/66/374981966.db2.gz VMJBHCXTINQJST-YUTCNCBUSA-N 1 1 262.309 1.798 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282383743 375084147 /nfs/dbraw/zinc/08/41/47/375084147.db2.gz DATXSUGKQHGKOL-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282383743 375084151 /nfs/dbraw/zinc/08/41/51/375084151.db2.gz DATXSUGKQHGKOL-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465535 375088360 /nfs/dbraw/zinc/08/83/60/375088360.db2.gz NETZSUCUFXUZPN-ZDUSSCGKSA-N 1 1 252.314 1.840 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc[nH]1 ZINC000282501947 375090972 /nfs/dbraw/zinc/09/09/72/375090972.db2.gz QWAUNYOHNFSBCT-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncc[nH]1 ZINC000282501947 375090979 /nfs/dbraw/zinc/09/09/79/375090979.db2.gz QWAUNYOHNFSBCT-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529872 375093140 /nfs/dbraw/zinc/09/31/40/375093140.db2.gz UWJGYULBKFNCLC-AWEZNQCLSA-N 1 1 282.340 1.467 20 5 CDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283333698 375112873 /nfs/dbraw/zinc/11/28/73/375112873.db2.gz ANAFHJAVBYBEIX-UHFFFAOYSA-N 1 1 295.339 1.628 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347332094 375558569 /nfs/dbraw/zinc/55/85/69/375558569.db2.gz KTNLCKHGNVXDKN-AOOOYVTPSA-N 1 1 284.287 1.052 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347332094 375558572 /nfs/dbraw/zinc/55/85/72/375558572.db2.gz KTNLCKHGNVXDKN-AOOOYVTPSA-N 1 1 284.287 1.052 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270036 375945906 /nfs/dbraw/zinc/94/59/06/375945906.db2.gz LAOOPKCRRCCOKB-SECBINFHSA-N 1 1 281.287 1.415 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000171807686 377056187 /nfs/dbraw/zinc/05/61/87/377056187.db2.gz WLEVBHGMRSVVKK-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264848565 190139130 /nfs/dbraw/zinc/13/91/30/190139130.db2.gz BPVMKXPEYFQQFB-VIIAAUOXSA-N 1 1 289.335 1.818 20 5 CDBDMO C[N@@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264866350 190140257 /nfs/dbraw/zinc/14/02/57/190140257.db2.gz OPZOHDLYBNZMKF-UHFFFAOYSA-N 1 1 292.339 1.488 20 5 CDBDMO C[N@H+](Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421747 190256456 /nfs/dbraw/zinc/25/64/56/190256456.db2.gz ITSUEIXAMPRCDF-LLVKDONJSA-N 1 1 296.352 1.346 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000266935272 190291746 /nfs/dbraw/zinc/29/17/46/190291746.db2.gz USHBRBSCAYWPBU-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000450226166 251181882 /nfs/dbraw/zinc/18/18/82/251181882.db2.gz JYMLLFXNITZSJD-LBPRGKRZSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000450226166 251181885 /nfs/dbraw/zinc/18/18/85/251181885.db2.gz JYMLLFXNITZSJD-LBPRGKRZSA-N 1 1 266.297 1.442 20 5 CDBDMO Cc1nc(NC[C@@H]2CCCn3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450391459 251258662 /nfs/dbraw/zinc/25/86/62/251258662.db2.gz NTHDCHPLUCOPGW-JTQLQIEISA-N 1 1 288.311 1.301 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489498204 253000183 /nfs/dbraw/zinc/00/01/83/253000183.db2.gz QBFOBBXEZBLNLF-GFCCVEGCSA-N 1 1 277.324 1.924 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489498204 253000185 /nfs/dbraw/zinc/00/01/85/253000185.db2.gz QBFOBBXEZBLNLF-GFCCVEGCSA-N 1 1 277.324 1.924 20 5 CDBDMO CC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000281193332 195143138 /nfs/dbraw/zinc/14/31/38/195143138.db2.gz BXCPRHFYSFHYGX-SNVBAGLBSA-N 1 1 284.316 1.065 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000281193332 195143141 /nfs/dbraw/zinc/14/31/41/195143141.db2.gz BXCPRHFYSFHYGX-SNVBAGLBSA-N 1 1 284.316 1.065 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903722 390186411 /nfs/dbraw/zinc/18/64/11/390186411.db2.gz ZWCGUHVTOHAMOK-NSHDSACASA-N 1 1 268.313 1.940 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221912 390968656 /nfs/dbraw/zinc/96/86/56/390968656.db2.gz GAUXGJSGIJHGMW-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221912 390968657 /nfs/dbraw/zinc/96/86/57/390968657.db2.gz GAUXGJSGIJHGMW-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356586074 391077454 /nfs/dbraw/zinc/07/74/54/391077454.db2.gz YRTRKKOWERBCOE-JTQLQIEISA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356586074 391077456 /nfs/dbraw/zinc/07/74/56/391077456.db2.gz YRTRKKOWERBCOE-JTQLQIEISA-N 1 1 293.323 1.467 20 5 CDBDMO CC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)COC1 ZINC000440488309 391394835 /nfs/dbraw/zinc/39/48/35/391394835.db2.gz ODWPDNXKGUCONN-LLVKDONJSA-N 1 1 292.339 1.513 20 5 CDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000573908605 391609820 /nfs/dbraw/zinc/60/98/20/391609820.db2.gz WUMWHYXGRPLNRF-AAEUAGOBSA-N 1 1 292.339 1.289 20 5 CDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000573908607 391610142 /nfs/dbraw/zinc/61/01/42/391610142.db2.gz WUMWHYXGRPLNRF-WCQYABFASA-N 1 1 292.339 1.289 20 5 CDBDMO CN1C[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000573998130 391668055 /nfs/dbraw/zinc/66/80/55/391668055.db2.gz HCWJQBFUXMZMFG-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000459761815 392503743 /nfs/dbraw/zinc/50/37/43/392503743.db2.gz VBBBBALMSNQZGG-NWDGAFQWSA-N 1 1 286.715 1.752 20 5 CDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549753205 392612570 /nfs/dbraw/zinc/61/25/70/392612570.db2.gz QOBHSLJADAQOIQ-UHFFFAOYSA-N 1 1 295.343 1.170 20 5 CDBDMO O=C(NCCC[NH2+]C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000419929095 392897400 /nfs/dbraw/zinc/89/74/00/392897400.db2.gz ZQBAEURRCFHRJN-UHFFFAOYSA-N 1 1 295.343 1.360 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992844 392924126 /nfs/dbraw/zinc/92/41/26/392924126.db2.gz YPWHBDOWMNTYJS-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420979606 392924149 /nfs/dbraw/zinc/92/41/49/392924149.db2.gz DLHKMVWPLHJMKE-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420979606 392924150 /nfs/dbraw/zinc/92/41/50/392924150.db2.gz DLHKMVWPLHJMKE-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CC[C@@H]([NH2+]CCNCCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314436 392959996 /nfs/dbraw/zinc/95/99/96/392959996.db2.gz HERXCWSUJKCCBY-CQSZACIVSA-N 1 1 281.356 1.872 20 5 CDBDMO CC(C)[C@H](N)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272231 392960902 /nfs/dbraw/zinc/96/09/02/392960902.db2.gz JRILOSJISQLJAI-UPJWGTAASA-N 1 1 295.387 1.848 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CO ZINC000430201763 393090595 /nfs/dbraw/zinc/09/05/95/393090595.db2.gz BEKJMEXHKNWQFA-CYBMUJFWSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCC1 ZINC000430194250 393090696 /nfs/dbraw/zinc/09/06/96/393090696.db2.gz INYNTJVARISNQL-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO [NH3+]C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430628034 393102430 /nfs/dbraw/zinc/10/24/30/393102430.db2.gz NARNVZXFIXEKOS-LBPRGKRZSA-N 1 1 279.340 1.644 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275462804 135107789 /nfs/dbraw/zinc/10/77/89/135107789.db2.gz ZAAPOOYVUNWFPV-NEPJUHHUSA-N 1 1 279.340 1.486 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000352386688 155151648 /nfs/dbraw/zinc/15/16/48/155151648.db2.gz DWIYBNYTWQWXON-UHFFFAOYSA-N 1 1 283.332 1.088 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182132063 148243080 /nfs/dbraw/zinc/24/30/80/148243080.db2.gz UGTVUUYXFJEVOA-SECBINFHSA-N 1 1 283.715 1.555 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668689 155342451 /nfs/dbraw/zinc/34/24/51/155342451.db2.gz UIPODEHRWMTIAT-DGCLKSJQSA-N 1 1 280.324 1.949 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344035332 152398106 /nfs/dbraw/zinc/39/81/06/152398106.db2.gz RQTHRSFYZGEZFK-GLQYFDAESA-N 1 1 292.335 1.676 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000345980501 153016040 /nfs/dbraw/zinc/01/60/40/153016040.db2.gz LCEJUWGKYOCUMJ-UWVGGRQHSA-N 1 1 280.328 1.478 20 5 CDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000352189835 155010017 /nfs/dbraw/zinc/01/00/17/155010017.db2.gz JXOTXSVUMGEDGK-GFCCVEGCSA-N 1 1 297.286 1.393 20 5 CDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000352189835 155010019 /nfs/dbraw/zinc/01/00/19/155010019.db2.gz JXOTXSVUMGEDGK-GFCCVEGCSA-N 1 1 297.286 1.393 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195232 155013979 /nfs/dbraw/zinc/01/39/79/155013979.db2.gz PDCFELHVACRUQZ-DGCLKSJQSA-N 1 1 298.339 1.037 20 5 CDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000352233860 155046502 /nfs/dbraw/zinc/04/65/02/155046502.db2.gz GDDKSCJXEVGFHK-LLVKDONJSA-N 1 1 293.323 1.502 20 5 CDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000352233860 155046505 /nfs/dbraw/zinc/04/65/05/155046505.db2.gz GDDKSCJXEVGFHK-LLVKDONJSA-N 1 1 293.323 1.502 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000359599351 158303947 /nfs/dbraw/zinc/30/39/47/158303947.db2.gz LNHFOWPVQQQRNP-AWEZNQCLSA-N 1 1 296.323 1.187 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000362073426 159060315 /nfs/dbraw/zinc/06/03/15/159060315.db2.gz WKUFJKZGZKNLGZ-NXEZZACHSA-N 1 1 291.307 1.796 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000363893197 159351155 /nfs/dbraw/zinc/35/11/55/159351155.db2.gz XLDZJAWGQMPJIW-UXOHQCDBSA-N 1 1 278.308 1.036 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000158423417 275041506 /nfs/dbraw/zinc/04/15/06/275041506.db2.gz XKBRWLFXJDZZKR-VHSXEESVSA-N 1 1 263.301 1.424 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000282462051 276134354 /nfs/dbraw/zinc/13/43/54/276134354.db2.gz UAARMJBQEUOAOY-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO CC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178146635 276203861 /nfs/dbraw/zinc/20/38/61/276203861.db2.gz HPIXXACTHCYRHQ-UHFFFAOYSA-N 1 1 250.302 1.440 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282840 277085097 /nfs/dbraw/zinc/08/50/97/277085097.db2.gz NHCKMWPNOUVQQO-VHSXEESVSA-N 1 1 282.369 1.972 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299024 277186593 /nfs/dbraw/zinc/18/65/93/277186593.db2.gz LQTLYZXONBQYBL-NSHDSACASA-N 1 1 268.342 1.583 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108336872 279305331 /nfs/dbraw/zinc/30/53/31/279305331.db2.gz CXDGSZCGDDODLK-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000108337979 279305555 /nfs/dbraw/zinc/30/55/55/279305555.db2.gz OSTRVTAFUWCLPY-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112703578 279331279 /nfs/dbraw/zinc/33/12/79/279331279.db2.gz ZOYLRPRGQWAQCU-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000561614451 293095093 /nfs/dbraw/zinc/09/50/93/293095093.db2.gz MLBMJEJNWIPZGL-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000561614451 293095094 /nfs/dbraw/zinc/09/50/94/293095094.db2.gz MLBMJEJNWIPZGL-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000577501089 317342589 /nfs/dbraw/zinc/34/25/89/317342589.db2.gz RWEKBPKOJFYVFE-FUNVUKJBSA-N 1 1 291.351 1.846 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000356867711 525679249 /nfs/dbraw/zinc/67/92/49/525679249.db2.gz YUZBFKLVTIZQOP-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1C ZINC000356867711 525679255 /nfs/dbraw/zinc/67/92/55/525679255.db2.gz YUZBFKLVTIZQOP-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356867698 525681905 /nfs/dbraw/zinc/68/19/05/525681905.db2.gz YUZBFKLVTIZQOP-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356867698 525681911 /nfs/dbraw/zinc/68/19/11/525681911.db2.gz YUZBFKLVTIZQOP-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304289359 535175914 /nfs/dbraw/zinc/17/59/14/535175914.db2.gz BQTXWKJPFQREOY-ZIAGYGMSSA-N 1 1 296.371 1.663 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241384 576591566 /nfs/dbraw/zinc/59/15/66/576591566.db2.gz PIPADSBWOPYMNB-LBPRGKRZSA-N 1 1 291.351 1.738 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749800674 576963236 /nfs/dbraw/zinc/96/32/36/576963236.db2.gz SJKITXISUDACQR-MNOVXSKESA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749800674 576963238 /nfs/dbraw/zinc/96/32/38/576963238.db2.gz SJKITXISUDACQR-MNOVXSKESA-N 1 1 266.301 1.107 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000750038206 576972931 /nfs/dbraw/zinc/97/29/31/576972931.db2.gz AEFVTHACGLIVIH-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO CC1(C)OCC([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000758012753 577066888 /nfs/dbraw/zinc/06/68/88/577066888.db2.gz VTYGNXNJKIVNPF-UHFFFAOYSA-N 1 1 272.326 1.897 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000891452375 617416188 /nfs/dbraw/zinc/41/61/88/617416188.db2.gz WXYRKWDDFCGZGD-SNVBAGLBSA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000891452375 617416191 /nfs/dbraw/zinc/41/61/91/617416191.db2.gz WXYRKWDDFCGZGD-SNVBAGLBSA-N 1 1 282.296 1.266 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+](C)C1CCCC1 ZINC000892338896 617919311 /nfs/dbraw/zinc/91/93/11/617919311.db2.gz CUPFFDXNEIULHE-UHFFFAOYSA-N 1 1 267.333 1.615 20 5 CDBDMO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893007031 618052013 /nfs/dbraw/zinc/05/20/13/618052013.db2.gz FTKAHWIKHSNQMX-WUHRBBMRSA-N 1 1 283.372 1.373 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000892421301 618177819 /nfs/dbraw/zinc/17/78/19/618177819.db2.gz IRCJOGKRUZSJJU-VIFPVBQESA-N 1 1 253.306 1.082 20 5 CDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928568207 619406868 /nfs/dbraw/zinc/40/68/68/619406868.db2.gz NOQKFYXGXJIPIM-VIFPVBQESA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928568207 619406873 /nfs/dbraw/zinc/40/68/73/619406873.db2.gz NOQKFYXGXJIPIM-VIFPVBQESA-N 1 1 295.364 1.751 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246809 619493243 /nfs/dbraw/zinc/49/32/43/619493243.db2.gz QJFWWTUNAVMLGU-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000895246809 619493247 /nfs/dbraw/zinc/49/32/47/619493247.db2.gz QJFWWTUNAVMLGU-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246809 619493251 /nfs/dbraw/zinc/49/32/51/619493251.db2.gz QJFWWTUNAVMLGU-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000895246809 619493252 /nfs/dbraw/zinc/49/32/52/619493252.db2.gz QJFWWTUNAVMLGU-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769946 619836315 /nfs/dbraw/zinc/83/63/15/619836315.db2.gz WNVHCCWDESPIDG-SECBINFHSA-N 1 1 294.311 1.201 20 5 CDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769946 619836317 /nfs/dbraw/zinc/83/63/17/619836317.db2.gz WNVHCCWDESPIDG-SECBINFHSA-N 1 1 294.311 1.201 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000902613158 625024407 /nfs/dbraw/zinc/02/44/07/625024407.db2.gz OMBFWWFMPAUMQH-UHFFFAOYSA-N 1 1 252.274 1.155 20 5 CDBDMO COCCCOc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905159066 626641748 /nfs/dbraw/zinc/64/17/48/626641748.db2.gz IYIJUSHJFKWFIF-UHFFFAOYSA-N 1 1 282.340 1.777 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000913303628 630441466 /nfs/dbraw/zinc/44/14/66/630441466.db2.gz YYJOHZFAAYKBQN-LLVKDONJSA-N 1 1 296.327 1.209 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329769 1162338517 /nfs/dbraw/zinc/33/85/17/1162338517.db2.gz UCAOFXHAQCPGSH-LOWVWBTDSA-N 1 1 294.351 1.990 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001158495162 1163106076 /nfs/dbraw/zinc/10/60/76/1163106076.db2.gz HTPTUQWQDUFFJB-NSHDSACASA-N 1 1 294.355 1.456 20 5 CDBDMO Cc1c(C[NH2+]Cc2cnc(N)cn2)cccc1[N+](=O)[O-] ZINC001579534665 1172206806 /nfs/dbraw/zinc/20/68/06/1172206806.db2.gz OKOMBLKBXCKGHY-UHFFFAOYSA-N 1 1 273.296 1.565 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)c1 ZINC000312382374 1186697511 /nfs/dbraw/zinc/69/75/11/1186697511.db2.gz NJSBDMSYOFROKA-SNVBAGLBSA-N 1 1 280.280 1.464 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466700 719184947 /nfs/dbraw/zinc/18/49/47/719184947.db2.gz JPNMURATBBXKGG-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466700 719184955 /nfs/dbraw/zinc/18/49/55/719184955.db2.gz JPNMURATBBXKGG-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000931162021 726810887 /nfs/dbraw/zinc/81/08/87/726810887.db2.gz YEOUMKKGZJMOLS-UHFFFAOYSA-N 1 1 268.288 1.946 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000928555553 726012597 /nfs/dbraw/zinc/01/25/97/726012597.db2.gz UCJRGFPVHVEZLV-LLVKDONJSA-N 1 1 281.287 1.097 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816175 726017712 /nfs/dbraw/zinc/01/77/12/726017712.db2.gz OUPGDPDUNYIFKK-JQWIXIFHSA-N 1 1 280.328 1.329 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000882960802 726024146 /nfs/dbraw/zinc/02/41/46/726024146.db2.gz WPVVAEDVGACHJF-SECBINFHSA-N 1 1 276.300 1.144 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000882409954 726064651 /nfs/dbraw/zinc/06/46/51/726064651.db2.gz SQTWZIQDJIZWQP-SNVBAGLBSA-N 1 1 298.318 1.388 20 5 CDBDMO C[C@@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886100275 726086333 /nfs/dbraw/zinc/08/63/33/726086333.db2.gz JUCDZMOKYPHIJF-GFCCVEGCSA-N 1 1 251.286 1.337 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886100275 726086335 /nfs/dbraw/zinc/08/63/35/726086335.db2.gz JUCDZMOKYPHIJF-GFCCVEGCSA-N 1 1 251.286 1.337 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147688 726173044 /nfs/dbraw/zinc/17/30/44/726173044.db2.gz ZEMCKXMRWCYFGS-CQSZACIVSA-N 1 1 279.340 1.974 20 5 CDBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147688 726173046 /nfs/dbraw/zinc/17/30/46/726173046.db2.gz ZEMCKXMRWCYFGS-CQSZACIVSA-N 1 1 279.340 1.974 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853576252 726219900 /nfs/dbraw/zinc/21/99/00/726219900.db2.gz OJAPRXREZRCYEQ-GHMZBOCLSA-N 1 1 287.323 1.947 20 5 CDBDMO O=[N+]([O-])c1ncccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252890880 726301913 /nfs/dbraw/zinc/30/19/13/726301913.db2.gz IRLPPLVZJJZTDZ-QWRGUYRKSA-N 1 1 278.312 1.265 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000884823784 726326267 /nfs/dbraw/zinc/32/62/67/726326267.db2.gz DXSOZQLYMZPRDI-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000724880616 726371922 /nfs/dbraw/zinc/37/19/22/726371922.db2.gz SLXRPNJAHZGYMK-DGCLKSJQSA-N 1 1 284.287 1.627 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627328 726832764 /nfs/dbraw/zinc/83/27/64/726832764.db2.gz OGSQUYLYUWHULS-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO CC(C)N(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942913 727042513 /nfs/dbraw/zinc/04/25/13/727042513.db2.gz IBCKPZLGIOMEPE-ZDUSSCGKSA-N 1 1 265.313 1.636 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933910450 727229994 /nfs/dbraw/zinc/22/99/94/727229994.db2.gz YBCDRFAHUQULCF-ZDUSSCGKSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933910450 727229995 /nfs/dbraw/zinc/22/99/95/727229995.db2.gz YBCDRFAHUQULCF-ZDUSSCGKSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000323684077 727310529 /nfs/dbraw/zinc/31/05/29/727310529.db2.gz OOHMGLKNMKPNKH-WDEREUQCSA-N 1 1 272.688 1.098 20 5 CDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222703 727357112 /nfs/dbraw/zinc/35/71/12/727357112.db2.gz ADMLQLGIHUCRBL-NWDGAFQWSA-N 1 1 265.313 1.583 20 5 CDBDMO C[N@H+](CCCn1ccnc1)Cc1cccnc1[N+](=O)[O-] ZINC000886093879 727392817 /nfs/dbraw/zinc/39/28/17/727392817.db2.gz JDTLOIWQCLUGDL-UHFFFAOYSA-N 1 1 275.312 1.708 20 5 CDBDMO C[N@@H+](CCCn1ccnc1)Cc1cccnc1[N+](=O)[O-] ZINC000886093879 727392819 /nfs/dbraw/zinc/39/28/19/727392819.db2.gz JDTLOIWQCLUGDL-UHFFFAOYSA-N 1 1 275.312 1.708 20 5 CDBDMO [NH3+]CC(F)(F)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841060353 727431538 /nfs/dbraw/zinc/43/15/38/727431538.db2.gz WPOSLZAMYWNEFP-UHFFFAOYSA-N 1 1 279.674 1.932 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865527794 727440668 /nfs/dbraw/zinc/44/06/68/727440668.db2.gz LLZSCEFLUNDZCV-JTQLQIEISA-N 1 1 297.330 1.980 20 5 CDBDMO 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CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001308036555 956459261 /nfs/dbraw/zinc/45/92/61/956459261.db2.gz XTQMDGOTNWWZLM-MRVPVSSYSA-N 1 1 292.274 1.237 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ncccn3)C2)n1 ZINC001308113988 956471118 /nfs/dbraw/zinc/47/11/18/956471118.db2.gz PANFZFMUBBPHST-LLVKDONJSA-N 1 1 288.311 1.071 20 5 CDBDMO C[C@@H]1[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001346079839 964910212 /nfs/dbraw/zinc/91/02/12/964910212.db2.gz ARXWMNUVJLRFAG-QMTHXVAHSA-N 1 1 289.335 1.777 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001351317999 966911250 /nfs/dbraw/zinc/91/12/50/966911250.db2.gz BRHDWAWYSQJDMK-UHFFFAOYSA-N 1 1 282.315 1.472 20 5 CDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158864679 1163741953 /nfs/dbraw/zinc/74/19/53/1163741953.db2.gz YBOMJHOCAMRYBE-UHFFFAOYSA-N 1 1 282.731 1.703 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006440 342458726 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Cc1noc(C[N@H+](CCO)CC2CC2)c1[N+](=O)[O-] ZINC000595294032 343025879 /nfs/dbraw/zinc/02/58/79/343025879.db2.gz IDTIYHJAUMQCBX-UHFFFAOYSA-N 1 1 255.274 1.096 20 5 CDBDMO Cc1noc(C[N@@H+](CCO)CC2CC2)c1[N+](=O)[O-] ZINC000595294032 343025880 /nfs/dbraw/zinc/02/58/80/343025880.db2.gz IDTIYHJAUMQCBX-UHFFFAOYSA-N 1 1 255.274 1.096 20 5 CDBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595310011 343032676 /nfs/dbraw/zinc/03/26/76/343032676.db2.gz CIHVSRKVEDBKKP-VHSXEESVSA-N 1 1 269.301 1.627 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595310011 343032678 /nfs/dbraw/zinc/03/26/78/343032678.db2.gz CIHVSRKVEDBKKP-VHSXEESVSA-N 1 1 269.301 1.627 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000595450189 343058738 /nfs/dbraw/zinc/05/87/38/343058738.db2.gz SDPCRDGETGSEHH-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000595450189 343058740 /nfs/dbraw/zinc/05/87/40/343058740.db2.gz SDPCRDGETGSEHH-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CO ZINC000595459335 343069841 /nfs/dbraw/zinc/06/98/41/343069841.db2.gz NHCGFLABYCRUEF-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235745614 362076193 /nfs/dbraw/zinc/07/61/93/362076193.db2.gz HFYNLUORDXZECD-ZDUSSCGKSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000235745001 362077010 /nfs/dbraw/zinc/07/70/10/362077010.db2.gz SPPUBPLGXYLCLH-ZDUSSCGKSA-N 1 1 297.742 1.946 20 5 CDBDMO C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247495853 362114968 /nfs/dbraw/zinc/11/49/68/362114968.db2.gz LGXRBMMZYXGHFR-DGCLKSJQSA-N 1 1 280.324 1.819 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000597859957 343648669 /nfs/dbraw/zinc/64/86/69/343648669.db2.gz IZLAMOCATHSMKL-SECBINFHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644839 343855304 /nfs/dbraw/zinc/85/53/04/343855304.db2.gz AQMURWWMHJIWRR-STQMWFEESA-N 1 1 294.351 1.924 20 5 CDBDMO CN(C(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000073140918 362253621 /nfs/dbraw/zinc/25/36/21/362253621.db2.gz UDJCYDDJEPLUBH-UHFFFAOYSA-N 1 1 263.297 1.653 20 5 CDBDMO CC(=O)c1cc(NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176347 343966273 /nfs/dbraw/zinc/96/62/73/343966273.db2.gz RJCPSKHUKZUDCV-GFCCVEGCSA-N 1 1 293.323 1.276 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000602788052 344600624 /nfs/dbraw/zinc/60/06/24/344600624.db2.gz QPLFIOMBLXWAKI-SNVBAGLBSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000602788052 344600627 /nfs/dbraw/zinc/60/06/27/344600627.db2.gz QPLFIOMBLXWAKI-SNVBAGLBSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000611084770 346604378 /nfs/dbraw/zinc/60/43/78/346604378.db2.gz RXYJWJTXWAVQHV-SECBINFHSA-N 1 1 267.333 1.167 20 5 CDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293642616 362797527 /nfs/dbraw/zinc/79/75/27/362797527.db2.gz GEOIOCPWVSYQGW-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293642616 362797531 /nfs/dbraw/zinc/79/75/31/362797531.db2.gz GEOIOCPWVSYQGW-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CCOCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606494 365909746 /nfs/dbraw/zinc/90/97/46/365909746.db2.gz FLBOJABCVJDOST-UHFFFAOYSA-N 1 1 250.298 1.989 20 5 CDBDMO CCOCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606494 365909755 /nfs/dbraw/zinc/90/97/55/365909755.db2.gz FLBOJABCVJDOST-UHFFFAOYSA-N 1 1 250.298 1.989 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000067632540 349031215 /nfs/dbraw/zinc/03/12/15/349031215.db2.gz HTBKHOYQVNOKFX-SNVBAGLBSA-N 1 1 281.312 1.648 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000104866808 186030211 /nfs/dbraw/zinc/03/02/11/186030211.db2.gz HKSZOZQWSVDJJO-SNVBAGLBSA-N 1 1 292.339 1.309 20 5 CDBDMO CCc1nn(C)c(NCC[N@H+](C)CC)c1[N+](=O)[O-] ZINC000091559496 180191558 /nfs/dbraw/zinc/19/15/58/180191558.db2.gz PJQUULOVMDMRQL-UHFFFAOYSA-N 1 1 255.322 1.254 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000109849860 186277794 /nfs/dbraw/zinc/27/77/94/186277794.db2.gz YRLUHUKXWIQVOH-SNVBAGLBSA-N 1 1 263.297 1.276 20 5 CDBDMO CN1CC[N@H+](C)C[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312626883 350787423 /nfs/dbraw/zinc/78/74/23/350787423.db2.gz RNBVVUKGANWXIX-SECBINFHSA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312626883 350787424 /nfs/dbraw/zinc/78/74/24/350787424.db2.gz RNBVVUKGANWXIX-SECBINFHSA-N 1 1 299.762 1.301 20 5 CDBDMO COC[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091861493 351260244 /nfs/dbraw/zinc/26/02/44/351260244.db2.gz ILVLAWUDFUGJOD-NSHDSACASA-N 1 1 266.297 1.911 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124003878 187118059 /nfs/dbraw/zinc/11/80/59/187118059.db2.gz INKGTNHCWYWOKX-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124003878 187118060 /nfs/dbraw/zinc/11/80/60/187118060.db2.gz INKGTNHCWYWOKX-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401498087 356247604 /nfs/dbraw/zinc/24/76/04/356247604.db2.gz MGOJLLFTXFEGEQ-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401498087 356247609 /nfs/dbraw/zinc/24/76/09/356247609.db2.gz MGOJLLFTXFEGEQ-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000590762322 358511872 /nfs/dbraw/zinc/51/18/72/358511872.db2.gz QVXDNAPRDXCWHO-PRHODGIISA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000590762322 358511878 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CDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714468 357890833 /nfs/dbraw/zinc/89/08/33/357890833.db2.gz TZEAUPOIVCSQKM-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072714468 357890836 /nfs/dbraw/zinc/89/08/36/357890836.db2.gz TZEAUPOIVCSQKM-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO CC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000296168937 199804888 /nfs/dbraw/zinc/80/48/88/199804888.db2.gz ZFVYEPRXLPSQID-SECBINFHSA-N 1 1 270.358 1.972 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193575783 358304596 /nfs/dbraw/zinc/30/45/96/358304596.db2.gz XRNXNEKTDPDRGP-ZANVPECISA-N 1 1 293.323 1.218 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121037621 359128795 /nfs/dbraw/zinc/12/87/95/359128795.db2.gz PUBGRRJEDKIZLK-UWVGGRQHSA-N 1 1 281.312 1.600 20 5 CDBDMO C[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122674937 360231492 /nfs/dbraw/zinc/23/14/92/360231492.db2.gz CJGUZAXXXZCYSW-NSHDSACASA-N 1 1 289.295 1.504 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122674937 360231494 /nfs/dbraw/zinc/23/14/94/360231494.db2.gz CJGUZAXXXZCYSW-NSHDSACASA-N 1 1 289.295 1.504 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000177416898 189049109 /nfs/dbraw/zinc/04/91/09/189049109.db2.gz TZFJDOYUBJURIS-AWEZNQCLSA-N 1 1 278.308 1.980 20 5 CDBDMO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408461939 361146302 /nfs/dbraw/zinc/14/63/02/361146302.db2.gz BXDSJZNEOVRSPN-OCCSQVGLSA-N 1 1 289.335 1.679 20 5 CDBDMO Cn1cc[nH+]c1N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301994345 201290765 /nfs/dbraw/zinc/29/07/65/201290765.db2.gz GXSXRTAYUXLFBA-UHFFFAOYSA-N 1 1 293.352 1.716 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000141941401 364471848 /nfs/dbraw/zinc/47/18/48/364471848.db2.gz LHHUATDNRMKXBE-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000141941401 364471853 /nfs/dbraw/zinc/47/18/53/364471853.db2.gz LHHUATDNRMKXBE-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174880532 364588184 /nfs/dbraw/zinc/58/81/84/364588184.db2.gz DNHBXSMCBVADGH-LBPRGKRZSA-N 1 1 284.385 1.865 20 5 CDBDMO Cc1nc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268445170 364775454 /nfs/dbraw/zinc/77/54/54/364775454.db2.gz DRMGSXJYINHNEV-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO CC[N@@H+](C)CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000213794500 189689551 /nfs/dbraw/zinc/68/95/51/189689551.db2.gz YAYMQEWDJHCCRK-UHFFFAOYSA-N 1 1 283.328 1.976 20 5 CDBDMO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457135439 365419138 /nfs/dbraw/zinc/41/91/38/365419138.db2.gz WHDKLFKQMABLJN-JTQLQIEISA-N 1 1 295.343 1.181 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457135439 365419146 /nfs/dbraw/zinc/41/91/46/365419146.db2.gz WHDKLFKQMABLJN-JTQLQIEISA-N 1 1 295.343 1.181 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457135439 365419150 /nfs/dbraw/zinc/41/91/50/365419150.db2.gz WHDKLFKQMABLJN-JTQLQIEISA-N 1 1 295.343 1.181 20 5 CDBDMO C[NH+](C)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000270620923 366911186 /nfs/dbraw/zinc/91/11/86/366911186.db2.gz RNQSRXFPYOSOLV-UHFFFAOYSA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@H]([NH2+]Cc1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000135856210 369754665 /nfs/dbraw/zinc/75/46/65/369754665.db2.gz ZWZUWEFFHHFYAT-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000037987978 370096829 /nfs/dbraw/zinc/09/68/29/370096829.db2.gz FNKUHYFJFFZNEV-UHFFFAOYSA-N 1 1 296.302 1.096 20 5 CDBDMO CCOCC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000277480407 374117931 /nfs/dbraw/zinc/11/79/31/374117931.db2.gz KRCCUJLSSWTBCJ-ZDUSSCGKSA-N 1 1 282.340 1.814 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CN)CCC1 ZINC000385453718 374254840 /nfs/dbraw/zinc/25/48/40/374254840.db2.gz JTBIOODDFPVXPL-UHFFFAOYSA-N 1 1 263.341 1.951 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CN)CCC1 ZINC000385453718 374254846 /nfs/dbraw/zinc/25/48/46/374254846.db2.gz JTBIOODDFPVXPL-UHFFFAOYSA-N 1 1 263.341 1.951 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066149916 374305537 /nfs/dbraw/zinc/30/55/37/374305537.db2.gz WAHPXSKGLUGAOI-VIFPVBQESA-N 1 1 269.301 1.648 20 5 CDBDMO C[C@@H]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000422633552 374354524 /nfs/dbraw/zinc/35/45/24/374354524.db2.gz ILWNRCCFAGBVMT-IJLUTSLNSA-N 1 1 281.360 1.097 20 5 CDBDMO Cc1c([C@H](C)NC[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531723 374387438 /nfs/dbraw/zinc/38/74/38/374387438.db2.gz YOGNKLSCOWBVQP-NWDGAFQWSA-N 1 1 279.340 1.542 20 5 CDBDMO [NH3+][C@@H]1CCCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000424333692 374408796 /nfs/dbraw/zinc/40/87/96/374408796.db2.gz MKHPAWHMGYAQLW-ZIAGYGMSSA-N 1 1 279.340 1.833 20 5 CDBDMO Cc1ccnc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000070495841 374664310 /nfs/dbraw/zinc/66/43/10/374664310.db2.gz IKECKQXCHYYLRT-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO COCC(COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000388435184 374675695 /nfs/dbraw/zinc/67/56/95/374675695.db2.gz PPDPJSABWBSXMT-UHFFFAOYSA-N 1 1 272.276 1.485 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016709 374882350 /nfs/dbraw/zinc/88/23/50/374882350.db2.gz VGDNSOHMCMZGGF-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016709 374882357 /nfs/dbraw/zinc/88/23/57/374882357.db2.gz VGDNSOHMCMZGGF-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292087 374923602 /nfs/dbraw/zinc/92/36/02/374923602.db2.gz KVGBMIWDGDXAFX-RKDXNWHRSA-N 1 1 295.343 1.093 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000331318073 374929095 /nfs/dbraw/zinc/92/90/95/374929095.db2.gz GVWICBBLWQHJFB-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000331318073 374929103 /nfs/dbraw/zinc/92/91/03/374929103.db2.gz GVWICBBLWQHJFB-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279767740 374957438 /nfs/dbraw/zinc/95/74/38/374957438.db2.gz BCXRMMRETQMSSL-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](CO)C3)nc2c1 ZINC000331465758 374959057 /nfs/dbraw/zinc/95/90/57/374959057.db2.gz JYVVVYYXSFXFPE-SECBINFHSA-N 1 1 276.296 1.285 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](CO)C3)nc2c1 ZINC000331465758 374959068 /nfs/dbraw/zinc/95/90/68/374959068.db2.gz JYVVVYYXSFXFPE-SECBINFHSA-N 1 1 276.296 1.285 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499867 374963779 /nfs/dbraw/zinc/96/37/79/374963779.db2.gz NVNYLNAQRGKRJJ-ZJUUUORDSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499867 374963786 /nfs/dbraw/zinc/96/37/86/374963786.db2.gz NVNYLNAQRGKRJJ-ZJUUUORDSA-N 1 1 290.323 1.674 20 5 CDBDMO CSC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332688780 375042721 /nfs/dbraw/zinc/04/27/21/375042721.db2.gz GSWCVHKQRVXXGS-ZDUSSCGKSA-N 1 1 282.365 1.677 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351823394 375332938 /nfs/dbraw/zinc/33/29/38/375332938.db2.gz MKELFUSQZNYDQL-GWCFXTLKSA-N 1 1 293.323 1.154 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351823394 375332942 /nfs/dbraw/zinc/33/29/42/375332942.db2.gz MKELFUSQZNYDQL-GWCFXTLKSA-N 1 1 293.323 1.154 20 5 CDBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877930 375548475 /nfs/dbraw/zinc/54/84/75/375548475.db2.gz RBMBKEHHWDIVJZ-CHWSQXEVSA-N 1 1 296.371 1.807 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354424531 375707653 /nfs/dbraw/zinc/70/76/53/375707653.db2.gz ZYOVKABOWYWKOQ-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000228257014 375729662 /nfs/dbraw/zinc/72/96/62/375729662.db2.gz XYTRMKMUDFVMOD-UHFFFAOYSA-N 1 1 277.324 1.939 20 5 CDBDMO C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000355348652 375793372 /nfs/dbraw/zinc/79/33/72/375793372.db2.gz ZSGXSWDADIQDHN-ZJUUUORDSA-N 1 1 252.318 1.949 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000430238682 247587033 /nfs/dbraw/zinc/58/70/33/247587033.db2.gz IKBNCDSBHMCCBT-PWSUYJOCSA-N 1 1 280.324 1.664 20 5 CDBDMO Cc1nc(NCCC[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296662494 376687463 /nfs/dbraw/zinc/68/74/63/376687463.db2.gz YOJOPZFAHJGIQB-UHFFFAOYSA-N 1 1 267.333 1.835 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264948927 190146874 /nfs/dbraw/zinc/14/68/74/190146874.db2.gz XPUKGYUMWBRIFM-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](O)C1 ZINC000265131295 190160125 /nfs/dbraw/zinc/16/01/25/190160125.db2.gz ITPSGGSXDCVQBM-SNVBAGLBSA-N 1 1 252.270 1.040 20 5 CDBDMO COC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000265737096 190203509 /nfs/dbraw/zinc/20/35/09/190203509.db2.gz BFEWXJDXDJAWML-JTQLQIEISA-N 1 1 293.323 1.162 20 5 CDBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000172771388 377740762 /nfs/dbraw/zinc/74/07/62/377740762.db2.gz WIQVZEWCSNHHQA-UHFFFAOYSA-N 1 1 268.317 1.370 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040142312 377790604 /nfs/dbraw/zinc/79/06/04/377790604.db2.gz LURGTIIUCFDIKQ-GFCCVEGCSA-N 1 1 277.280 1.540 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587788 378554017 /nfs/dbraw/zinc/55/40/17/378554017.db2.gz NHEVOUCHCHHYOL-DGCLKSJQSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587788 378554021 /nfs/dbraw/zinc/55/40/21/378554021.db2.gz NHEVOUCHCHHYOL-DGCLKSJQSA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000267059740 190300503 /nfs/dbraw/zinc/30/05/03/190300503.db2.gz IFVYTBMPPIERAP-SNVBAGLBSA-N 1 1 252.318 1.912 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1 ZINC000267066341 190301070 /nfs/dbraw/zinc/30/10/70/190301070.db2.gz JTDRIOJZNFHIHA-GFCCVEGCSA-N 1 1 275.312 1.957 20 5 CDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267068552 190301129 /nfs/dbraw/zinc/30/11/29/190301129.db2.gz VFZOAZBWELRKMQ-VIFPVBQESA-N 1 1 284.287 1.975 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267068552 190301130 /nfs/dbraw/zinc/30/11/30/190301130.db2.gz VFZOAZBWELRKMQ-VIFPVBQESA-N 1 1 284.287 1.975 20 5 CDBDMO CC[N@@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000267583747 190339424 /nfs/dbraw/zinc/33/94/24/190339424.db2.gz HFILPCCFFHUSNG-UHFFFAOYSA-N 1 1 279.296 1.940 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000450613725 251367656 /nfs/dbraw/zinc/36/76/56/251367656.db2.gz MOJLTZPJGGZUGW-GFCCVEGCSA-N 1 1 297.330 1.993 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491739609 253096549 /nfs/dbraw/zinc/09/65/49/253096549.db2.gz KIPOPJRBCQXGJD-LLPBQKLSSA-N 1 1 289.335 1.676 20 5 CDBDMO CCOc1cc(C[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000492415595 253214952 /nfs/dbraw/zinc/21/49/52/253214952.db2.gz GQSQQOFMNSKMRK-UHFFFAOYSA-N 1 1 254.286 1.418 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289383534 197321013 /nfs/dbraw/zinc/32/10/13/197321013.db2.gz JIYCGTDRPXHLOE-ZDUSSCGKSA-N 1 1 291.351 1.879 20 5 CDBDMO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312500 197293371 /nfs/dbraw/zinc/29/33/71/197293371.db2.gz FDQZDDXJNJIVKM-NHYWBVRUSA-N 1 1 293.367 1.701 20 5 CDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@H]2CCC[NH2+]C2)n1 ZINC000423303856 285168907 /nfs/dbraw/zinc/16/89/07/285168907.db2.gz MRLYJRRUBZJRKM-AVGNSLFASA-N 1 1 293.371 1.617 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000281632144 195315226 /nfs/dbraw/zinc/31/52/26/195315226.db2.gz IJMISLUKHYVSLH-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784851 390552892 /nfs/dbraw/zinc/55/28/92/390552892.db2.gz CYIWSGMDSGSDKZ-RNCFNFMXSA-N 1 1 265.288 1.874 20 5 CDBDMO CC[C@H](O)C[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178228693 390847627 /nfs/dbraw/zinc/84/76/27/390847627.db2.gz CXDKGCYFCGTRIM-LBPRGKRZSA-N 1 1 294.355 1.191 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000413334952 391202275 /nfs/dbraw/zinc/20/22/75/391202275.db2.gz SXWIDDTVIYPAIH-JTQLQIEISA-N 1 1 298.318 1.388 20 5 CDBDMO COCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504402 391399138 /nfs/dbraw/zinc/39/91/38/391399138.db2.gz WOPFDIWIJGCHMI-NSHDSACASA-N 1 1 280.328 1.513 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000521101448 391618754 /nfs/dbraw/zinc/61/87/54/391618754.db2.gz LFTIQGQJENERDJ-NWDGAFQWSA-N 1 1 293.371 1.650 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548929393 392515215 /nfs/dbraw/zinc/51/52/15/392515215.db2.gz UVRMUGUGZJDQTD-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755036 392653395 /nfs/dbraw/zinc/65/33/95/392653395.db2.gz WJAMFSODTBSXTF-JSGCOSHPSA-N 1 1 296.371 1.520 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734100 392876122 /nfs/dbraw/zinc/87/61/22/392876122.db2.gz UKBHLFGGDMJXAS-YPMHNXCESA-N 1 1 276.340 1.910 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000421234713 392928773 /nfs/dbraw/zinc/92/87/73/392928773.db2.gz FSHRQTZDIDALPT-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000525803812 392938088 /nfs/dbraw/zinc/93/80/88/392938088.db2.gz OQSAPSFHDSZRDV-SECBINFHSA-N 1 1 283.353 1.728 20 5 CDBDMO CCCNCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305687 392960018 /nfs/dbraw/zinc/96/00/18/392960018.db2.gz CENCZBIFWHTYQM-QWHCGFSZSA-N 1 1 295.387 1.864 20 5 CDBDMO COCCNCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331609 392961676 /nfs/dbraw/zinc/96/16/76/392961676.db2.gz MRDWZKJHJYWCOS-HNNXBMFYSA-N 1 1 293.367 1.798 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160113 140089006 /nfs/dbraw/zinc/08/90/06/140089006.db2.gz XRCMCHIHOYHSBB-UHFFFAOYSA-N 1 1 297.380 1.998 20 5 CDBDMO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000255396104 140336879 /nfs/dbraw/zinc/33/68/79/140336879.db2.gz YKDUCKNBDUWWAJ-ALCCZGGFSA-N 1 1 277.324 1.804 20 5 CDBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000255396104 140336880 /nfs/dbraw/zinc/33/68/80/140336880.db2.gz 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ZINC000346247561 153111863 /nfs/dbraw/zinc/11/18/63/153111863.db2.gz XSJPIJSFDYQXPC-UHFFFAOYSA-N 1 1 285.319 1.138 20 5 CDBDMO CCN(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000346247561 153111866 /nfs/dbraw/zinc/11/18/66/153111866.db2.gz XSJPIJSFDYQXPC-UHFFFAOYSA-N 1 1 285.319 1.138 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195231 155013790 /nfs/dbraw/zinc/01/37/90/155013790.db2.gz PDCFELHVACRUQZ-AAEUAGOBSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352230835 155043835 /nfs/dbraw/zinc/04/38/35/155043835.db2.gz MJALNKOJBBQIPR-NSHDSACASA-N 1 1 298.339 1.685 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375329780 160368882 /nfs/dbraw/zinc/36/88/82/160368882.db2.gz WGWQXEONIPSPCQ-CYBMUJFWSA-N 1 1 273.296 1.633 20 5 CDBDMO CC[N@@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000357239631 157702700 /nfs/dbraw/zinc/70/27/00/157702700.db2.gz PNXIRSRHWUDUPS-UHFFFAOYSA-N 1 1 294.355 1.836 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000359482711 158261506 /nfs/dbraw/zinc/26/15/06/158261506.db2.gz OKJMSMYXPZRYHA-LLVKDONJSA-N 1 1 297.359 1.252 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072109 159059523 /nfs/dbraw/zinc/05/95/23/159059523.db2.gz KORGDFQEMLHZOP-PWSUYJOCSA-N 1 1 280.324 1.664 20 5 CDBDMO Cc1nn(C)c(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000044563295 175206549 /nfs/dbraw/zinc/20/65/49/175206549.db2.gz GQEBTXJULRHKIT-JTQLQIEISA-N 1 1 267.333 1.533 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727457 287362499 /nfs/dbraw/zinc/36/24/99/287362499.db2.gz SPTHPAVPQFUGJI-NXEZZACHSA-N 1 1 252.318 1.949 20 5 CDBDMO COC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842782 270312999 /nfs/dbraw/zinc/31/29/99/270312999.db2.gz WXWWMKSTAJQXDN-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO CC(C)[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000487950352 270398277 /nfs/dbraw/zinc/39/82/77/270398277.db2.gz GRVJTRDUUKAYRW-LLVKDONJSA-N 1 1 281.360 1.100 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000105790519 274271419 /nfs/dbraw/zinc/27/14/19/274271419.db2.gz WQVXUKHIDFMIPT-WDEREUQCSA-N 1 1 297.330 1.625 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277605409 276071104 /nfs/dbraw/zinc/07/11/04/276071104.db2.gz PEJHAADVJAZNJC-UHFFFAOYSA-N 1 1 281.312 1.285 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048411458 276187016 /nfs/dbraw/zinc/18/70/16/276187016.db2.gz KEFYZGDGFMLHQF-NSHDSACASA-N 1 1 277.324 1.809 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048105 277248547 /nfs/dbraw/zinc/24/85/47/277248547.db2.gz FNAHROGCHPOXCJ-GHMZBOCLSA-N 1 1 279.340 1.970 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278564294 281022668 /nfs/dbraw/zinc/02/26/68/281022668.db2.gz BQMCJEQCIVPUAQ-TVYUQYBPSA-N 1 1 266.297 1.002 20 5 CDBDMO CCOc1ccc(-c2nc(C[NH3+])no2)cc1[N+](=O)[O-] ZINC000569845015 316862247 /nfs/dbraw/zinc/86/22/47/316862247.db2.gz LFYADIMWWMXARR-UHFFFAOYSA-N 1 1 264.241 1.502 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762489 325038029 /nfs/dbraw/zinc/03/80/29/325038029.db2.gz JYTJWLRCFMAXCC-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000338424453 521071834 /nfs/dbraw/zinc/07/18/34/521071834.db2.gz OKXSWMSSJHCACH-UHFFFAOYSA-N 1 1 266.301 1.137 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000356913568 525101454 /nfs/dbraw/zinc/10/14/54/525101454.db2.gz YHUVEYZDESHNGN-IUCAKERBSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000356913568 525101463 /nfs/dbraw/zinc/10/14/63/525101463.db2.gz YHUVEYZDESHNGN-IUCAKERBSA-N 1 1 283.353 1.821 20 5 CDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000742196671 576586210 /nfs/dbraw/zinc/58/62/10/576586210.db2.gz MHBLNQNDLZMIBS-JTQLQIEISA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000742196671 576586211 /nfs/dbraw/zinc/58/62/11/576586211.db2.gz MHBLNQNDLZMIBS-JTQLQIEISA-N 1 1 277.324 1.679 20 5 CDBDMO COc1c(O)ccc(CNC[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000892720829 617648671 /nfs/dbraw/zinc/64/86/71/617648671.db2.gz GKFOSVQYRRLOSQ-LLVKDONJSA-N 1 1 295.339 1.493 20 5 CDBDMO COc1c(O)ccc(CNC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000892720829 617648673 /nfs/dbraw/zinc/64/86/73/617648673.db2.gz GKFOSVQYRRLOSQ-LLVKDONJSA-N 1 1 295.339 1.493 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893935599 618195565 /nfs/dbraw/zinc/19/55/65/618195565.db2.gz RDJJWBKWVWSIHN-GZMMTYOYSA-N 1 1 266.276 1.269 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000826569234 618600079 /nfs/dbraw/zinc/60/00/79/618600079.db2.gz WTTZPYKKPZRSHY-LLVKDONJSA-N 1 1 297.742 1.503 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826569234 618600082 /nfs/dbraw/zinc/60/00/82/618600082.db2.gz WTTZPYKKPZRSHY-LLVKDONJSA-N 1 1 297.742 1.503 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000895246321 619491658 /nfs/dbraw/zinc/49/16/58/619491658.db2.gz MYMWFGPOLLPAAN-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246892 619493342 /nfs/dbraw/zinc/49/33/42/619493342.db2.gz QXOUJWOLVXHDEZ-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683768 621072623 /nfs/dbraw/zinc/07/26/23/621072623.db2.gz GRPSTMPTONDAAS-BXKDBHETSA-N 1 1 296.323 1.425 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683768 621072625 /nfs/dbraw/zinc/07/26/25/621072625.db2.gz GRPSTMPTONDAAS-BXKDBHETSA-N 1 1 296.323 1.425 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000899859307 622486455 /nfs/dbraw/zinc/48/64/55/622486455.db2.gz IWPCIPHMSSSMAL-NSHDSACASA-N 1 1 269.370 1.751 20 5 CDBDMO COc1ccccc1[C@@H](CNCC[N+](=O)[O-])[NH+]1CCCC1 ZINC000899860854 622487882 /nfs/dbraw/zinc/48/78/82/622487882.db2.gz VRPVFGMJJPZUEY-CQSZACIVSA-N 1 1 293.367 1.698 20 5 CDBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905219939 626698161 /nfs/dbraw/zinc/69/81/61/626698161.db2.gz VHJJMDUILKFCQL-HNNXBMFYSA-N 1 1 277.368 1.763 20 5 CDBDMO CN(Cc1ccccc1)[C@@H](C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905219939 626698163 /nfs/dbraw/zinc/69/81/63/626698163.db2.gz VHJJMDUILKFCQL-HNNXBMFYSA-N 1 1 277.368 1.763 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000905453528 626822121 /nfs/dbraw/zinc/82/21/21/626822121.db2.gz QREZAJJZINMSJN-ZDUSSCGKSA-N 1 1 292.335 1.926 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000910295338 629004159 /nfs/dbraw/zinc/00/41/59/629004159.db2.gz ZXJOSMWJSGZSNN-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO CC1(C)CN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000929531476 630671067 /nfs/dbraw/zinc/67/10/67/630671067.db2.gz RNLVVZDHKQVHJF-UHFFFAOYSA-N 1 1 277.368 1.860 20 5 CDBDMO CC(C)[C@H](CO)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929796400 631076102 /nfs/dbraw/zinc/07/61/02/631076102.db2.gz LHFUBFQAPNEBQR-AWEZNQCLSA-N 1 1 266.341 1.782 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170340003 1162346744 /nfs/dbraw/zinc/34/67/44/1162346744.db2.gz CGAZVPQIYJDPDB-RYUDHWBXSA-N 1 1 294.351 1.849 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000814174137 1164055851 /nfs/dbraw/zinc/05/58/51/1164055851.db2.gz ZKPDMTAIMYXOMU-IMRBUKKESA-N 1 1 290.319 1.754 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000814174137 1164055856 /nfs/dbraw/zinc/05/58/56/1164055856.db2.gz ZKPDMTAIMYXOMU-IMRBUKKESA-N 1 1 290.319 1.754 20 5 CDBDMO O=[N+]([O-])c1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164766343 721279459 /nfs/dbraw/zinc/27/94/59/721279459.db2.gz DQEKMYUXAKGGKQ-UHFFFAOYSA-N 1 1 288.351 1.912 20 5 CDBDMO COC(C)(C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586802 728861967 /nfs/dbraw/zinc/86/19/67/728861967.db2.gz PYTMENYZLBVBHJ-ZDUSSCGKSA-N 1 1 282.340 1.985 20 5 CDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000886595459 728865310 /nfs/dbraw/zinc/86/53/10/728865310.db2.gz JIKULEKXUQTHPQ-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000886595459 728865311 /nfs/dbraw/zinc/86/53/11/728865311.db2.gz JIKULEKXUQTHPQ-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)(CCC(=O)O[C@H]1CC[N@H+](CCF)C1)[N+](=O)[O-] ZINC000835372210 729081077 /nfs/dbraw/zinc/08/10/77/729081077.db2.gz UBOAJRWMNBSXAI-JTQLQIEISA-N 1 1 276.308 1.409 20 5 CDBDMO CC(C)(CCC(=O)O[C@H]1CC[N@@H+](CCF)C1)[N+](=O)[O-] ZINC000835372210 729081079 /nfs/dbraw/zinc/08/10/79/729081079.db2.gz UBOAJRWMNBSXAI-JTQLQIEISA-N 1 1 276.308 1.409 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886821922 728381933 /nfs/dbraw/zinc/38/19/33/728381933.db2.gz JSYXBIXPLOMFJX-WCQYABFASA-N 1 1 280.328 1.292 20 5 CDBDMO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025636941 728481770 /nfs/dbraw/zinc/48/17/70/728481770.db2.gz JEDDKNSBPXLHSX-NHAGDIPZSA-N 1 1 289.335 1.551 20 5 CDBDMO C[N@H+]1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891438565 728978561 /nfs/dbraw/zinc/97/85/61/728978561.db2.gz PHRVODWJPXRYLF-UHFFFAOYSA-N 1 1 280.284 1.645 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673162 729186038 /nfs/dbraw/zinc/18/60/38/729186038.db2.gz YJDQPKYDVWQABE-LLVKDONJSA-N 1 1 292.339 1.343 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000930512889 729226631 /nfs/dbraw/zinc/22/66/31/729226631.db2.gz HVNMCUUMVADYKB-CQSZACIVSA-N 1 1 262.309 1.733 20 5 CDBDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929633459 729272169 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CSc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928570560 729509268 /nfs/dbraw/zinc/50/92/68/729509268.db2.gz WIBRZFFEYHTELG-SNVBAGLBSA-N 1 1 295.364 1.751 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823962564 729519682 /nfs/dbraw/zinc/51/96/82/729519682.db2.gz UNGDOTCLADNPDL-VIFPVBQESA-N 1 1 293.327 1.250 20 5 CDBDMO CC[C@@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822647895 729521747 /nfs/dbraw/zinc/52/17/47/729521747.db2.gz VOAQGOMMMFZRJY-SECBINFHSA-N 1 1 262.269 1.978 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C/C=C/CO)c1 ZINC000717524596 729539620 /nfs/dbraw/zinc/53/96/20/729539620.db2.gz FLBWLJXPTDSTRT-OWOJBTEDSA-N 1 1 256.689 1.886 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000829015408 729697413 /nfs/dbraw/zinc/69/74/13/729697413.db2.gz IDGHRBVGDDRGSB-BETUJISGSA-N 1 1 293.367 1.795 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000062350994 729798194 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COc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000597492993 343557314 /nfs/dbraw/zinc/55/73/14/343557314.db2.gz XTGMSBYUFBRLJL-UHFFFAOYSA-N 1 1 279.296 1.636 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646665 343856353 /nfs/dbraw/zinc/85/63/53/343856353.db2.gz WINVFKOECNRMSJ-OLZOCXBDSA-N 1 1 294.351 1.924 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997431 362284779 /nfs/dbraw/zinc/28/47/79/362284779.db2.gz FUALUFYEVRZOJS-SMDDNHRTSA-N 1 1 291.351 1.451 20 5 CDBDMO CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599572950 344091003 /nfs/dbraw/zinc/09/10/03/344091003.db2.gz JYAVZOAPECYQQA-UHFFFAOYSA-N 1 1 266.297 1.769 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@H]1C ZINC000602782726 344598017 /nfs/dbraw/zinc/59/80/17/344598017.db2.gz WHKOLDUVHCGNSC-NXEZZACHSA-N 1 1 252.318 1.830 20 5 CDBDMO CCCC[N@@H+](CCCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602806446 344615066 /nfs/dbraw/zinc/61/50/66/344615066.db2.gz 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C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157219748 351595730 /nfs/dbraw/zinc/59/57/30/351595730.db2.gz HHPSLHCLCJAWKH-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157219748 351595736 /nfs/dbraw/zinc/59/57/36/351595736.db2.gz HHPSLHCLCJAWKH-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO Cn1nncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291718286 198069627 /nfs/dbraw/zinc/06/96/27/198069627.db2.gz MFJJVERDECLWDA-UHFFFAOYSA-N 1 1 275.312 1.748 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888625 187113466 /nfs/dbraw/zinc/11/34/66/187113466.db2.gz KDKLPUPMEIDIHV-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSC1 ZINC000152634285 188034316 /nfs/dbraw/zinc/03/43/16/188034316.db2.gz UWMNQDGHSJYPAL-LLVKDONJSA-N 1 1 283.353 1.194 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292531407 198323105 /nfs/dbraw/zinc/32/31/05/198323105.db2.gz XBZUJJXXNNLMCX-GWCFXTLKSA-N 1 1 280.324 1.949 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292531407 198323107 /nfs/dbraw/zinc/32/31/07/198323107.db2.gz XBZUJJXXNNLMCX-GWCFXTLKSA-N 1 1 280.324 1.949 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293276453 198584901 /nfs/dbraw/zinc/58/49/01/198584901.db2.gz CGXKWVXSHVNAOD-NSHDSACASA-N 1 1 252.314 1.840 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931921 363382747 /nfs/dbraw/zinc/38/27/47/363382747.db2.gz IKTOZWABFVBOJE-GFCCVEGCSA-N 1 1 277.324 1.505 20 5 CDBDMO Cc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271872255 191379989 /nfs/dbraw/zinc/37/99/89/191379989.db2.gz LQNFCILOOYNINS-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286271783 356240160 /nfs/dbraw/zinc/24/01/60/356240160.db2.gz BIVQGIJSUUITHY-CHWSQXEVSA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1nnc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000273616778 192232045 /nfs/dbraw/zinc/23/20/45/192232045.db2.gz PQMNFWLGCQCFNH-ZETCQYMHSA-N 1 1 282.329 1.302 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119271908 357350937 /nfs/dbraw/zinc/35/09/37/357350937.db2.gz BMGMOLXNYAIHMI-UHFFFAOYSA-N 1 1 292.299 1.033 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000126346011 357597259 /nfs/dbraw/zinc/59/72/59/357597259.db2.gz LHICRDDZBLEFOP-UHFFFAOYSA-N 1 1 267.329 1.975 20 5 CDBDMO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360443 357656478 /nfs/dbraw/zinc/65/64/78/357656478.db2.gz FERBSDDMTDPWHE-UHFFFAOYSA-N 1 1 283.284 1.707 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360443 357656479 /nfs/dbraw/zinc/65/64/79/357656479.db2.gz FERBSDDMTDPWHE-UHFFFAOYSA-N 1 1 283.284 1.707 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+](C)CCOC ZINC000360955674 357756579 /nfs/dbraw/zinc/75/65/79/357756579.db2.gz XFMGNFPKXJFSPW-UHFFFAOYSA-N 1 1 299.375 1.500 20 5 CDBDMO CCC[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000072751461 358290370 /nfs/dbraw/zinc/29/03/70/358290370.db2.gz WMLANEDEYQPIMY-CYBMUJFWSA-N 1 1 298.339 1.039 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558433 358319257 /nfs/dbraw/zinc/31/92/57/358319257.db2.gz WVAFGFSPLMTDQU-AWEZNQCLSA-N 1 1 277.324 1.601 20 5 CDBDMO CCCC[N@@H+](CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000176238207 358745502 /nfs/dbraw/zinc/74/55/02/358745502.db2.gz PXWKFWVVKHDTMK-UHFFFAOYSA-N 1 1 270.333 1.540 20 5 CDBDMO [NH3+]CC(F)(F)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000162660131 359149369 /nfs/dbraw/zinc/14/93/69/359149369.db2.gz CQOYCFNYKDSBDK-UHFFFAOYSA-N 1 1 266.635 1.649 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297163291 200102215 /nfs/dbraw/zinc/10/22/15/200102215.db2.gz PAYYUJUEVLPXIS-GFCCVEGCSA-N 1 1 293.371 1.861 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905704 363696528 /nfs/dbraw/zinc/69/65/28/363696528.db2.gz OKFQJADMWGNXMO-ZYHUDNBSSA-N 1 1 266.297 1.429 20 5 CDBDMO COC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599351 360081191 /nfs/dbraw/zinc/08/11/91/360081191.db2.gz PRESLLHMSIZVRR-UHFFFAOYSA-N 1 1 252.270 1.590 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177176366 189034293 /nfs/dbraw/zinc/03/42/93/189034293.db2.gz WWXQDJPPHQQPAR-GHMZBOCLSA-N 1 1 289.335 1.950 20 5 CDBDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248338653 360498043 /nfs/dbraw/zinc/49/80/43/360498043.db2.gz HWPGTWQLCRXNAL-DGCLKSJQSA-N 1 1 284.360 1.520 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000130475201 360666276 /nfs/dbraw/zinc/66/62/76/360666276.db2.gz RZIOGNCBQCEGRU-UHFFFAOYSA-N 1 1 292.295 1.903 20 5 CDBDMO CC(C)[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178564423 189127333 /nfs/dbraw/zinc/12/73/33/189127333.db2.gz ANICHBLQXLLKON-ZDUSSCGKSA-N 1 1 268.313 1.331 20 5 CDBDMO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053251026 361402807 /nfs/dbraw/zinc/40/28/07/361402807.db2.gz LHCHQCJUFMMNAL-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CNC1 ZINC000582295213 364082845 /nfs/dbraw/zinc/08/28/45/364082845.db2.gz GQBVBRAIBZYDBN-BXUZGUMPSA-N 1 1 275.352 1.867 20 5 CDBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000268469335 364778472 /nfs/dbraw/zinc/77/84/72/364778472.db2.gz HNGRNAQFPDTHCG-UHFFFAOYSA-N 1 1 276.296 1.660 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275259859 192979528 /nfs/dbraw/zinc/97/95/28/192979528.db2.gz RBJFJEKTPGJOHH-UHFFFAOYSA-N 1 1 293.323 1.182 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871997 366938896 /nfs/dbraw/zinc/93/88/96/366938896.db2.gz JIBJUMBNILWFCC-YPMHNXCESA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000076116326 366983691 /nfs/dbraw/zinc/98/36/91/366983691.db2.gz LGXRBMMZYXGHFR-AAEUAGOBSA-N 1 1 280.324 1.819 20 5 CDBDMO COc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153150867 367053725 /nfs/dbraw/zinc/05/37/25/367053725.db2.gz NDVCAODWRARUCU-JSGCOSHPSA-N 1 1 293.323 1.123 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562729 369080344 /nfs/dbraw/zinc/08/03/44/369080344.db2.gz JUNKRSDEYDRLSD-ZETCQYMHSA-N 1 1 257.315 1.271 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330677797 203105520 /nfs/dbraw/zinc/10/55/20/203105520.db2.gz VOGJVBIJXLMOCM-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330677797 203105523 /nfs/dbraw/zinc/10/55/23/203105523.db2.gz VOGJVBIJXLMOCM-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO Cc1c([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874877 203338858 /nfs/dbraw/zinc/33/88/58/203338858.db2.gz ISLVUCBVCVTNIP-SWLSCSKDSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000330874877 203338860 /nfs/dbraw/zinc/33/88/60/203338860.db2.gz ISLVUCBVCVTNIP-SWLSCSKDSA-N 1 1 293.367 1.620 20 5 CDBDMO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861975 370426598 /nfs/dbraw/zinc/42/65/98/370426598.db2.gz MRJQEXLEAVDGTE-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700026 370575371 /nfs/dbraw/zinc/57/53/71/370575371.db2.gz MIACJHZRUHHLNF-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356614151 372984870 /nfs/dbraw/zinc/98/48/70/372984870.db2.gz UCBXZCSFTXITKY-GXSJLCMTSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356614151 372984872 /nfs/dbraw/zinc/98/48/72/372984872.db2.gz UCBXZCSFTXITKY-GXSJLCMTSA-N 1 1 293.323 1.513 20 5 CDBDMO CC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269593708 373030588 /nfs/dbraw/zinc/03/05/88/373030588.db2.gz IWNIQKHCQBZGRJ-UHFFFAOYSA-N 1 1 291.351 1.610 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2CO)c1 ZINC000269638121 373237205 /nfs/dbraw/zinc/23/72/05/373237205.db2.gz IECOTFYYDJRBAZ-STQMWFEESA-N 1 1 266.297 1.085 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523131 373750213 /nfs/dbraw/zinc/75/02/13/373750213.db2.gz ZMEXEXMKQZDPNA-UWVGGRQHSA-N 1 1 279.296 1.544 20 5 CDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952502 374307830 /nfs/dbraw/zinc/30/78/30/374307830.db2.gz XZJKGGLJQJYRMJ-QWHCGFSZSA-N 1 1 294.351 1.924 20 5 CDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056163 374377299 /nfs/dbraw/zinc/37/72/99/374377299.db2.gz OYVPLWGPRARDCP-NWDGAFQWSA-N 1 1 293.371 1.387 20 5 CDBDMO CC[C@H](NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523853 374388994 /nfs/dbraw/zinc/38/89/94/374388994.db2.gz NUJZHNCRLJXNHQ-KGLIPLIRSA-N 1 1 279.340 1.624 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCOCC1 ZINC000376622939 374564601 /nfs/dbraw/zinc/56/46/01/374564601.db2.gz YNYVPXHQRRDCLA-UHFFFAOYSA-N 1 1 266.297 1.696 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351952731 374699255 /nfs/dbraw/zinc/69/92/55/374699255.db2.gz XCTLWHXGGOBVLV-GXFFZTMASA-N 1 1 266.297 1.286 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351952730 374699770 /nfs/dbraw/zinc/69/97/70/374699770.db2.gz XCTLWHXGGOBVLV-GWCFXTLKSA-N 1 1 266.297 1.286 20 5 CDBDMO Cc1cc(OCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000330499529 374858335 /nfs/dbraw/zinc/85/83/35/374858335.db2.gz JHSCTNVSZNQFJL-UHFFFAOYSA-N 1 1 293.323 1.056 20 5 CDBDMO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330488304 374858625 /nfs/dbraw/zinc/85/86/25/374858625.db2.gz JNQYRUCOJXAPKP-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000293824496 374957218 /nfs/dbraw/zinc/95/72/18/374957218.db2.gz 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CDBDMO CC(C)c1ccc(C[N@@H+](CCO)CCCO)cc1[N+](=O)[O-] ZINC000093324004 147043479 /nfs/dbraw/zinc/04/34/79/147043479.db2.gz QKBCTXZGYDGTKW-UHFFFAOYSA-N 1 1 296.367 1.895 20 5 CDBDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397430 155158854 /nfs/dbraw/zinc/15/88/54/155158854.db2.gz JRSPSSMDKRWBSV-WCQYABFASA-N 1 1 284.360 1.663 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)n1 ZINC000176209336 148026800 /nfs/dbraw/zinc/02/68/00/148026800.db2.gz XCQMDNSTDMUYQY-NSHDSACASA-N 1 1 280.328 1.292 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271783 148035475 /nfs/dbraw/zinc/03/54/75/148035475.db2.gz NTBGNUWVQWZVCE-CYBMUJFWSA-N 1 1 295.387 1.455 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343458071 152187477 /nfs/dbraw/zinc/18/74/77/152187477.db2.gz VWOYUIORVSVVFK-MFKMUULPSA-N 1 1 277.324 1.807 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948583 152366373 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C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044538561 175199689 /nfs/dbraw/zinc/19/96/89/175199689.db2.gz MPEOVDHPSKQWIQ-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO CCO[C@H]1C[C@H]1[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000517069692 280972428 /nfs/dbraw/zinc/97/24/28/280972428.db2.gz DBVVOLZZCUQRER-SKDRFNHKSA-N 1 1 282.296 1.576 20 5 CDBDMO Cn1c[nH+]cc1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000543440839 289592607 /nfs/dbraw/zinc/59/26/07/289592607.db2.gz OKIVBROXAZIDGN-UHFFFAOYSA-N 1 1 298.306 1.348 20 5 CDBDMO C[C@@H](C(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564385764 293350873 /nfs/dbraw/zinc/35/08/73/293350873.db2.gz WABLIPOVKVRADU-LLVKDONJSA-N 1 1 277.324 1.472 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895320 316140831 /nfs/dbraw/zinc/14/08/31/316140831.db2.gz XJYATKOIRQEXBX-LLVKDONJSA-N 1 1 288.307 1.988 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578910817 324057836 /nfs/dbraw/zinc/05/78/36/324057836.db2.gz XHQUSSQYDKERAF-CYBMUJFWSA-N 1 1 291.351 1.690 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494193 324206315 /nfs/dbraw/zinc/20/63/15/324206315.db2.gz GPACXNCDOVQPQY-UKRRQHHQSA-N 1 1 291.351 1.238 20 5 CDBDMO CN1CC[C@@](O)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494193 324206318 /nfs/dbraw/zinc/20/63/18/324206318.db2.gz GPACXNCDOVQPQY-UKRRQHHQSA-N 1 1 291.351 1.238 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000583202923 325127303 /nfs/dbraw/zinc/12/73/03/325127303.db2.gz XSTSHIVVQAFAGT-UHFFFAOYSA-N 1 1 253.302 1.487 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715377 1159534848 /nfs/dbraw/zinc/53/48/48/1159534848.db2.gz ZCAHPVXFJIANJJ-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000112926749 520233848 /nfs/dbraw/zinc/23/38/48/520233848.db2.gz OVKRFMYXBICGEK-UHFFFAOYSA-N 1 1 297.380 1.998 20 5 CDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806572 522745383 /nfs/dbraw/zinc/74/53/83/522745383.db2.gz PVGZOZQXSPGAPG-GFCCVEGCSA-N 1 1 294.355 1.261 20 5 CDBDMO Cc1c(C(=O)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000338419235 525613417 /nfs/dbraw/zinc/61/34/17/525613417.db2.gz KZYPTSRWJVDOBW-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159546521 525782330 /nfs/dbraw/zinc/78/23/30/525782330.db2.gz PKUVSYGLAMXTCE-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000054985612 527492025 /nfs/dbraw/zinc/49/20/25/527492025.db2.gz YJHOKPCIRDISGI-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000054985612 527492034 /nfs/dbraw/zinc/49/20/34/527492034.db2.gz YJHOKPCIRDISGI-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670576 528670721 /nfs/dbraw/zinc/67/07/21/528670721.db2.gz UNQFXWBNDVLIJH-CYBMUJFWSA-N 1 1 282.340 1.721 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000746004978 574855562 /nfs/dbraw/zinc/85/55/62/574855562.db2.gz ZLWKFAVXZLUJAF-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000746004978 574855563 /nfs/dbraw/zinc/85/55/63/574855563.db2.gz ZLWKFAVXZLUJAF-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755815678 575543826 /nfs/dbraw/zinc/54/38/26/575543826.db2.gz PXSSOGRMEGHISY-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000755815678 575543830 /nfs/dbraw/zinc/54/38/30/575543830.db2.gz PXSSOGRMEGHISY-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000771895518 575633455 /nfs/dbraw/zinc/63/34/55/575633455.db2.gz GRGJINOMDPRBKR-UHFFFAOYSA-N 1 1 278.268 1.295 20 5 CDBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761066865 576540468 /nfs/dbraw/zinc/54/04/68/576540468.db2.gz CXVOTYYDZZVJMZ-SNVBAGLBSA-N 1 1 267.304 1.870 20 5 CDBDMO CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957548064 615101700 /nfs/dbraw/zinc/10/17/00/615101700.db2.gz YRTVKBRLEYSQAD-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)C[NH+]2CCC1CC2 ZINC000892800258 617767545 /nfs/dbraw/zinc/76/75/45/617767545.db2.gz NLJWKOMPXYYBQK-ZDUSSCGKSA-N 1 1 295.364 1.870 20 5 CDBDMO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893007029 618051596 /nfs/dbraw/zinc/05/15/96/618051596.db2.gz FTKAHWIKHSNQMX-UMSGYPCISA-N 1 1 283.372 1.373 20 5 CDBDMO Cc1nc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893941124 618204675 /nfs/dbraw/zinc/20/46/75/618204675.db2.gz QTZRHDVBXREHJX-PWSUYJOCSA-N 1 1 262.313 1.439 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C[C@H](C)O)C2CC2)c1[N+](=O)[O-] ZINC000895231409 619467267 /nfs/dbraw/zinc/46/72/67/619467267.db2.gz ZQBLAYQJOKLUGH-VIFPVBQESA-N 1 1 296.323 1.654 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@@H+](C)CCN1C ZINC000895245629 619486488 /nfs/dbraw/zinc/48/64/88/619486488.db2.gz HEHCUITYMJYJHD-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CN(C)CC[N@H+]1C ZINC000895245629 619486491 /nfs/dbraw/zinc/48/64/91/619486491.db2.gz HEHCUITYMJYJHD-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246950 619493379 /nfs/dbraw/zinc/49/33/79/619493379.db2.gz DFQZCRFTERHUQM-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895246950 619493383 /nfs/dbraw/zinc/49/33/83/619493383.db2.gz DFQZCRFTERHUQM-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895246950 619493387 /nfs/dbraw/zinc/49/33/87/619493387.db2.gz DFQZCRFTERHUQM-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246947 619493906 /nfs/dbraw/zinc/49/39/06/619493906.db2.gz DFQZCRFTERHUQM-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895246947 619493911 /nfs/dbraw/zinc/49/39/11/619493911.db2.gz DFQZCRFTERHUQM-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895246947 619493920 /nfs/dbraw/zinc/49/39/20/619493920.db2.gz DFQZCRFTERHUQM-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])c(OC)c1OC ZINC000905040046 626379521 /nfs/dbraw/zinc/37/95/21/626379521.db2.gz ZBFHPOWIODJDJY-UHFFFAOYSA-N 1 1 270.285 1.079 20 5 CDBDMO C[N@H+](Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1)C(C)(C)C ZINC000905057273 626606673 /nfs/dbraw/zinc/60/66/73/626606673.db2.gz OQIVSJXUBZYXAF-UHFFFAOYSA-N 1 1 290.327 1.801 20 5 CDBDMO C[N@@H+](Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1)C(C)(C)C ZINC000905057273 626606674 /nfs/dbraw/zinc/60/66/74/626606674.db2.gz OQIVSJXUBZYXAF-UHFFFAOYSA-N 1 1 290.327 1.801 20 5 CDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000905280225 626734205 /nfs/dbraw/zinc/73/42/05/626734205.db2.gz MRACFAVJPLLKIN-WDEREUQCSA-N 1 1 277.324 1.219 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905403272 626797323 /nfs/dbraw/zinc/79/73/23/626797323.db2.gz FTHRQZXQZDMEGN-AWEZNQCLSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905403272 626797326 /nfs/dbraw/zinc/79/73/26/626797326.db2.gz FTHRQZXQZDMEGN-AWEZNQCLSA-N 1 1 263.341 1.436 20 5 CDBDMO C[C@@H]1CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976039 627064991 /nfs/dbraw/zinc/06/49/91/627064991.db2.gz XNNMNQKVPCMXHS-GHMZBOCLSA-N 1 1 266.297 1.429 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCCCO)C2CC2)c1 ZINC000154356950 632188315 /nfs/dbraw/zinc/18/83/15/632188315.db2.gz LQCRLXTZQCNFEM-HNNXBMFYSA-N 1 1 294.351 1.865 20 5 CDBDMO O=[N+]([O-])CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060171 632510080 /nfs/dbraw/zinc/51/00/80/632510080.db2.gz GMICSHJNTAXTGO-WCQYABFASA-N 1 1 253.346 1.212 20 5 CDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363343 1161973009 /nfs/dbraw/zinc/97/30/09/1161973009.db2.gz OTDICDBFKAFJKC-AAVRWANBSA-N 1 1 295.383 1.326 20 5 CDBDMO C[N@@H+](CCCF)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591067095 1173571846 /nfs/dbraw/zinc/57/18/46/1173571846.db2.gz YNTFCIWYAICZES-UHFFFAOYSA-N 1 1 294.290 1.566 20 5 CDBDMO C[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000312500735 1186699425 /nfs/dbraw/zinc/69/94/25/1186699425.db2.gz LOUNMXVSAFDMDX-SMDDNHRTSA-N 1 1 281.356 1.416 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640728 719170109 /nfs/dbraw/zinc/17/01/09/719170109.db2.gz VQKICMSQCNPADU-NXEZZACHSA-N 1 1 250.302 1.519 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)NC ZINC000933866857 730491869 /nfs/dbraw/zinc/49/18/69/730491869.db2.gz JJPVFXQIXYDWQA-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000840120782 730566691 /nfs/dbraw/zinc/56/66/91/730566691.db2.gz OOSLREFCJULGHN-IJLUTSLNSA-N 1 1 280.328 1.374 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886094708 730569993 /nfs/dbraw/zinc/56/99/93/730569993.db2.gz XVFLGXCMOUMYRN-GXSJLCMTSA-N 1 1 251.286 1.193 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000776591353 730589562 /nfs/dbraw/zinc/58/95/62/730589562.db2.gz OBFSZVBSRCNDPY-KBPBESRZSA-N 1 1 296.367 1.967 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccnc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000882274247 730675033 /nfs/dbraw/zinc/67/50/33/730675033.db2.gz DKVCJYBIKFNXEU-DTORHVGOSA-N 1 1 266.276 1.127 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000778267219 730689119 /nfs/dbraw/zinc/68/91/19/730689119.db2.gz CECLBYOSBOVYNC-GXTWGEPZSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@H](O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092355 730700719 /nfs/dbraw/zinc/70/07/19/730700719.db2.gz DPIBLAOQGUVLHU-HZMBPMFUSA-N 1 1 280.324 1.473 20 5 CDBDMO C[N@H+]1CCCC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000862795360 730732949 /nfs/dbraw/zinc/73/29/49/730732949.db2.gz KDCZZUBKXQOWIG-GFCCVEGCSA-N 1 1 285.388 1.670 20 5 CDBDMO C[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876915 730862616 /nfs/dbraw/zinc/86/26/16/730862616.db2.gz FJHMMRLWVAEAHJ-CYBMUJFWSA-N 1 1 295.295 1.850 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792876915 730862617 /nfs/dbraw/zinc/86/26/17/730862617.db2.gz FJHMMRLWVAEAHJ-CYBMUJFWSA-N 1 1 295.295 1.850 20 5 CDBDMO CCCCN(C)C(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929291655 731057034 /nfs/dbraw/zinc/05/70/34/731057034.db2.gz UZPPFVLTFUGQHE-UHFFFAOYSA-N 1 1 271.361 1.234 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000853390249 731230253 /nfs/dbraw/zinc/23/02/53/731230253.db2.gz RCTMXRNNEMXASY-VIFPVBQESA-N 1 1 284.747 1.961 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000930487930 731382500 /nfs/dbraw/zinc/38/25/00/731382500.db2.gz KPVLPVKHZBOBSC-LLVKDONJSA-N 1 1 258.705 1.630 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787202411 731457092 /nfs/dbraw/zinc/45/70/92/731457092.db2.gz KSDWNDHOSZGQLI-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787202411 731457096 /nfs/dbraw/zinc/45/70/96/731457096.db2.gz KSDWNDHOSZGQLI-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO Nc1ccc(-c2noc(C[NH2+]C3CC3)n2)cc1[N+](=O)[O-] ZINC000843169308 731547253 /nfs/dbraw/zinc/54/72/53/731547253.db2.gz AWGHYPGUEFBYHN-UHFFFAOYSA-N 1 1 275.268 1.479 20 5 CDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000931178517 731820547 /nfs/dbraw/zinc/82/05/47/731820547.db2.gz UPPGYEPTQZJGFG-QWRGUYRKSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000931178517 731820549 /nfs/dbraw/zinc/82/05/49/731820549.db2.gz UPPGYEPTQZJGFG-QWRGUYRKSA-N 1 1 272.345 1.563 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135590 731838195 /nfs/dbraw/zinc/83/81/95/731838195.db2.gz PIRMYQCOLVWKAS-HZSPNIEDSA-N 1 1 289.335 1.519 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719068235 731867839 /nfs/dbraw/zinc/86/78/39/731867839.db2.gz SPECZJCPRQXMGP-GFCCVEGCSA-N 1 1 278.308 1.790 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000831728748 731954437 /nfs/dbraw/zinc/95/44/37/731954437.db2.gz KOSIVBCPLHICSE-RISCZKNCSA-N 1 1 279.315 1.870 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000872772670 732019437 /nfs/dbraw/zinc/01/94/37/732019437.db2.gz YNOFYMZHQMPPIP-GFCCVEGCSA-N 1 1 294.355 1.821 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000872772670 732019444 /nfs/dbraw/zinc/01/94/44/732019444.db2.gz YNOFYMZHQMPPIP-GFCCVEGCSA-N 1 1 294.355 1.821 20 5 CDBDMO [NH3+]CC[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886838137 732165965 /nfs/dbraw/zinc/16/59/65/732165965.db2.gz RPRMMNALGSOKIW-LLVKDONJSA-N 1 1 264.329 1.551 20 5 CDBDMO COC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229191003 732458450 /nfs/dbraw/zinc/45/84/50/732458450.db2.gz UAIRCXOMUHKBNA-SNVBAGLBSA-N 1 1 274.704 1.345 20 5 CDBDMO NC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000851847049 732587853 /nfs/dbraw/zinc/58/78/53/732587853.db2.gz OKWCEIJJSPPQJA-UHFFFAOYSA-N 1 1 281.287 1.622 20 5 CDBDMO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000882402833 732735187 /nfs/dbraw/zinc/73/51/87/732735187.db2.gz XMHAZYLTFULUNB-DTORHVGOSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000882402833 732735193 /nfs/dbraw/zinc/73/51/93/732735193.db2.gz XMHAZYLTFULUNB-DTORHVGOSA-N 1 1 268.292 1.658 20 5 CDBDMO CC(C)(C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000171951688 732953213 /nfs/dbraw/zinc/95/32/13/732953213.db2.gz OLUGVFLEKHHVCP-LLVKDONJSA-N 1 1 283.303 1.724 20 5 CDBDMO C[C@@H](c1cccnc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791052385 733012705 /nfs/dbraw/zinc/01/27/05/733012705.db2.gz MQHWFMRIKQKXLA-LBPRGKRZSA-N 1 1 264.329 1.037 20 5 CDBDMO C[NH+](C)CC(C)(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839094136 733054142 /nfs/dbraw/zinc/05/41/42/733054142.db2.gz RKNGTLMFOSMJTN-CYBMUJFWSA-N 1 1 281.356 1.558 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC001173221184 912304518 /nfs/dbraw/zinc/30/45/18/912304518.db2.gz GDTGCFAUWCUNCL-SMDDNHRTSA-N 1 1 264.325 1.983 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)COC2)nc1 ZINC001168441634 913165220 /nfs/dbraw/zinc/16/52/20/913165220.db2.gz AONBPJURHQFUHW-UHFFFAOYSA-N 1 1 278.312 1.267 20 5 CDBDMO COc1ccc(NCc2ccc(N)[nH+]c2C)nc1[N+](=O)[O-] ZINC001167780750 900507909 /nfs/dbraw/zinc/50/79/09/900507909.db2.gz ABROIUJKCVRZDX-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO CN(C)CCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979856 927567225 /nfs/dbraw/zinc/56/72/25/927567225.db2.gz BKSFQHYNARWKMH-RYUDHWBXSA-N 1 1 257.378 1.752 20 5 CDBDMO CN(C)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979257 927569377 /nfs/dbraw/zinc/56/93/77/927569377.db2.gz XYPJFUVFDWTWRV-NEPJUHHUSA-N 1 1 257.378 1.609 20 5 CDBDMO COC(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974615 927596686 /nfs/dbraw/zinc/59/66/86/927596686.db2.gz RIHMJJCZDWQVKG-VWYCJHECSA-N 1 1 290.385 1.316 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@](O)(CF)[C@@H](F)C2)C1 ZINC001169011553 927616199 /nfs/dbraw/zinc/61/61/99/927616199.db2.gz KWLYGGYVEKXIGK-USZNOCQGSA-N 1 1 278.299 1.176 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]1(C)O ZINC001169012223 927618239 /nfs/dbraw/zinc/61/82/39/927618239.db2.gz OTGZWAHFLOLANB-SYQHCUMBSA-N 1 1 270.373 1.915 20 5 CDBDMO COC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013109 927620383 /nfs/dbraw/zinc/62/03/83/927620383.db2.gz TZWMYADQQYVCQV-UTUOFQBUSA-N 1 1 270.329 1.459 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035985 927644605 /nfs/dbraw/zinc/64/46/05/927644605.db2.gz DZYZEOSMWPANCU-GRYCIOLGSA-N 1 1 270.329 1.459 20 5 CDBDMO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037698 927646194 /nfs/dbraw/zinc/64/61/94/927646194.db2.gz SWITWOLAJCSDHV-UPJWGTAASA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037050 927648329 /nfs/dbraw/zinc/64/83/29/927648329.db2.gz IDQHMOIOSRAXHB-SRVKXCTJSA-N 1 1 289.326 1.457 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038416 927650138 /nfs/dbraw/zinc/65/01/38/927650138.db2.gz YSNZHVISCVJGSO-RNJOBUHISA-N 1 1 255.362 1.456 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC001169039960 927652697 /nfs/dbraw/zinc/65/26/97/927652697.db2.gz WIYCIXAMTRRQCQ-MGPQQGTHSA-N 1 1 268.357 1.934 20 5 CDBDMO C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017563 927657614 /nfs/dbraw/zinc/65/76/14/927657614.db2.gz APZQGAYIWKUPQW-HTVCTNPSSA-N 1 1 268.357 1.931 20 5 CDBDMO CCN1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024819 927663612 /nfs/dbraw/zinc/66/36/12/927663612.db2.gz RAYVDGHUDXGOFW-LXTVHRRPSA-N 1 1 297.399 1.084 20 5 CDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581266 927754956 /nfs/dbraw/zinc/75/49/56/927754956.db2.gz GIAJPMIESNXSQR-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1c(Cl)nccc1[N+](=O)[O-] ZINC001170898277 930695141 /nfs/dbraw/zinc/69/51/41/930695141.db2.gz RQEDAXKMHRIWQE-SSDOTTSWSA-N 1 1 259.697 1.079 20 5 CDBDMO C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929099355 933203674 /nfs/dbraw/zinc/20/36/74/933203674.db2.gz GGTRFBUECVZPAX-KGLIPLIRSA-N 1 1 289.335 1.472 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CC=CC1 ZINC001119039948 937690112 /nfs/dbraw/zinc/69/01/12/937690112.db2.gz GDHRFZFFKVWRDK-UHFFFAOYSA-N 1 1 289.335 1.813 20 5 CDBDMO N=C(NCCCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001157094484 938453634 /nfs/dbraw/zinc/45/36/34/938453634.db2.gz QXNJCUZHGSLCIA-UHFFFAOYSA-N 1 1 286.723 1.318 20 5 CDBDMO Cc1ccnc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259687 938470281 /nfs/dbraw/zinc/47/02/81/938470281.db2.gz FJPFYHBNHUGPHO-NWDGAFQWSA-N 1 1 276.340 1.829 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336396 939027299 /nfs/dbraw/zinc/02/72/99/939027299.db2.gz ATBMEGUYJZTHLA-GFCCVEGCSA-N 1 1 265.317 1.468 20 5 CDBDMO COc1nc(N2CC[N@@H+](C(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001165199150 939522477 /nfs/dbraw/zinc/52/24/77/939522477.db2.gz JXCAKBRNACKNRQ-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1(C)COC1 ZINC001166985993 939667612 /nfs/dbraw/zinc/66/76/12/939667612.db2.gz SWBRMZRQNHIYIU-AATRIKPKSA-N 1 1 292.339 1.747 20 5 CDBDMO CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230044 939839615 /nfs/dbraw/zinc/83/96/15/939839615.db2.gz MFTSYYVZGGWBMX-ZIAGYGMSSA-N 1 1 295.383 1.446 20 5 CDBDMO COC(=O)c1cc(CO[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689430 941691476 /nfs/dbraw/zinc/69/14/76/941691476.db2.gz ZWKSBPMVSBGMCS-CYBMUJFWSA-N 1 1 294.307 1.602 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1CCCC[N@H+]1C ZINC001224702559 941784207 /nfs/dbraw/zinc/78/42/07/941784207.db2.gz NLOVCUCUCQFITQ-AAEUAGOBSA-N 1 1 296.371 1.989 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001227047824 942120034 /nfs/dbraw/zinc/12/00/34/942120034.db2.gz XNCVLOOACYCAJF-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1ccc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC001227222969 942152308 /nfs/dbraw/zinc/15/23/08/942152308.db2.gz YOZZDTFAIGWQDL-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227741917 942215669 /nfs/dbraw/zinc/21/56/69/942215669.db2.gz SWXJLDZSUZWVES-VIFPVBQESA-N 1 1 262.269 1.554 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229914030 942552063 /nfs/dbraw/zinc/55/20/63/942552063.db2.gz ABIVBOQLUSKEFN-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229914030 942552064 /nfs/dbraw/zinc/55/20/64/942552064.db2.gz ABIVBOQLUSKEFN-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO N[C@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465737 947450559 /nfs/dbraw/zinc/45/05/59/947450559.db2.gz JJABSSPVNWUPNE-LBPRGKRZSA-N 1 1 290.367 1.597 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@](F)(CO)C1)C2 ZINC001254596287 947544837 /nfs/dbraw/zinc/54/48/37/947544837.db2.gz CEDSDOVAMHRGAS-UONOGXRCSA-N 1 1 280.299 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](F)(CO)C1)C2 ZINC001254596287 947544846 /nfs/dbraw/zinc/54/48/46/947544846.db2.gz CEDSDOVAMHRGAS-UONOGXRCSA-N 1 1 280.299 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC13COC3)C2 ZINC001254601286 947551308 /nfs/dbraw/zinc/55/13/08/947551308.db2.gz XIUOPIRPVWTYMH-AWEZNQCLSA-N 1 1 274.320 1.927 20 5 CDBDMO CC[N@H+](C)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248143845 948952283 /nfs/dbraw/zinc/95/22/83/948952283.db2.gz PPARWJBZIHWQRN-UHFFFAOYSA-N 1 1 281.247 1.631 20 5 CDBDMO CC[N@@H+](C)Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248143845 948952294 /nfs/dbraw/zinc/95/22/94/948952294.db2.gz PPARWJBZIHWQRN-UHFFFAOYSA-N 1 1 281.247 1.631 20 5 CDBDMO C[N@@H+](C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001323866042 961012480 /nfs/dbraw/zinc/01/24/80/961012480.db2.gz OCUXBVSGISVBTB-OAHLLOKOSA-N 1 1 291.351 1.366 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001349863702 966503424 /nfs/dbraw/zinc/50/34/24/966503424.db2.gz NUHSFRUWOOHFHE-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCCC2)c1 ZINC000589494665 342507851 /nfs/dbraw/zinc/50/78/51/342507851.db2.gz XKHHUBMDVCAXFK-UHFFFAOYSA-N 1 1 264.281 1.977 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1CC[C@H](O)C1)CCN2 ZINC000599198962 343979080 /nfs/dbraw/zinc/97/90/80/343979080.db2.gz CQHHBPYPLHHFJL-JTQLQIEISA-N 1 1 292.339 1.041 20 5 CDBDMO C[N@@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000072722477 342559812 /nfs/dbraw/zinc/55/98/12/342559812.db2.gz MAEIHYFJQLXGJQ-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO CC[N@@H+](CCSC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000592203964 342677190 /nfs/dbraw/zinc/67/71/90/342677190.db2.gz QERDDOMHCYDPSK-UHFFFAOYSA-N 1 1 285.369 1.441 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](CC)CO1 ZINC000593057272 342760254 /nfs/dbraw/zinc/76/02/54/342760254.db2.gz DYXWHSGLPLBFOY-VXGBXAGGSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](CC)CO1 ZINC000593057272 342760256 /nfs/dbraw/zinc/76/02/56/342760256.db2.gz DYXWHSGLPLBFOY-VXGBXAGGSA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593109220 342769170 /nfs/dbraw/zinc/76/91/70/342769170.db2.gz XDQLDBMHIZWCMG-VIFPVBQESA-N 1 1 278.312 1.674 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC[C@H]2O)c(Cl)c1 ZINC000323147952 342818588 /nfs/dbraw/zinc/81/85/88/342818588.db2.gz DPNSNERFHLQPHJ-WDEREUQCSA-N 1 1 272.688 1.098 20 5 CDBDMO C[C@H](O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053751 342873019 /nfs/dbraw/zinc/87/30/19/342873019.db2.gz AHFYSZKYAQIOJD-NSHDSACASA-N 1 1 280.324 1.819 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382839 342264302 /nfs/dbraw/zinc/26/43/02/342264302.db2.gz FJVKZBASSPECDO-ZDUSSCGKSA-N 1 1 289.335 1.809 20 5 CDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581372 282201378 /nfs/dbraw/zinc/20/13/78/282201378.db2.gz IEMKWSIDXXNPGV-LLVKDONJSA-N 1 1 290.327 1.014 20 5 CDBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300957 343028446 /nfs/dbraw/zinc/02/84/46/343028446.db2.gz GSHAWFVBLMDOLE-SNVBAGLBSA-N 1 1 297.311 1.809 20 5 CDBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300957 343028448 /nfs/dbraw/zinc/02/84/48/343028448.db2.gz GSHAWFVBLMDOLE-SNVBAGLBSA-N 1 1 297.311 1.809 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296105 343026651 /nfs/dbraw/zinc/02/66/51/343026651.db2.gz IMUMOYQOYCNNPZ-VIFPVBQESA-N 1 1 284.287 1.975 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595427727 343057479 /nfs/dbraw/zinc/05/74/79/343057479.db2.gz BTUMNGFKWIWXHF-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595476656 343064313 /nfs/dbraw/zinc/06/43/13/343064313.db2.gz SOGQWKHOKCSTKU-AWEZNQCLSA-N 1 1 295.314 1.692 20 5 CDBDMO CO[C@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468121 343072118 /nfs/dbraw/zinc/07/21/18/343072118.db2.gz JGVFSXRDTIHAGD-GFCCVEGCSA-N 1 1 269.301 1.892 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468121 343072120 /nfs/dbraw/zinc/07/21/20/343072120.db2.gz JGVFSXRDTIHAGD-GFCCVEGCSA-N 1 1 269.301 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595549924 343085581 /nfs/dbraw/zinc/08/55/81/343085581.db2.gz GAABKKYCSVNZAE-WCBMZHEXSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595549924 343085583 /nfs/dbraw/zinc/08/55/83/343085583.db2.gz GAABKKYCSVNZAE-WCBMZHEXSA-N 1 1 269.301 1.342 20 5 CDBDMO COC[C@]1(CO)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595529446 343090162 /nfs/dbraw/zinc/09/01/62/343090162.db2.gz XFPMVRJBJPTQDP-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595529446 343090163 /nfs/dbraw/zinc/09/01/63/343090163.db2.gz XFPMVRJBJPTQDP-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079410583 342344165 /nfs/dbraw/zinc/34/41/65/342344165.db2.gz JURBJQPWBXHVFC-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO Cc1c(C[N@H+]2CCC(=O)N(C)CC2)cccc1[N+](=O)[O-] ZINC000595781338 343154182 /nfs/dbraw/zinc/15/41/82/343154182.db2.gz FZEJYWKPRNBSSJ-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC1(C)C ZINC000595910229 343189255 /nfs/dbraw/zinc/18/92/55/343189255.db2.gz RXNOONWYBIVWEC-LLVKDONJSA-N 1 1 279.340 1.734 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176936 343261153 /nfs/dbraw/zinc/26/11/53/343261153.db2.gz ACJOYNVYRXTHFR-UWVGGRQHSA-N 1 1 292.339 1.223 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176929 343261366 /nfs/dbraw/zinc/26/13/66/343261366.db2.gz LBFUPMXVDNGUFR-UWVGGRQHSA-N 1 1 279.344 1.491 20 5 CDBDMO CC[NH+](CC)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000600970707 342377534 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265.313 1.395 20 5 CDBDMO Cc1cnc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420637559 244303429 /nfs/dbraw/zinc/30/34/29/244303429.db2.gz OYJLVAAVVQIXKK-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO Cc1cc(N(C)C[C@@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000420643899 244307197 /nfs/dbraw/zinc/30/71/97/244307197.db2.gz XSTBAFMQDIRHNK-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000330839763 203299589 /nfs/dbraw/zinc/29/95/89/203299589.db2.gz VWRBGUMFMWRAQV-CYBMUJFWSA-N 1 1 266.297 1.178 20 5 CDBDMO CCC[C@@]1(CO)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367982005 371269151 /nfs/dbraw/zinc/26/91/51/371269151.db2.gz GRNQFCLXRDUCSY-CYBMUJFWSA-N 1 1 282.344 1.313 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367982005 371269154 /nfs/dbraw/zinc/26/91/54/371269154.db2.gz GRNQFCLXRDUCSY-CYBMUJFWSA-N 1 1 282.344 1.313 20 5 CDBDMO C[N@H+]1CCCC12CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000368204906 371908357 /nfs/dbraw/zinc/90/83/57/371908357.db2.gz XBDJQGQZLULJHP-UHFFFAOYSA-N 1 1 293.327 1.018 20 5 CDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000121816632 373236761 /nfs/dbraw/zinc/23/67/61/373236761.db2.gz ZHQKZLDGXUJAGT-ONGXEEELSA-N 1 1 295.364 1.743 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504277 373739704 /nfs/dbraw/zinc/73/97/04/373739704.db2.gz ZPSVIMPUKJPRQN-VIFPVBQESA-N 1 1 295.364 1.870 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000051916398 374043593 /nfs/dbraw/zinc/04/35/93/374043593.db2.gz SFMZGTAFPVHWTF-LBPRGKRZSA-N 1 1 282.344 1.194 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000298725381 374082508 /nfs/dbraw/zinc/08/25/08/374082508.db2.gz MMYDMEZHHSLMSL-ZJUUUORDSA-N 1 1 294.359 1.499 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369429793 374353498 /nfs/dbraw/zinc/35/34/98/374353498.db2.gz WZSCQBSKVYXFGN-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356882704 374420167 /nfs/dbraw/zinc/42/01/67/374420167.db2.gz PTENCNJWVOAYHV-NEPJUHHUSA-N 1 1 291.351 1.688 20 5 CDBDMO CC[N@@H+](CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139650 374438841 /nfs/dbraw/zinc/43/88/41/374438841.db2.gz SBSARHAFWNNYGO-CYBMUJFWSA-N 1 1 298.339 1.303 20 5 CDBDMO Nc1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184916 374542723 /nfs/dbraw/zinc/54/27/23/374542723.db2.gz CSMXNPHGDDHVBG-RYUDHWBXSA-N 1 1 292.339 1.452 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577720 374598142 /nfs/dbraw/zinc/59/81/42/374598142.db2.gz GICFPEYMBWNJFB-NTZNESFSSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351949828 374697313 /nfs/dbraw/zinc/69/73/13/374697313.db2.gz APIKWQQAZHENCO-CMPLNLGQSA-N 1 1 266.297 1.286 20 5 CDBDMO Cc1ccnc(NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000070495913 374663876 /nfs/dbraw/zinc/66/38/76/374663876.db2.gz VFRBZVRRVXVVFP-SNVBAGLBSA-N 1 1 250.302 1.662 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1F ZINC000094774329 374846941 /nfs/dbraw/zinc/84/69/41/374846941.db2.gz NZLIAMKIMOOJAJ-NSHDSACASA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1F ZINC000094774329 374846942 /nfs/dbraw/zinc/84/69/42/374846942.db2.gz NZLIAMKIMOOJAJ-NSHDSACASA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1F ZINC000094775831 374847477 /nfs/dbraw/zinc/84/74/77/374847477.db2.gz AFADNTGVCRBRJY-JTQLQIEISA-N 1 1 254.261 1.548 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280499964 374998622 /nfs/dbraw/zinc/99/86/22/374998622.db2.gz BEGSICNMDYITMI-AWEZNQCLSA-N 1 1 295.314 1.692 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000049096380 375401619 /nfs/dbraw/zinc/40/16/19/375401619.db2.gz RYDJJGAOGROMDM-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000354423223 375708060 /nfs/dbraw/zinc/70/80/60/375708060.db2.gz IGLLLUCMSPBQHK-QWRGUYRKSA-N 1 1 294.355 1.868 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354601895 375731012 /nfs/dbraw/zinc/73/10/12/375731012.db2.gz WHOLDMWNQRPCDE-MNOVXSKESA-N 1 1 279.344 1.694 20 5 CDBDMO C[C@]1(F)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383173 376062685 /nfs/dbraw/zinc/06/26/85/376062685.db2.gz OFKAHZDIHSHNLG-JSGCOSHPSA-N 1 1 298.314 1.768 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839404 377464103 /nfs/dbraw/zinc/46/41/03/377464103.db2.gz LOKLGSLAZDLRPQ-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000056508223 378510345 /nfs/dbraw/zinc/51/03/45/378510345.db2.gz IJDMWQDUISQBRT-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266930928 378742517 /nfs/dbraw/zinc/74/25/17/378742517.db2.gz SODVPAFNYOJMQS-UHFFFAOYSA-N 1 1 297.742 1.946 20 5 CDBDMO CCOCC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444642262 250157802 /nfs/dbraw/zinc/15/78/02/250157802.db2.gz STZAGFOPTOHBGE-HNNXBMFYSA-N 1 1 294.351 1.740 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444658401 250160065 /nfs/dbraw/zinc/16/00/65/250160065.db2.gz FXVLQZZLLIYZHQ-NOZJJQNGSA-N 1 1 290.323 1.674 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444658401 250160066 /nfs/dbraw/zinc/16/00/66/250160066.db2.gz FXVLQZZLLIYZHQ-NOZJJQNGSA-N 1 1 290.323 1.674 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000174648144 379548053 /nfs/dbraw/zinc/54/80/53/379548053.db2.gz PRNHOCOUXOHYMG-UHFFFAOYSA-N 1 1 297.359 1.098 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792568 379578794 /nfs/dbraw/zinc/57/87/94/379578794.db2.gz OIPHJRQRNDDVMZ-AAEUAGOBSA-N 1 1 298.339 1.037 20 5 CDBDMO CCC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557890 251338895 /nfs/dbraw/zinc/33/88/95/251338895.db2.gz BZAICDLEPHMVPN-DGCLKSJQSA-N 1 1 294.355 1.637 20 5 CDBDMO O=C1N[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281371226 195213854 /nfs/dbraw/zinc/21/38/54/195213854.db2.gz VPXOKKZJKQZIIY-YPMHNXCESA-N 1 1 291.307 1.525 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000451630161 390636137 /nfs/dbraw/zinc/63/61/37/390636137.db2.gz LMIYYGYQRVMTRL-YGRLFVJLSA-N 1 1 279.315 1.870 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697208 390657189 /nfs/dbraw/zinc/65/71/89/390657189.db2.gz ZITHOMGMYAJJLS-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697208 390657194 /nfs/dbraw/zinc/65/71/94/390657194.db2.gz ZITHOMGMYAJJLS-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477759 390799541 /nfs/dbraw/zinc/79/95/41/390799541.db2.gz IKZDDDVTHUIHPB-NXEZZACHSA-N 1 1 281.360 1.785 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172020568 390923802 /nfs/dbraw/zinc/92/38/02/390923802.db2.gz KPDUQAOIMMJRMJ-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CN1CCC([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000303986213 391085205 /nfs/dbraw/zinc/08/52/05/391085205.db2.gz IPZGWNUODRQVSK-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000413432003 391214194 /nfs/dbraw/zinc/21/41/94/391214194.db2.gz BQUHKWLTTOLRBB-LBPRGKRZSA-N 1 1 278.356 1.864 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348174230 391802007 /nfs/dbraw/zinc/80/20/07/391802007.db2.gz BLURBRJURIHHLS-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO NC(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091937 392621310 /nfs/dbraw/zinc/62/13/10/392621310.db2.gz QCERHSJPMQSJAW-JTQLQIEISA-N 1 1 290.323 1.342 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177014 132125061 /nfs/dbraw/zinc/12/50/61/132125061.db2.gz ISQZXKIEJCULGQ-JQWIXIFHSA-N 1 1 292.339 1.479 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000430210181 393092443 /nfs/dbraw/zinc/09/24/43/393092443.db2.gz CPXBIYRSINNROB-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CN ZINC000430969448 393107017 /nfs/dbraw/zinc/10/70/17/393107017.db2.gz CYVQLLYISXFTSW-LLVKDONJSA-N 1 1 294.355 1.511 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CN ZINC000430969448 393107025 /nfs/dbraw/zinc/10/70/25/393107025.db2.gz CYVQLLYISXFTSW-LLVKDONJSA-N 1 1 294.355 1.511 20 5 CDBDMO CCN1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1=O ZINC000391516720 393150250 /nfs/dbraw/zinc/15/02/50/393150250.db2.gz AGOYZFNUULBNNP-VIFPVBQESA-N 1 1 269.326 1.367 20 5 CDBDMO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487875113 393282523 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CC(C)C[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892894087 733915340 /nfs/dbraw/zinc/91/53/40/733915340.db2.gz SZWUNHUSKRIQIG-LLVKDONJSA-N 1 1 281.360 1.718 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000882478656 734019462 /nfs/dbraw/zinc/01/94/62/734019462.db2.gz AFFKECBRWSCZHU-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586727 734089417 /nfs/dbraw/zinc/08/94/17/734089417.db2.gz OZUHBSJKSZEWJJ-GFCCVEGCSA-N 1 1 295.339 1.214 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000300096349 734115778 /nfs/dbraw/zinc/11/57/78/734115778.db2.gz MLVCZQUFSBBLGF-SNVBAGLBSA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000300096349 734115782 /nfs/dbraw/zinc/11/57/82/734115782.db2.gz MLVCZQUFSBBLGF-SNVBAGLBSA-N 1 1 254.261 1.955 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC1 ZINC000843836706 734208508 /nfs/dbraw/zinc/20/85/08/734208508.db2.gz 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734327498 /nfs/dbraw/zinc/32/74/98/734327498.db2.gz QOUMNMKNOALUSZ-QMMMGPOBSA-N 1 1 253.306 1.007 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000877535554 734333400 /nfs/dbraw/zinc/33/34/00/734333400.db2.gz PVOYXIWUCBDDEO-GFCCVEGCSA-N 1 1 291.351 1.909 20 5 CDBDMO Nc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000842026079 734549677 /nfs/dbraw/zinc/54/96/77/734549677.db2.gz FLRYQDGVQMMPOU-TXEJJXNPSA-N 1 1 293.323 1.419 20 5 CDBDMO Nc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000842026079 734549684 /nfs/dbraw/zinc/54/96/84/734549684.db2.gz FLRYQDGVQMMPOU-TXEJJXNPSA-N 1 1 293.323 1.419 20 5 CDBDMO CC[C@H]([NH2+]C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854157134 734692784 /nfs/dbraw/zinc/69/27/84/734692784.db2.gz CJXQAIDXSUHHNZ-QMMMGPOBSA-N 1 1 256.306 1.728 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008306 734754167 /nfs/dbraw/zinc/75/41/67/734754167.db2.gz WIRSYPYQWGCLSK-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008306 734754173 /nfs/dbraw/zinc/75/41/73/734754173.db2.gz WIRSYPYQWGCLSK-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808774963 734777610 /nfs/dbraw/zinc/77/76/10/734777610.db2.gz HSSRNIBXMJJWFO-SECBINFHSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702622005 734832574 /nfs/dbraw/zinc/83/25/74/734832574.db2.gz DQRSCIQPLOJRHM-GFCCVEGCSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000880299822 734849701 /nfs/dbraw/zinc/84/97/01/734849701.db2.gz YBJWMKFJJXBESF-VXGBXAGGSA-N 1 1 298.314 1.626 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861454 734862307 /nfs/dbraw/zinc/86/23/07/734862307.db2.gz IXUKYMIFTCHEDL-GLQYFDAESA-N 1 1 294.351 1.864 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@H](C)C1 ZINC000797518347 735005204 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CC(C)[N@H+](CCOCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886194783 735234145 /nfs/dbraw/zinc/23/41/45/735234145.db2.gz ZITQXEWHENHVSO-UHFFFAOYSA-N 1 1 283.328 1.209 20 5 CDBDMO CC(C)[N@@H+](CCOCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886194783 735234148 /nfs/dbraw/zinc/23/41/48/735234148.db2.gz ZITQXEWHENHVSO-UHFFFAOYSA-N 1 1 283.328 1.209 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582895 735234655 /nfs/dbraw/zinc/23/46/55/735234655.db2.gz WDSGAUGDFHLAFE-BXUZGUMPSA-N 1 1 280.324 1.739 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000114009600 735819751 /nfs/dbraw/zinc/81/97/51/735819751.db2.gz NEQIQOUTPBAEPQ-OAHLLOKOSA-N 1 1 291.351 1.896 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702064 912993294 /nfs/dbraw/zinc/99/32/94/912993294.db2.gz KCAQOSKWBSUIMR-VIFPVBQESA-N 1 1 267.241 1.586 20 5 CDBDMO COc1ccc(Nc2c[nH+]ncc2N)cc1[N+](=O)[O-] ZINC001176361322 914085003 /nfs/dbraw/zinc/08/50/03/914085003.db2.gz YMYBNUPAAGXTOC-UHFFFAOYSA-N 1 1 261.241 1.719 20 5 CDBDMO N=C(NCCCC[NH3+])Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001167877858 901594483 /nfs/dbraw/zinc/59/44/83/901594483.db2.gz FKPYHWBFEKBAHD-UHFFFAOYSA-N 1 1 286.723 1.318 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncccc2[N+](=O)[O-])C1 ZINC001225598963 903220476 /nfs/dbraw/zinc/22/04/76/903220476.db2.gz ZTVNZVRDBOAXTC-SNVBAGLBSA-N 1 1 267.285 1.089 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC000710629444 903346104 /nfs/dbraw/zinc/34/61/04/903346104.db2.gz BMRTUWBFSSWTGM-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@@H+]1CCc2c(NCC3COC3)ccc([N+](=O)[O-])c2C1 ZINC001161951478 921817711 /nfs/dbraw/zinc/81/77/11/921817711.db2.gz RGBZWSBLHSZAFU-UHFFFAOYSA-N 1 1 277.324 1.641 20 5 CDBDMO C[N@H+]1CCc2c(NCC3COC3)ccc([N+](=O)[O-])c2C1 ZINC001161951478 921817720 /nfs/dbraw/zinc/81/77/20/921817720.db2.gz RGBZWSBLHSZAFU-UHFFFAOYSA-N 1 1 277.324 1.641 20 5 CDBDMO COC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168970728 927593638 /nfs/dbraw/zinc/59/36/38/927593638.db2.gz ISGPTWFAOXDUCN-WDEREUQCSA-N 1 1 270.329 1.507 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168973882 927595951 /nfs/dbraw/zinc/59/59/51/927595951.db2.gz PIDWXEYVVKDVLJ-SRVKXCTJSA-N 1 1 272.345 1.609 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169009975 927614732 /nfs/dbraw/zinc/61/47/32/927614732.db2.gz ABMRAKAAUYSVBX-XQHKEYJVSA-N 1 1 256.346 1.525 20 5 CDBDMO CC[N@@H+](CCN1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033214 927642633 /nfs/dbraw/zinc/64/26/33/927642633.db2.gz BKLITNBGMOBDRG-KBPBESRZSA-N 1 1 269.389 1.850 20 5 CDBDMO Cc1noc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035140 927645179 /nfs/dbraw/zinc/64/51/79/927645179.db2.gz AKVBAGDKFPZFKD-UTUOFQBUSA-N 1 1 280.328 1.613 20 5 CDBDMO CCC[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036674 927648001 /nfs/dbraw/zinc/64/80/01/927648001.db2.gz PODAJCIGOSNQHQ-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001169025470 927664216 /nfs/dbraw/zinc/66/42/16/927664216.db2.gz JGDRMUSJRLIXKV-RDBSUJKOSA-N 1 1 267.373 1.602 20 5 CDBDMO O=c1[nH]ccc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047434 927666912 /nfs/dbraw/zinc/66/69/12/927666912.db2.gz QYNWVVXVAMLBKS-ZYHUDNBSSA-N 1 1 277.324 1.591 20 5 CDBDMO CN1C(=O)CC[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050616 927668282 /nfs/dbraw/zinc/66/82/82/927668282.db2.gz BYIVNGXZLGEHDF-ZOBORPQBSA-N 1 1 295.383 1.375 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169052498 927669312 /nfs/dbraw/zinc/66/93/12/927669312.db2.gz GGJKJQQHOUOVLM-YNEHKIRRSA-N 1 1 284.356 1.707 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056310 927672457 /nfs/dbraw/zinc/67/24/57/927672457.db2.gz RMRREIQJSBPDFQ-VOAKCMCISA-N 1 1 253.346 1.210 20 5 CDBDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056310 927672461 /nfs/dbraw/zinc/67/24/61/927672461.db2.gz RMRREIQJSBPDFQ-VOAKCMCISA-N 1 1 253.346 1.210 20 5 CDBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056310 927672465 /nfs/dbraw/zinc/67/24/65/927672465.db2.gz RMRREIQJSBPDFQ-VOAKCMCISA-N 1 1 253.346 1.210 20 5 CDBDMO COc1nc(NCc2ccc(N)[nH+]c2C)ccc1[N+](=O)[O-] ZINC001156974304 929088818 /nfs/dbraw/zinc/08/88/18/929088818.db2.gz HEILCHIKIBZEIP-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO CCOC(=O)c1cc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170905068 930719630 /nfs/dbraw/zinc/71/96/30/930719630.db2.gz QWTLPJLFKXSVAX-GFCCVEGCSA-N 1 1 296.327 1.207 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886816539 930966106 /nfs/dbraw/zinc/96/61/06/930966106.db2.gz VKDSAJRQFOYIMJ-YPMHNXCESA-N 1 1 277.324 1.991 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC001157931582 938565306 /nfs/dbraw/zinc/56/53/06/938565306.db2.gz UCJDJKUFOPQADO-UHFFFAOYSA-N 1 1 296.290 1.696 20 5 CDBDMO COc1cnc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158494631 938629754 /nfs/dbraw/zinc/62/97/54/938629754.db2.gz NBCJBNQHCSOBEY-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001160161299 938772515 /nfs/dbraw/zinc/77/25/15/938772515.db2.gz XLDOUFVLSTWWBN-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO COC(=O)c1c(CO[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223293403 941667923 /nfs/dbraw/zinc/66/79/23/941667923.db2.gz OAYJDEFKAPWICT-NSHDSACASA-N 1 1 294.307 1.602 20 5 CDBDMO CC[NH+]1CC(OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224777530 941791247 /nfs/dbraw/zinc/79/12/47/941791247.db2.gz ZBNAOMXBRHYVMI-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3F)[C@H]1CC(=O)C2 ZINC001225941250 941931869 /nfs/dbraw/zinc/93/18/69/941931869.db2.gz FKDKDAMJBRHKHN-MRCXROJRSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3F)[C@H]1CC(=O)C2 ZINC001225941250 941931871 /nfs/dbraw/zinc/93/18/71/941931871.db2.gz FKDKDAMJBRHKHN-MRCXROJRSA-N 1 1 294.282 1.917 20 5 CDBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226167451 941961278 /nfs/dbraw/zinc/96/12/78/941961278.db2.gz JQMQXCJQJKCWCM-UHFFFAOYSA-N 1 1 293.323 1.555 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226409177 941999193 /nfs/dbraw/zinc/99/91/93/941999193.db2.gz QOBPAAZSAAYVJE-SECBINFHSA-O 1 1 280.323 1.948 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001227045580 942120334 /nfs/dbraw/zinc/12/03/34/942120334.db2.gz XNCVLOOACYCAJF-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)n1 ZINC001231259487 942834649 /nfs/dbraw/zinc/83/46/49/942834649.db2.gz MUGUIPFBNJKOSO-QMMMGPOBSA-N 1 1 253.258 1.087 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)n1 ZINC001231259487 942834654 /nfs/dbraw/zinc/83/46/54/942834654.db2.gz MUGUIPFBNJKOSO-QMMMGPOBSA-N 1 1 253.258 1.087 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001263197535 943783708 /nfs/dbraw/zinc/78/37/08/943783708.db2.gz ZERFSINOVCUQGO-KWQFWETISA-N 1 1 281.337 1.435 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC3(C1)OCCO3)C2 ZINC001254600746 947549574 /nfs/dbraw/zinc/54/95/74/947549574.db2.gz QZVGPJCIYZVEMM-CQSZACIVSA-N 1 1 290.319 1.511 20 5 CDBDMO C[N@@H+](Cc1cnccn1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603997 947552599 /nfs/dbraw/zinc/55/25/99/947552599.db2.gz RTEKSDJTKILBOK-HNNXBMFYSA-N 1 1 284.319 1.984 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001254605697 947553617 /nfs/dbraw/zinc/55/36/17/947553617.db2.gz CQOYWWPOSQCTPA-HUUCEWRRSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CC[C@@H]3C1)C2 ZINC001254605697 947553625 /nfs/dbraw/zinc/55/36/25/947553625.db2.gz CQOYWWPOSQCTPA-HUUCEWRRSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCN3CC[C@@H]3C1)C2 ZINC001254605697 947553632 /nfs/dbraw/zinc/55/36/32/947553632.db2.gz CQOYWWPOSQCTPA-HUUCEWRRSA-N 1 1 273.336 1.452 20 5 CDBDMO C[N@@H+](Cc1cnccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603998 947553832 /nfs/dbraw/zinc/55/38/32/947553832.db2.gz RTEKSDJTKILBOK-OAHLLOKOSA-N 1 1 284.319 1.984 20 5 CDBDMO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246583295 948312182 /nfs/dbraw/zinc/31/21/82/948312182.db2.gz JIPIBINNPPKCSN-BFHYXJOUSA-N 1 1 269.389 1.883 20 5 CDBDMO C[C@]1(CN)CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246583295 948312189 /nfs/dbraw/zinc/31/21/89/948312189.db2.gz JIPIBINNPPKCSN-BFHYXJOUSA-N 1 1 269.389 1.883 20 5 CDBDMO [NH3+][C@]12CC[C@@H]1CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859299 948484621 /nfs/dbraw/zinc/48/46/21/948484621.db2.gz JIMOVCDLYLWLNP-YUELXQCFSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859299 948484627 /nfs/dbraw/zinc/48/46/27/948484627.db2.gz JIMOVCDLYLWLNP-YUELXQCFSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859299 948484630 /nfs/dbraw/zinc/48/46/30/948484630.db2.gz JIMOVCDLYLWLNP-YUELXQCFSA-N 1 1 273.336 1.485 20 5 CDBDMO Cn1nccc1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325252438 953793760 /nfs/dbraw/zinc/79/37/60/953793760.db2.gz XHXVNGVIGKTLMU-UHFFFAOYSA-N 1 1 272.308 1.887 20 5 CDBDMO Cn1nccc1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325252438 953793767 /nfs/dbraw/zinc/79/37/67/953793767.db2.gz XHXVNGVIGKTLMU-UHFFFAOYSA-N 1 1 272.308 1.887 20 5 CDBDMO COC(=O)c1cnc(NCC[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001321838207 959979685 /nfs/dbraw/zinc/97/96/85/959979685.db2.gz JPHNJWKLJFENHP-UHFFFAOYSA-N 1 1 292.295 1.060 20 5 CDBDMO C[C@H](COC(=O)c1ccn(-c2cc[nH+]cc2)n1)[N+](=O)[O-] ZINC001343370465 963962646 /nfs/dbraw/zinc/96/26/46/963962646.db2.gz ABZSAHHIOUKCEB-SECBINFHSA-N 1 1 276.252 1.089 20 5 CDBDMO CCc1nn(C)c(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187123 342489453 /nfs/dbraw/zinc/48/94/53/342489453.db2.gz OQCKFRXBWAQBST-UHFFFAOYSA-N 1 1 281.360 1.421 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601402371 342560009 /nfs/dbraw/zinc/56/00/09/342560009.db2.gz KYBSWKNNSYPFQP-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601402371 342560010 /nfs/dbraw/zinc/56/00/10/342560010.db2.gz KYBSWKNNSYPFQP-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609135566 342091761 /nfs/dbraw/zinc/09/17/61/342091761.db2.gz RDGCHMPQXZGFFI-JTQLQIEISA-N 1 1 295.343 1.229 20 5 CDBDMO C[C@H](N)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000591580687 342637979 /nfs/dbraw/zinc/63/79/79/342637979.db2.gz JVVRLMZWWLWXHB-QWRGUYRKSA-N 1 1 251.330 1.853 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593066278 342761807 /nfs/dbraw/zinc/76/18/07/342761807.db2.gz KBUXZRJGXCSVAW-CHWSQXEVSA-N 1 1 296.323 1.055 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000593107811 342768979 /nfs/dbraw/zinc/76/89/79/342768979.db2.gz OKMGMESUJNBIRV-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)CCO ZINC000593107811 342768980 /nfs/dbraw/zinc/76/89/80/342768980.db2.gz OKMGMESUJNBIRV-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110334 342769728 /nfs/dbraw/zinc/76/97/28/342769728.db2.gz UYPZSKHIQAUUPT-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1cnn([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000290038233 361981703 /nfs/dbraw/zinc/98/17/03/361981703.db2.gz WHKWUWWQFHYDPH-GFCCVEGCSA-N 1 1 290.327 1.243 20 5 CDBDMO COc1cc(C[NH2+][C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000594951146 342982200 /nfs/dbraw/zinc/98/22/00/342982200.db2.gz BORWJFQLHRHEEL-JTQLQIEISA-N 1 1 297.355 1.652 20 5 CDBDMO Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074765005 342304019 /nfs/dbraw/zinc/30/40/19/342304019.db2.gz YDCNSKMOIJJBCC-LLVKDONJSA-N 1 1 294.355 1.678 20 5 CDBDMO Cc1noc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC000595299632 343027934 /nfs/dbraw/zinc/02/79/34/343027934.db2.gz WTRICWWMKKGHFU-JTQLQIEISA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC000595299632 343027935 /nfs/dbraw/zinc/02/79/35/343027935.db2.gz WTRICWWMKKGHFU-JTQLQIEISA-N 1 1 281.312 1.892 20 5 CDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595532284 343090936 /nfs/dbraw/zinc/09/09/36/343090936.db2.gz ARNBRCIIPVXQKV-CMPLNLGQSA-N 1 1 270.260 1.237 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596162996 343256723 /nfs/dbraw/zinc/25/67/23/343256723.db2.gz PXSVGXSYQJZISR-LLVKDONJSA-N 1 1 293.371 1.384 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170207 343258713 /nfs/dbraw/zinc/25/87/13/343258713.db2.gz XYTXTHKKQFDEOK-WDEREUQCSA-N 1 1 292.339 1.616 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432264 343319813 /nfs/dbraw/zinc/31/98/13/343319813.db2.gz RRLWOKIKPGHCSS-VHSXEESVSA-N 1 1 296.327 1.217 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432264 343319814 /nfs/dbraw/zinc/31/98/14/343319814.db2.gz RRLWOKIKPGHCSS-VHSXEESVSA-N 1 1 296.327 1.217 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596436706 343321321 /nfs/dbraw/zinc/32/13/21/343321321.db2.gz PBDQHVCNGFDNCV-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000113541778 342429293 /nfs/dbraw/zinc/42/92/93/342429293.db2.gz HZJUDZCHIQKMQA-UHFFFAOYSA-N 1 1 295.339 1.372 20 5 CDBDMO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175644 343965575 /nfs/dbraw/zinc/96/55/75/343965575.db2.gz GEQLBHUVSYFOIL-SNVBAGLBSA-N 1 1 251.286 1.073 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000085826318 344158342 /nfs/dbraw/zinc/15/83/42/344158342.db2.gz JUPOTLRDSADQNG-UHFFFAOYSA-N 1 1 276.296 1.829 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000601617176 344203694 /nfs/dbraw/zinc/20/36/94/344203694.db2.gz IFXFRAYYQKYITQ-SKDRFNHKSA-N 1 1 293.298 1.510 20 5 CDBDMO COCCC[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602769211 344574262 /nfs/dbraw/zinc/57/42/62/344574262.db2.gz OGMZQRUPQULSIL-UHFFFAOYSA-N 1 1 256.306 1.068 20 5 CDBDMO Cc1c(CN2CC[N@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602714921 344554512 /nfs/dbraw/zinc/55/45/12/344554512.db2.gz KIJHKHFYTKSONO-ZDUSSCGKSA-N 1 1 279.340 1.012 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000602780781 344596560 /nfs/dbraw/zinc/59/65/60/344596560.db2.gz LRRNTNBFVCHLHI-NXEZZACHSA-N 1 1 284.385 1.926 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000602850877 344626772 /nfs/dbraw/zinc/62/67/72/344626772.db2.gz HHOBYGUVKLNNGF-ZDUSSCGKSA-N 1 1 294.355 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000602850877 344626773 /nfs/dbraw/zinc/62/67/73/344626773.db2.gz HHOBYGUVKLNNGF-ZDUSSCGKSA-N 1 1 294.355 1.601 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265674637 362571595 /nfs/dbraw/zinc/57/15/95/362571595.db2.gz YXBCALUAMIKYKU-CYBMUJFWSA-N 1 1 277.324 1.300 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000265845664 362622187 /nfs/dbraw/zinc/62/21/87/362622187.db2.gz UEACBQBOJDVFLC-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO Cc1c(NC(=O)[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000609574135 345814053 /nfs/dbraw/zinc/81/40/53/345814053.db2.gz SKBHTCAWRIKJTQ-JTQLQIEISA-N 1 1 263.297 1.793 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000609594546 345821130 /nfs/dbraw/zinc/82/11/30/345821130.db2.gz JAEAZTJCELLCDX-UHFFFAOYSA-N 1 1 292.339 1.244 20 5 CDBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609984700 346053996 /nfs/dbraw/zinc/05/39/96/346053996.db2.gz XQCGRMMPYYGXLF-CYBMUJFWSA-N 1 1 294.355 1.346 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609984700 346053998 /nfs/dbraw/zinc/05/39/98/346053998.db2.gz XQCGRMMPYYGXLF-CYBMUJFWSA-N 1 1 294.355 1.346 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000610559966 346310433 /nfs/dbraw/zinc/31/04/33/346310433.db2.gz CTDYKWRRMFWIBD-ZDUSSCGKSA-N 1 1 291.351 1.896 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087974 346603309 /nfs/dbraw/zinc/60/33/09/346603309.db2.gz WBKGMUYUAXYSCC-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087974 346603311 /nfs/dbraw/zinc/60/33/11/346603311.db2.gz WBKGMUYUAXYSCC-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCN(CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611101059 346608279 /nfs/dbraw/zinc/60/82/79/346608279.db2.gz XJODXDBJXHBUII-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611101059 346608280 /nfs/dbraw/zinc/60/82/80/346608280.db2.gz XJODXDBJXHBUII-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611101059 346608284 /nfs/dbraw/zinc/60/82/84/346608284.db2.gz XJODXDBJXHBUII-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308607 192107501 /nfs/dbraw/zinc/10/75/01/192107501.db2.gz IFMGZWGBZJDNRI-RYUDHWBXSA-N 1 1 296.323 1.055 20 5 CDBDMO CC1(C)CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829073 348243490 /nfs/dbraw/zinc/24/34/90/348243490.db2.gz DWVUJXLXIOEXSG-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO CC1(C)CN(c2sccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614829073 348243493 /nfs/dbraw/zinc/24/34/93/348243493.db2.gz DWVUJXLXIOEXSG-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000067703044 349033337 /nfs/dbraw/zinc/03/33/37/349033337.db2.gz OHNPBOKZNGCQPA-LLVKDONJSA-N 1 1 289.335 1.870 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2ncccc2[N+](=O)[O-])n1C ZINC000074259708 349208402 /nfs/dbraw/zinc/20/84/02/349208402.db2.gz NZJRWPMNXBYXII-UHFFFAOYSA-N 1 1 276.300 1.401 20 5 CDBDMO Cc1cc(NC[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000092026788 180308268 /nfs/dbraw/zinc/30/82/68/180308268.db2.gz PXEHUHUFVRDUKS-JTQLQIEISA-N 1 1 250.302 1.662 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269209 350540871 /nfs/dbraw/zinc/54/08/71/350540871.db2.gz JSANRRBRQQZLEZ-VIFPVBQESA-N 1 1 280.332 1.109 20 5 CDBDMO CSCC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174868624 365978940 /nfs/dbraw/zinc/97/89/40/365978940.db2.gz FKAUJOKTGIUDMW-SNVBAGLBSA-N 1 1 272.374 1.865 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000109849796 186277387 /nfs/dbraw/zinc/27/73/87/186277387.db2.gz HGCWXQDSEJZJPE-NSHDSACASA-N 1 1 293.323 1.042 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000067863581 351005101 /nfs/dbraw/zinc/00/51/01/351005101.db2.gz AQNVYPMYEGFVLX-QMMMGPOBSA-N 1 1 265.269 1.154 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613694 356043564 /nfs/dbraw/zinc/04/35/64/356043564.db2.gz DRSRRWOCJCBWNC-ZJUUUORDSA-N 1 1 268.317 1.064 20 5 CDBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000577811669 356050141 /nfs/dbraw/zinc/05/01/41/356050141.db2.gz CNXBWBJHSMMPSH-CYBMUJFWSA-N 1 1 294.355 1.346 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286268390 356240278 /nfs/dbraw/zinc/24/02/78/356240278.db2.gz BHMVKQFJSHETLN-SWLSCSKDSA-N 1 1 293.367 1.654 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335819 357178397 /nfs/dbraw/zinc/17/83/97/357178397.db2.gz YWFKRWYKWFEZKW-SNVBAGLBSA-N 1 1 266.297 1.836 20 5 CDBDMO CC(C)[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174642 357415326 /nfs/dbraw/zinc/41/53/26/357415326.db2.gz BJCCSMUEYUCCFZ-GFCCVEGCSA-N 1 1 298.339 1.037 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000264639574 357581494 /nfs/dbraw/zinc/58/14/94/357581494.db2.gz QDNBUCRMVWQSPE-LLVKDONJSA-N 1 1 292.339 1.075 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408068336 357803596 /nfs/dbraw/zinc/80/35/96/357803596.db2.gz TWSBIOMFILGDTR-NXEZZACHSA-N 1 1 250.302 1.519 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000408068025 357803800 /nfs/dbraw/zinc/80/38/00/357803800.db2.gz QTGLNABTTFOXLY-BDAKNGLRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C[N@H+]1C ZINC000408068025 357803804 /nfs/dbraw/zinc/80/38/04/357803804.db2.gz QTGLNABTTFOXLY-BDAKNGLRSA-N 1 1 266.301 1.088 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188491769 357903530 /nfs/dbraw/zinc/90/35/30/357903530.db2.gz PISDUBWUULQIMR-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294485941 199058281 /nfs/dbraw/zinc/05/82/81/199058281.db2.gz XMPTVONFFINAAT-QMMMGPOBSA-N 1 1 276.300 1.156 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189543737 358023284 /nfs/dbraw/zinc/02/32/84/358023284.db2.gz ZVEBGXDEZJUREW-CHWSQXEVSA-N 1 1 293.367 1.482 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152341 358201485 /nfs/dbraw/zinc/20/14/85/358201485.db2.gz ZMJRGSZRVNVZPL-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152341 358201487 /nfs/dbraw/zinc/20/14/87/358201487.db2.gz ZMJRGSZRVNVZPL-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804163 359082995 /nfs/dbraw/zinc/08/29/95/359082995.db2.gz RUIIUTJVZCYYQP-NSHDSACASA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460252 359057566 /nfs/dbraw/zinc/05/75/66/359057566.db2.gz DXUXMVRYSZGNMI-ONGXEEELSA-N 1 1 292.339 1.146 20 5 CDBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000047496252 359171093 /nfs/dbraw/zinc/17/10/93/359171093.db2.gz QSMOVBORHLMFRE-LBPRGKRZSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048445998 359207200 /nfs/dbraw/zinc/20/72/00/359207200.db2.gz XWAODCNMOIMUEC-MNOVXSKESA-N 1 1 279.340 1.988 20 5 CDBDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048445995 359207484 /nfs/dbraw/zinc/20/74/84/359207484.db2.gz XWAODCNMOIMUEC-GHMZBOCLSA-N 1 1 279.340 1.988 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339009762 359272759 /nfs/dbraw/zinc/27/27/59/359272759.db2.gz IRXLEJPBCZITLF-NSHDSACASA-N 1 1 252.270 1.521 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339009762 359272763 /nfs/dbraw/zinc/27/27/63/359272763.db2.gz IRXLEJPBCZITLF-NSHDSACASA-N 1 1 252.270 1.521 20 5 CDBDMO C[N@@H+](CCc1cnccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064494 359282664 /nfs/dbraw/zinc/28/26/64/359282664.db2.gz IFWZPNWNGPTBRD-UHFFFAOYSA-N 1 1 288.307 1.765 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571356032 359569921 /nfs/dbraw/zinc/56/99/21/359569921.db2.gz MYQNILBAMFEFDW-ZDUSSCGKSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000297626238 200245036 /nfs/dbraw/zinc/24/50/36/200245036.db2.gz SCJFHEQWXFURRG-UHFFFAOYSA-N 1 1 286.291 1.689 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298109376 200335863 /nfs/dbraw/zinc/33/58/63/200335863.db2.gz JMIMJPXFVQNNOX-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO Cc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000073000485 360074564 /nfs/dbraw/zinc/07/45/64/360074564.db2.gz JLROGEZBNFISDW-NEPJUHHUSA-N 1 1 292.339 1.573 20 5 CDBDMO C[N@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000229822639 360929966 /nfs/dbraw/zinc/92/99/66/360929966.db2.gz NBBHHFXVPZWQLO-SREVYHEPSA-N 1 1 289.335 1.772 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000580594227 363925473 /nfs/dbraw/zinc/92/54/73/363925473.db2.gz RCWSOQIMHWUXRY-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000580594227 363925477 /nfs/dbraw/zinc/92/54/77/363925477.db2.gz RCWSOQIMHWUXRY-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000340936956 364877148 /nfs/dbraw/zinc/87/71/48/364877148.db2.gz UMZSJUCIVSUOCR-GXSJLCMTSA-N 1 1 266.297 1.559 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000249583670 364924919 /nfs/dbraw/zinc/92/49/19/364924919.db2.gz SDEQPUQBKKYZFI-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000249583670 364924926 /nfs/dbraw/zinc/92/49/26/364924926.db2.gz SDEQPUQBKKYZFI-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CCOc1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000111052728 365377744 /nfs/dbraw/zinc/37/77/44/365377744.db2.gz OYEVXFHGYOZAGY-UHFFFAOYSA-N 1 1 295.339 1.108 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270957392 366948220 /nfs/dbraw/zinc/94/82/20/366948220.db2.gz UNRJPBJVANXONS-ZWNOBZJWSA-N 1 1 250.298 1.798 20 5 CDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000272427172 367731520 /nfs/dbraw/zinc/73/15/20/367731520.db2.gz HEXQFRAFOQZRAU-UWVGGRQHSA-N 1 1 295.364 1.823 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000272427172 367731526 /nfs/dbraw/zinc/73/15/26/367731526.db2.gz HEXQFRAFOQZRAU-UWVGGRQHSA-N 1 1 295.364 1.823 20 5 CDBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000272602788 367781887 /nfs/dbraw/zinc/78/18/87/367781887.db2.gz XVKFLXXMUZODGB-SECBINFHSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000272602788 367781896 /nfs/dbraw/zinc/78/18/96/367781896.db2.gz XVKFLXXMUZODGB-SECBINFHSA-N 1 1 293.323 1.513 20 5 CDBDMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330617370 203045843 /nfs/dbraw/zinc/04/58/43/203045843.db2.gz WLHAINLATCFZGB-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330761525 203202162 /nfs/dbraw/zinc/20/21/62/203202162.db2.gz HDKXLFCGUGIAQW-UHFFFAOYSA-N 1 1 295.343 1.040 20 5 CDBDMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129883882 370053539 /nfs/dbraw/zinc/05/35/39/370053539.db2.gz VRDSDJTWLFHSSF-BXUZGUMPSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129883882 370053543 /nfs/dbraw/zinc/05/35/43/370053543.db2.gz VRDSDJTWLFHSSF-BXUZGUMPSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856269 370225136 /nfs/dbraw/zinc/22/51/36/370225136.db2.gz VBSIDSXDUJUPAY-RYUDHWBXSA-N 1 1 279.340 1.643 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000543356713 372217884 /nfs/dbraw/zinc/21/78/84/372217884.db2.gz RCOODHIFROKFEO-SNVBAGLBSA-N 1 1 293.323 1.171 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000266378123 372778570 /nfs/dbraw/zinc/77/85/70/372778570.db2.gz HRNWJPJJNRNCJY-JTQLQIEISA-N 1 1 295.343 1.040 20 5 CDBDMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266378123 372778579 /nfs/dbraw/zinc/77/85/79/372778579.db2.gz HRNWJPJJNRNCJY-JTQLQIEISA-N 1 1 295.343 1.040 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266378123 372778587 /nfs/dbraw/zinc/77/85/87/372778587.db2.gz HRNWJPJJNRNCJY-JTQLQIEISA-N 1 1 295.343 1.040 20 5 CDBDMO C[C@H](O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722312 373480287 /nfs/dbraw/zinc/48/02/87/373480287.db2.gz IMULDOJRGPWTPR-ZRQQLDRUSA-N 1 1 250.298 1.921 20 5 CDBDMO Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040384 373770070 /nfs/dbraw/zinc/77/00/70/373770070.db2.gz CJPSEFQAXFUPHG-WPRPVWTQSA-N 1 1 295.343 1.039 20 5 CDBDMO C[C@H](c1ccccn1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091704665 374140858 /nfs/dbraw/zinc/14/08/58/374140858.db2.gz MSMVYDDXFBEJKQ-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C3CCOCC3)C2)n1 ZINC000371076019 374407004 /nfs/dbraw/zinc/40/70/04/374407004.db2.gz STPRSCXIDVGVKR-ZDUSSCGKSA-N 1 1 294.355 1.540 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356882708 374420208 /nfs/dbraw/zinc/42/02/08/374420208.db2.gz PTENCNJWVOAYHV-RYUDHWBXSA-N 1 1 291.351 1.688 20 5 CDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C2CC2)O1 ZINC000373405063 374466652 /nfs/dbraw/zinc/46/66/52/374466652.db2.gz SGVWLURETYJKSO-JQWIXIFHSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C2CC2)O1 ZINC000373405063 374466655 /nfs/dbraw/zinc/46/66/55/374466655.db2.gz SGVWLURETYJKSO-JQWIXIFHSA-N 1 1 280.328 1.291 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898972 374791534 /nfs/dbraw/zinc/79/15/34/374791534.db2.gz VLKQIGHLFMJVOY-NSHDSACASA-N 1 1 279.340 1.717 20 5 CDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331289422 374921644 /nfs/dbraw/zinc/92/16/44/374921644.db2.gz NYHBPEZXYBPZKS-WZRBSPASSA-N 1 1 282.344 1.273 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331234595 374911229 /nfs/dbraw/zinc/91/12/29/374911229.db2.gz DBIUQOCXGZBVKV-ZDUSSCGKSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331234595 374911232 /nfs/dbraw/zinc/91/12/32/374911232.db2.gz DBIUQOCXGZBVKV-ZDUSSCGKSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331234595 374911237 /nfs/dbraw/zinc/91/12/37/374911237.db2.gz DBIUQOCXGZBVKV-ZDUSSCGKSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246089 374914370 /nfs/dbraw/zinc/91/43/70/374914370.db2.gz MCHRFLQFUKGXMN-STQMWFEESA-N 1 1 282.344 1.273 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353196343 375585683 /nfs/dbraw/zinc/58/56/83/375585683.db2.gz SJPZWMAVZJLZCF-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC(O)C1 ZINC000353484576 375616536 /nfs/dbraw/zinc/61/65/36/375616536.db2.gz QTNNUZMXWCVMEG-UHEGKEBESA-N 1 1 293.323 1.377 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC(O)C1 ZINC000353484576 375616539 /nfs/dbraw/zinc/61/65/39/375616539.db2.gz QTNNUZMXWCVMEG-UHEGKEBESA-N 1 1 293.323 1.377 20 5 CDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849038 375798643 /nfs/dbraw/zinc/79/86/43/375798643.db2.gz SXXJKIDZIMJBDQ-QWRGUYRKSA-N 1 1 268.317 1.027 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([NH2+]C)C2)c1[N+](=O)[O-] ZINC000133995738 375881910 /nfs/dbraw/zinc/88/19/10/375881910.db2.gz JGJGFUZBVUNMLN-SECBINFHSA-N 1 1 295.343 1.094 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357419422 375907504 /nfs/dbraw/zinc/90/75/04/375907504.db2.gz KYPDEOVHDPUWQA-JTQLQIEISA-N 1 1 282.344 1.773 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048110 376522724 /nfs/dbraw/zinc/52/27/24/376522724.db2.gz FNAHROGCHPOXCJ-WDEREUQCSA-N 1 1 279.340 1.970 20 5 CDBDMO NC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267052742 376621420 /nfs/dbraw/zinc/62/14/20/376621420.db2.gz RHWILTPCFNWZNN-UHFFFAOYSA-N 1 1 295.314 1.821 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000175182613 379652524 /nfs/dbraw/zinc/65/25/24/379652524.db2.gz JYWASTBYZJBIFD-JTQLQIEISA-N 1 1 293.323 1.301 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219266 251178231 /nfs/dbraw/zinc/17/82/31/251178231.db2.gz VXPYXTNNUMHVHG-JTQLQIEISA-N 1 1 292.339 1.590 20 5 CDBDMO Cc1nc(NC[C@H]2CCCn3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450391460 251258916 /nfs/dbraw/zinc/25/89/16/251258916.db2.gz NTHDCHPLUCOPGW-SNVBAGLBSA-N 1 1 288.311 1.301 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489923815 253018086 /nfs/dbraw/zinc/01/80/86/253018086.db2.gz OLIPJSNTFXTHBR-VIFPVBQESA-N 1 1 276.300 1.260 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127423 195114031 /nfs/dbraw/zinc/11/40/31/195114031.db2.gz NAFPVORHLNQTEO-OAHLLOKOSA-N 1 1 291.351 1.861 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000288430474 197076892 /nfs/dbraw/zinc/07/68/92/197076892.db2.gz MQLJWVAHGWSRIY-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000288430474 197076893 /nfs/dbraw/zinc/07/68/93/197076893.db2.gz MQLJWVAHGWSRIY-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO COc1cc(C[NH2+]CC2(N(C)C)CC2)c([N+](=O)[O-])cc1O ZINC000418116558 390496204 /nfs/dbraw/zinc/49/62/04/390496204.db2.gz QXRHJABJLCDOTF-UHFFFAOYSA-N 1 1 295.339 1.493 20 5 CDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000433748371 390453469 /nfs/dbraw/zinc/45/34/69/390453469.db2.gz RFQHNRUOPPTXOI-UHFFFAOYSA-N 1 1 297.359 1.511 20 5 CDBDMO COc1ccc(OCc2noc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC000312173553 390898456 /nfs/dbraw/zinc/89/84/56/390898456.db2.gz QURCINKTFFYOKA-UHFFFAOYSA-N 1 1 280.240 1.024 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000452111209 391043701 /nfs/dbraw/zinc/04/37/01/391043701.db2.gz BUONLBFUVQEKHV-LBPRGKRZSA-N 1 1 281.360 1.206 20 5 CDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000441449367 391107861 /nfs/dbraw/zinc/10/78/61/391107861.db2.gz QIIZCBOZJKMTJO-NTZNESFSSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067905 391234267 /nfs/dbraw/zinc/23/42/67/391234267.db2.gz PYFRJFVBVJQYEB-VHSXEESVSA-N 1 1 250.302 1.519 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000521101450 391619089 /nfs/dbraw/zinc/61/90/89/391619089.db2.gz LFTIQGQJENERDJ-VXGBXAGGSA-N 1 1 293.371 1.650 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000189681233 130007724 /nfs/dbraw/zinc/00/77/24/130007724.db2.gz WQTUSAZZBCEJGV-QMMMGPOBSA-N 1 1 256.331 1.948 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000189681211 130007910 /nfs/dbraw/zinc/00/79/10/130007910.db2.gz WQTUSAZZBCEJGV-MRVPVSSYSA-N 1 1 256.331 1.948 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360295 130094332 /nfs/dbraw/zinc/09/43/32/130094332.db2.gz ZFTZLXHMFAOFCA-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263781251 131328711 /nfs/dbraw/zinc/32/87/11/131328711.db2.gz YXJAQXCIJXPTQJ-LLVKDONJSA-N 1 1 277.324 1.899 20 5 CDBDMO CN(C)CC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459545765 392461453 /nfs/dbraw/zinc/46/14/53/392461453.db2.gz HBOYHNOPXTWXNO-UHFFFAOYSA-N 1 1 294.355 1.463 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459718741 392501690 /nfs/dbraw/zinc/50/16/90/392501690.db2.gz NDCQFIKSQRCNSG-CMPLNLGQSA-N 1 1 292.339 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459718741 392501695 /nfs/dbraw/zinc/50/16/95/392501695.db2.gz NDCQFIKSQRCNSG-CMPLNLGQSA-N 1 1 292.339 1.329 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000549636858 392597475 /nfs/dbraw/zinc/59/74/75/392597475.db2.gz HCHMSFSROOSAGJ-LLVKDONJSA-N 1 1 281.360 1.650 20 5 CDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774455 392725460 /nfs/dbraw/zinc/72/54/60/392725460.db2.gz YNMAHYSWSOVYKC-SDDRHHMPSA-N 1 1 293.371 1.495 20 5 CDBDMO O=C(NCC[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269203445 132130468 /nfs/dbraw/zinc/13/04/68/132130468.db2.gz SISPFNDRUUGLTP-UHFFFAOYSA-N 1 1 293.323 1.516 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)[NH3+] ZINC000423286843 392960510 /nfs/dbraw/zinc/96/05/10/392960510.db2.gz JCBKXNACZXUZLM-SNVBAGLBSA-N 1 1 251.330 1.853 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N ZINC000423286843 392960520 /nfs/dbraw/zinc/96/05/20/392960520.db2.gz JCBKXNACZXUZLM-SNVBAGLBSA-N 1 1 251.330 1.853 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC(O)C1 ZINC000430227172 393095183 /nfs/dbraw/zinc/09/51/83/393095183.db2.gz QMIRZIPVRSDDDD-UHFFFAOYSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC(O)C1 ZINC000430227172 393095189 /nfs/dbraw/zinc/09/51/89/393095189.db2.gz QMIRZIPVRSDDDD-UHFFFAOYSA-N 1 1 266.297 1.559 20 5 CDBDMO CC(C)[C@](C)(CN)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000430599019 393102818 /nfs/dbraw/zinc/10/28/18/393102818.db2.gz PJCCUYLJYLUJKA-AWEZNQCLSA-N 1 1 281.356 1.937 20 5 CDBDMO CC(C)[C@](C)(C[NH3+])NCCOc1ccccc1[N+](=O)[O-] ZINC000430599019 393102826 /nfs/dbraw/zinc/10/28/26/393102826.db2.gz PJCCUYLJYLUJKA-AWEZNQCLSA-N 1 1 281.356 1.937 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000261610169 140363835 /nfs/dbraw/zinc/36/38/35/140363835.db2.gz SGRGDDIXGRCMTQ-WCFLWFBJSA-N 1 1 261.325 1.764 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261610161 140363848 /nfs/dbraw/zinc/36/38/48/140363848.db2.gz SGRGDDIXGRCMTQ-CYZMBNFOSA-N 1 1 261.325 1.764 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313971630 149250209 /nfs/dbraw/zinc/25/02/09/149250209.db2.gz UDYYFMXCWUIAKM-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000314369467 149253684 /nfs/dbraw/zinc/25/36/84/149253684.db2.gz KHUZHOSQLIXJMT-LBPRGKRZSA-N 1 1 293.323 1.041 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042443 149305431 /nfs/dbraw/zinc/30/54/31/149305431.db2.gz NADLXIIVELBMPQ-CMPLNLGQSA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@H+]1C ZINC000343561362 152225620 /nfs/dbraw/zinc/22/56/20/152225620.db2.gz QAFCSVZZOWIHAN-IUCAKERBSA-N 1 1 267.285 1.400 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041519 152399593 /nfs/dbraw/zinc/39/95/93/152399593.db2.gz WBNSDNNKDMTSAT-SGMGOOAPSA-N 1 1 292.335 1.806 20 5 CDBDMO CC[NH+](CC)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000347131943 153424094 /nfs/dbraw/zinc/42/40/94/153424094.db2.gz JIEQPXIVWQGEQB-UHFFFAOYSA-N 1 1 280.288 1.220 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278564304 292295401 /nfs/dbraw/zinc/29/54/01/292295401.db2.gz BQMCJEQCIVPUAQ-WQAKAFBOSA-N 1 1 266.297 1.002 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000372387115 160115225 /nfs/dbraw/zinc/11/52/25/160115225.db2.gz YYZPIPXGGPJKHX-JTQLQIEISA-N 1 1 263.297 1.305 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000372387115 160115227 /nfs/dbraw/zinc/11/52/27/160115227.db2.gz YYZPIPXGGPJKHX-JTQLQIEISA-N 1 1 263.297 1.305 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285424051 196280463 /nfs/dbraw/zinc/28/04/63/196280463.db2.gz GWDKRSMJSHKIJY-UHFFFAOYSA-N 1 1 250.298 1.594 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000044687470 175231864 /nfs/dbraw/zinc/23/18/64/175231864.db2.gz PIBORFVATYGESD-SNVBAGLBSA-N 1 1 267.354 1.983 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000044687470 175231865 /nfs/dbraw/zinc/23/18/65/175231865.db2.gz PIBORFVATYGESD-SNVBAGLBSA-N 1 1 267.354 1.983 20 5 CDBDMO COc1ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723135 175237561 /nfs/dbraw/zinc/23/75/61/175237561.db2.gz DEPVNZUTPUZGBX-LBPRGKRZSA-N 1 1 291.351 1.930 20 5 CDBDMO COc1ccc(CN[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723135 175237563 /nfs/dbraw/zinc/23/75/63/175237563.db2.gz DEPVNZUTPUZGBX-LBPRGKRZSA-N 1 1 291.351 1.930 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000295233358 280657940 /nfs/dbraw/zinc/65/79/40/280657940.db2.gz OGASEIGBACHWGY-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522275311 281095928 /nfs/dbraw/zinc/09/59/28/281095928.db2.gz DLPNHDSBPXALTG-LLVKDONJSA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000522275311 281095930 /nfs/dbraw/zinc/09/59/30/281095930.db2.gz DLPNHDSBPXALTG-LLVKDONJSA-N 1 1 265.313 1.727 20 5 CDBDMO Cc1cccc(OC[C@H](O)C[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000290531919 281250139 /nfs/dbraw/zinc/25/01/39/281250139.db2.gz DJVZRPDPRLZPSM-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@H](O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190905408 290082320 /nfs/dbraw/zinc/08/23/20/290082320.db2.gz LZVGYMHCGZMLRI-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO Cn1c(C(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000556804218 290301370 /nfs/dbraw/zinc/30/13/70/290301370.db2.gz FCSDLIGIYNNRTM-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO Cn1c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000556804218 290301372 /nfs/dbraw/zinc/30/13/72/290301372.db2.gz FCSDLIGIYNNRTM-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000557920365 290373530 /nfs/dbraw/zinc/37/35/30/290373530.db2.gz UHLQLGLNOHTOHN-ZDUSSCGKSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000576175168 317091435 /nfs/dbraw/zinc/09/14/35/317091435.db2.gz QWGVOMXWXCIQJD-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CC(C)Oc1nc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000579005157 324081658 /nfs/dbraw/zinc/08/16/58/324081658.db2.gz RSMOWTMQRQQCNZ-UHFFFAOYSA-N 1 1 294.355 1.705 20 5 CDBDMO Cc1nn(CCCc2c[nH+]cn2C)c(C)c1[N+](=O)[O-] ZINC000583945726 325274458 /nfs/dbraw/zinc/27/44/58/325274458.db2.gz DXBNWJDAZMFNMR-UHFFFAOYSA-N 1 1 263.301 1.774 20 5 CDBDMO COc1cc(C[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184221960 522352559 /nfs/dbraw/zinc/35/25/59/522352559.db2.gz NWCKJLFDZTWGNW-QMMMGPOBSA-N 1 1 272.276 1.555 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027996 521614145 /nfs/dbraw/zinc/61/41/45/521614145.db2.gz WLSQSWCDOCEXTP-VIFPVBQESA-N 1 1 270.358 1.617 20 5 CDBDMO COC[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438759 522224623 /nfs/dbraw/zinc/22/46/23/522224623.db2.gz FMGHKPPUDMGZHS-GHMZBOCLSA-N 1 1 280.328 1.511 20 5 CDBDMO COc1cc(C[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184221960 522352550 /nfs/dbraw/zinc/35/25/50/522352550.db2.gz NWCKJLFDZTWGNW-QMMMGPOBSA-N 1 1 272.276 1.555 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826361 524600460 /nfs/dbraw/zinc/60/04/60/524600460.db2.gz KXYDZGSUYFLPRT-AAEUAGOBSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246597840 524658956 /nfs/dbraw/zinc/65/89/56/524658956.db2.gz QHBYZXZVSKJYSQ-UMNHJUIQSA-N 1 1 268.317 1.025 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328474 525382523 /nfs/dbraw/zinc/38/25/23/525382523.db2.gz OHRGVFDGQAWENL-PHIMTYICSA-N 1 1 252.318 1.769 20 5 CDBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000337021195 525710115 /nfs/dbraw/zinc/71/01/15/525710115.db2.gz RJLYPBIEIQUAAS-HTQZYQBOSA-N 1 1 256.331 1.946 20 5 CDBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cs1 ZINC000069141761 527331754 /nfs/dbraw/zinc/33/17/54/527331754.db2.gz URCBAZGVMQOGTL-SECBINFHSA-N 1 1 290.366 1.323 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893926159 618182658 /nfs/dbraw/zinc/18/26/58/618182658.db2.gz SNJGHQOHDZKHHM-JTQLQIEISA-N 1 1 269.349 1.861 20 5 CDBDMO Cc1cnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246641 619492308 /nfs/dbraw/zinc/49/23/08/619492308.db2.gz OOTRGYCENRVFSG-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[N@H+]1C ZINC000895771262 619837609 /nfs/dbraw/zinc/83/76/09/619837609.db2.gz WUHAITCEOJBNCA-JTQLQIEISA-N 1 1 293.323 1.806 20 5 CDBDMO CCOc1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CCO2 ZINC000905217728 626697160 /nfs/dbraw/zinc/69/71/60/626697160.db2.gz FNMZBGKMQKASPO-LBPRGKRZSA-N 1 1 266.297 1.775 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000905236978 626718371 /nfs/dbraw/zinc/71/83/71/626718371.db2.gz HTLFLARCTVKUPK-UHFFFAOYSA-N 1 1 293.201 1.980 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000129145034 1158948930 /nfs/dbraw/zinc/94/89/30/1158948930.db2.gz NWXUFEFPZUTWED-CHWSQXEVSA-N 1 1 294.355 1.867 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000129145034 1158948932 /nfs/dbraw/zinc/94/89/32/1158948932.db2.gz NWXUFEFPZUTWED-CHWSQXEVSA-N 1 1 294.355 1.867 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327220 1162337264 /nfs/dbraw/zinc/33/72/64/1162337264.db2.gz GABUKHKGASLTAY-AAEUAGOBSA-N 1 1 294.351 1.991 20 5 CDBDMO [NH3+]C[C@@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506413 1164245687 /nfs/dbraw/zinc/24/56/87/1164245687.db2.gz HCEYNTKAZLBHMB-KWCYVHTRSA-N 1 1 263.341 1.721 20 5 CDBDMO [NH3+]C[C@@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506409 1164245714 /nfs/dbraw/zinc/24/57/14/1164245714.db2.gz HCEYNTKAZLBHMB-FPMFFAJLSA-N 1 1 263.341 1.721 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640911 719214590 /nfs/dbraw/zinc/21/45/90/719214590.db2.gz UDCMXAGPVXAMLG-UWVGGRQHSA-N 1 1 289.339 2.000 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882133838 738434665 /nfs/dbraw/zinc/43/46/65/738434665.db2.gz DEALIQZBWNNVME-SECBINFHSA-N 1 1 291.286 1.856 20 5 CDBDMO COc1cccc(C(=O)OCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000861391837 736876687 /nfs/dbraw/zinc/87/66/87/736876687.db2.gz JDTFPRAEDOKCMW-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597110 736901983 /nfs/dbraw/zinc/90/19/83/736901983.db2.gz HJIPJSSFBRMFFB-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597110 736901985 /nfs/dbraw/zinc/90/19/85/736901985.db2.gz HJIPJSSFBRMFFB-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597110 736901987 /nfs/dbraw/zinc/90/19/87/736901987.db2.gz HJIPJSSFBRMFFB-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000886238730 737232873 /nfs/dbraw/zinc/23/28/73/737232873.db2.gz HAGDZDHCYKUYJW-NWDGAFQWSA-N 1 1 277.324 1.847 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000886238730 737232875 /nfs/dbraw/zinc/23/28/75/737232875.db2.gz HAGDZDHCYKUYJW-NWDGAFQWSA-N 1 1 277.324 1.847 20 5 CDBDMO CO[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886160031 737240763 /nfs/dbraw/zinc/24/07/63/737240763.db2.gz IJABQZZANBOSQW-JQWIXIFHSA-N 1 1 265.313 1.847 20 5 CDBDMO CO[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000886160031 737240767 /nfs/dbraw/zinc/24/07/67/737240767.db2.gz IJABQZZANBOSQW-JQWIXIFHSA-N 1 1 265.313 1.847 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000862442104 737241102 /nfs/dbraw/zinc/24/11/02/737241102.db2.gz AMOIXPVZXBAPTF-AOOOYVTPSA-N 1 1 263.253 1.955 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000862442104 737241104 /nfs/dbraw/zinc/24/11/04/737241104.db2.gz AMOIXPVZXBAPTF-AOOOYVTPSA-N 1 1 263.253 1.955 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000817131730 737265793 /nfs/dbraw/zinc/26/57/93/737265793.db2.gz MOGNLXPEMCEGPV-LLVKDONJSA-N 1 1 264.329 1.707 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000933862477 738222547 /nfs/dbraw/zinc/22/25/47/738222547.db2.gz ZZGOINHQPMOZCH-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000877570926 738234260 /nfs/dbraw/zinc/23/42/60/738234260.db2.gz UGHJGAYFFGLYBD-ZIAGYGMSSA-N 1 1 280.324 1.403 20 5 CDBDMO CC(C)(O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886310341 738583984 /nfs/dbraw/zinc/58/39/84/738583984.db2.gz JSIBQUVJMVJRTF-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310414 738849570 /nfs/dbraw/zinc/84/95/70/738849570.db2.gz MKZYMVXWTYQQBI-SNVBAGLBSA-N 1 1 257.334 1.032 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886094712 739013514 /nfs/dbraw/zinc/01/35/14/739013514.db2.gz XVFLGXCMOUMYRN-ONGXEEELSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063310 738861826 /nfs/dbraw/zinc/86/18/26/738861826.db2.gz JYGRLSPCUOYJDX-NEPJUHHUSA-N 1 1 285.388 1.621 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583123 738864236 /nfs/dbraw/zinc/86/42/36/738864236.db2.gz XCBPVRKSEDJGJA-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839733252 738883498 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CC(C)N1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053558 927671124 /nfs/dbraw/zinc/67/11/24/927671124.db2.gz IOWWBRKZZGARIM-MJBXVCDLSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@@H+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053558 927671132 /nfs/dbraw/zinc/67/11/32/927671132.db2.gz IOWWBRKZZGARIM-MJBXVCDLSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@H+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053558 927671140 /nfs/dbraw/zinc/67/11/40/927671140.db2.gz IOWWBRKZZGARIM-MJBXVCDLSA-N 1 1 269.389 1.846 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170863800 930517442 /nfs/dbraw/zinc/51/74/42/930517442.db2.gz FDSMXLGLHFSJGS-SECBINFHSA-N 1 1 260.681 1.112 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311278 932870902 /nfs/dbraw/zinc/87/09/02/932870902.db2.gz RYYBTUXDNMYCSK-NSHDSACASA-N 1 1 263.297 1.209 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001119969775 937769106 /nfs/dbraw/zinc/76/91/06/937769106.db2.gz XNBWNVBFTUGDFB-GXSJLCMTSA-N 1 1 278.312 1.139 20 5 CDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001156597658 938391573 /nfs/dbraw/zinc/39/15/73/938391573.db2.gz KSYXDNYUQUDHPO-LBPRGKRZSA-N 1 1 292.339 1.247 20 5 CDBDMO [NH3+]Cc1ncn(-c2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001157927842 938563758 /nfs/dbraw/zinc/56/37/58/938563758.db2.gz CHOSGFZJXCGFPE-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001162340568 939030563 /nfs/dbraw/zinc/03/05/63/939030563.db2.gz FFVUMHVRJHNALZ-LBPRGKRZSA-N 1 1 295.299 1.794 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165278953 939539910 /nfs/dbraw/zinc/53/99/10/939539910.db2.gz OEOYZDNPLIFFRV-NSHDSACASA-N 1 1 280.328 1.372 20 5 CDBDMO COc1cc(N2CCn3c(C)[nH+]cc3C2)ncc1[N+](=O)[O-] ZINC001165386126 939555779 /nfs/dbraw/zinc/55/57/79/939555779.db2.gz YRVIBZODWDDYLD-UHFFFAOYSA-N 1 1 289.295 1.524 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224112213 941721451 /nfs/dbraw/zinc/72/14/51/941721451.db2.gz AQLPQGNGNOHZHL-GFCCVEGCSA-N 1 1 281.312 1.227 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751704 942063372 /nfs/dbraw/zinc/06/33/72/942063372.db2.gz PSGUKYGSLFGCBS-SNVBAGLBSA-N 1 1 285.275 1.228 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)n1 ZINC001227062592 942124439 /nfs/dbraw/zinc/12/44/39/942124439.db2.gz QSSXOYXLRYSEIR-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)n1 ZINC001227062592 942124443 /nfs/dbraw/zinc/12/44/43/942124443.db2.gz QSSXOYXLRYSEIR-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO COC(=O)c1ccc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227294355 942164204 /nfs/dbraw/zinc/16/42/04/942164204.db2.gz BYBCZIYQHTWBOV-JTQLQIEISA-N 1 1 280.280 1.464 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228140104 942273990 /nfs/dbraw/zinc/27/39/90/942273990.db2.gz GFZDPKCRSRQREZ-SECBINFHSA-N 1 1 282.300 1.342 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001228687046 942357839 /nfs/dbraw/zinc/35/78/39/942357839.db2.gz TZEMHYUXODDOKH-QMMMGPOBSA-N 1 1 253.258 1.087 20 5 CDBDMO O=[N+]([O-])c1ccncc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228883670 942388398 /nfs/dbraw/zinc/38/83/98/942388398.db2.gz XYAOAQMDOXFZSN-VIFPVBQESA-N 1 1 260.253 1.580 20 5 CDBDMO CO[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599694 947551002 /nfs/dbraw/zinc/55/10/02/947551002.db2.gz OZDCJSYIBZVFNW-RDBSUJKOSA-N 1 1 280.299 1.731 20 5 CDBDMO CO[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599694 947551011 /nfs/dbraw/zinc/55/10/11/947551011.db2.gz OZDCJSYIBZVFNW-RDBSUJKOSA-N 1 1 280.299 1.731 20 5 CDBDMO C[N@@H+](Cc1cncnc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612643 947556424 /nfs/dbraw/zinc/55/64/24/947556424.db2.gz XJPHCBSVVSUEHP-HNNXBMFYSA-N 1 1 284.319 1.984 20 5 CDBDMO Cc1nc(NC[C@H]2CCCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001334940251 959473422 /nfs/dbraw/zinc/47/34/22/959473422.db2.gz WSWMHHUOYXWLPA-LLVKDONJSA-N 1 1 279.344 1.837 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC001322423942 960215578 /nfs/dbraw/zinc/21/55/78/960215578.db2.gz IAFOBIWMRKLWEP-GFCCVEGCSA-N 1 1 278.356 1.862 20 5 CDBDMO Cc1nn(CN2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001323583267 960837812 /nfs/dbraw/zinc/83/78/12/960837812.db2.gz RMKDLSHIICIFIM-LBPRGKRZSA-N 1 1 279.344 1.227 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC001337266815 961068791 /nfs/dbraw/zinc/06/87/91/961068791.db2.gz GEKXHOUGOWEJBW-VHSXEESVSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCN1C ZINC001337266815 961068821 /nfs/dbraw/zinc/06/88/21/961068821.db2.gz GEKXHOUGOWEJBW-VHSXEESVSA-N 1 1 284.385 1.703 20 5 CDBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC001354403367 968700497 /nfs/dbraw/zinc/70/04/97/968700497.db2.gz ALUAVYPEGSHAJD-NSHDSACASA-N 1 1 252.314 1.835 20 5 CDBDMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001522828440 970580731 /nfs/dbraw/zinc/58/07/31/970580731.db2.gz ZNVSXYXXHLOSHT-SNVBAGLBSA-N 1 1 263.297 1.793 20 5 CDBDMO C[C@@H](CCO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601125371 342471507 /nfs/dbraw/zinc/47/15/07/342471507.db2.gz PRQBVPYRGGZCPA-JTQLQIEISA-N 1 1 275.308 1.995 20 5 CDBDMO C[C@@H]1C(=O)NCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601124305 342471564 /nfs/dbraw/zinc/47/15/64/342471564.db2.gz DEENYZVFYCFNNZ-SECBINFHSA-N 1 1 286.291 1.468 20 5 CDBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000601183640 342489078 /nfs/dbraw/zinc/48/90/78/342489078.db2.gz AACNLQYKVIQWII-NEPJUHHUSA-N 1 1 276.340 1.686 20 5 CDBDMO Cc1c[nH]nc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000589311567 342503780 /nfs/dbraw/zinc/50/37/80/342503780.db2.gz SMKPVOVRXDJGPG-UHFFFAOYSA-N 1 1 276.296 1.795 20 5 CDBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000027565558 342545799 /nfs/dbraw/zinc/54/57/99/342545799.db2.gz MNXWJNIIQSWQLE-CYBMUJFWSA-N 1 1 277.324 1.647 20 5 CDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000027565558 342545800 /nfs/dbraw/zinc/54/58/00/342545800.db2.gz MNXWJNIIQSWQLE-CYBMUJFWSA-N 1 1 277.324 1.647 20 5 CDBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000590708001 342585243 /nfs/dbraw/zinc/58/52/43/342585243.db2.gz DHIBIRQHRYOWLB-NSHDSACASA-N 1 1 280.328 1.249 20 5 CDBDMO CCCC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000048047742 342153968 /nfs/dbraw/zinc/15/39/68/342153968.db2.gz JNEOEXGWILLNNK-UHFFFAOYSA-N 1 1 265.313 1.682 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000048047742 342153969 /nfs/dbraw/zinc/15/39/69/342153969.db2.gz JNEOEXGWILLNNK-UHFFFAOYSA-N 1 1 265.313 1.682 20 5 CDBDMO O=[N+]([O-])c1ccn(CCN(C2CC2)C2CC[NH2+]CC2)n1 ZINC000592471367 342698265 /nfs/dbraw/zinc/69/82/65/342698265.db2.gz YFNMKPFKQLPWRT-UHFFFAOYSA-N 1 1 279.344 1.008 20 5 CDBDMO C[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342876473 361960486 /nfs/dbraw/zinc/96/04/86/361960486.db2.gz QMKHSZYPKZQBAD-UHFFFAOYSA-N 1 1 288.307 1.464 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000588833706 342222951 /nfs/dbraw/zinc/22/29/51/342222951.db2.gz RXEZICBMQKZBCO-PHIMTYICSA-N 1 1 279.344 1.117 20 5 CDBDMO COc1cc(C[NH2+]C/C=C/CO)c([N+](=O)[O-])cc1OC ZINC000594974531 342992954 /nfs/dbraw/zinc/99/29/54/342992954.db2.gz LDDVPGPXIBFHCG-ONEGZZNKSA-N 1 1 282.296 1.250 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595340234 343030775 /nfs/dbraw/zinc/03/07/75/343030775.db2.gz CLGOSCUTHMOSDB-VIFPVBQESA-N 1 1 255.274 1.360 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595340234 343030777 /nfs/dbraw/zinc/03/07/77/343030777.db2.gz CLGOSCUTHMOSDB-VIFPVBQESA-N 1 1 255.274 1.360 20 5 CDBDMO C[C@@H]([NH2+]CCc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC000595414209 343051491 /nfs/dbraw/zinc/05/14/91/343051491.db2.gz JHJKLFFHKSICHF-SECBINFHSA-N 1 1 261.285 1.606 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595520330 343088043 /nfs/dbraw/zinc/08/80/43/343088043.db2.gz KEYXURKACJLVDF-LLVKDONJSA-N 1 1 282.344 1.807 20 5 CDBDMO C[C@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995681 342332868 /nfs/dbraw/zinc/33/28/68/342332868.db2.gz MNYBDSIJRYKGDC-GFCCVEGCSA-N 1 1 279.340 1.975 20 5 CDBDMO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595813291 343161862 /nfs/dbraw/zinc/16/18/62/343161862.db2.gz ZXVSENJKGPFQDL-GHMZBOCLSA-N 1 1 275.308 1.875 20 5 CDBDMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595813291 343161863 /nfs/dbraw/zinc/16/18/63/343161863.db2.gz ZXVSENJKGPFQDL-GHMZBOCLSA-N 1 1 275.308 1.875 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080601120 342357339 /nfs/dbraw/zinc/35/73/39/342357339.db2.gz XGTGAYVYWDPVLF-VXGBXAGGSA-N 1 1 294.355 1.819 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091079493 342399991 /nfs/dbraw/zinc/39/99/91/342399991.db2.gz NMTQKHIDEKBBIH-UHFFFAOYSA-N 1 1 288.307 1.755 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091079493 342399992 /nfs/dbraw/zinc/39/99/92/342399992.db2.gz NMTQKHIDEKBBIH-UHFFFAOYSA-N 1 1 288.307 1.755 20 5 CDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142070704 342447694 /nfs/dbraw/zinc/44/76/94/342447694.db2.gz XQSYDSHPJRPKSH-LBPRGKRZSA-N 1 1 289.335 1.905 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597854871 343646932 /nfs/dbraw/zinc/64/69/32/343646932.db2.gz OBRAWUSSIUWPJV-JTQLQIEISA-N 1 1 294.355 1.773 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599140315 343959787 /nfs/dbraw/zinc/95/97/87/343959787.db2.gz UQELMWMWNDYKAJ-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1C[C@@H](O)C1 ZINC000599670567 344126291 /nfs/dbraw/zinc/12/62/91/344126291.db2.gz HBNDURMDLCHJAI-JGZJWPJOSA-N 1 1 291.307 1.939 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000173449808 529961859 /nfs/dbraw/zinc/96/18/59/529961859.db2.gz ALOKBIMBOGQUHX-AWEZNQCLSA-N 1 1 296.371 1.664 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673644 344523742 /nfs/dbraw/zinc/52/37/42/344523742.db2.gz LZTWGIUHZWFISM-SECBINFHSA-N 1 1 279.296 1.939 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC1CC1 ZINC000602798155 344588802 /nfs/dbraw/zinc/58/88/02/344588802.db2.gz OXWBIPBLEBYLNQ-UHFFFAOYSA-N 1 1 252.318 1.832 20 5 CDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC=CCC2)nc2sccn21 ZINC000280187792 362415653 /nfs/dbraw/zinc/41/56/53/362415653.db2.gz INNALSMBJSALPH-UHFFFAOYSA-N 1 1 293.352 1.978 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819399 344608661 /nfs/dbraw/zinc/60/86/61/344608661.db2.gz AUBVXNOIPNCFTF-ZDUSSCGKSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000602837896 344620013 /nfs/dbraw/zinc/62/00/13/344620013.db2.gz PTJLXZYXWFJDHO-GFCCVEGCSA-N 1 1 282.344 1.194 20 5 CDBDMO C[C@@H]([NH2+]CC(=O)Nc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000611383364 346774177 /nfs/dbraw/zinc/77/41/77/346774177.db2.gz UWLUYPLPBKYHBW-SECBINFHSA-N 1 1 290.279 1.294 20 5 CDBDMO CN(CCCC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613963998 347951660 /nfs/dbraw/zinc/95/16/60/347951660.db2.gz WHUMDXGKNLUGFD-UHFFFAOYSA-N 1 1 295.339 1.714 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552704 180003005 /nfs/dbraw/zinc/00/30/05/180003005.db2.gz GHQDRWHUBVHYCY-LBPRGKRZSA-N 1 1 297.380 1.584 20 5 CDBDMO COc1ccc(CNC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000106468331 186119822 /nfs/dbraw/zinc/11/98/22/186119822.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 1 1 279.340 1.787 20 5 CDBDMO COc1ccc(CNC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000106468331 186119823 /nfs/dbraw/zinc/11/98/23/186119823.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 1 1 279.340 1.787 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000109847723 186276890 /nfs/dbraw/zinc/27/68/90/186276890.db2.gz VEFHAIRTACLLHP-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263961 186381209 /nfs/dbraw/zinc/38/12/09/186381209.db2.gz PNIRIPVCNDLJPI-CYBMUJFWSA-N 1 1 291.351 1.861 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000155015127 188176687 /nfs/dbraw/zinc/17/66/87/188176687.db2.gz GNFXCRMHRPJAPV-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156880269 188285666 /nfs/dbraw/zinc/28/56/66/188285666.db2.gz MWCXRHVSQRARCU-DOMZBBRYSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@@H](O)C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156880269 188285668 /nfs/dbraw/zinc/28/56/68/188285668.db2.gz MWCXRHVSQRARCU-DOMZBBRYSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156879977 188286302 /nfs/dbraw/zinc/28/63/02/188286302.db2.gz MWCXRHVSQRARCU-IUODEOHRSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156879977 188286304 /nfs/dbraw/zinc/28/63/04/188286304.db2.gz MWCXRHVSQRARCU-IUODEOHRSA-N 1 1 294.351 1.609 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116348 188297715 /nfs/dbraw/zinc/29/77/15/188297715.db2.gz ZTKPJIZTUACAII-LLVKDONJSA-N 1 1 263.297 1.210 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000271879545 191385622 /nfs/dbraw/zinc/38/56/22/191385622.db2.gz BSXARFQHJLZCHJ-UHFFFAOYSA-N 1 1 275.308 1.587 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000336788754 356263069 /nfs/dbraw/zinc/26/30/69/356263069.db2.gz QRMPVUZJGRVEMZ-GFCCVEGCSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000358667676 356322188 /nfs/dbraw/zinc/32/21/88/356322188.db2.gz QYNYHWCVXRXBHO-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134511430 356328683 /nfs/dbraw/zinc/32/86/83/356328683.db2.gz GOMMAHNCMRDFQG-LLVKDONJSA-N 1 1 282.319 1.392 20 5 CDBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cn1 ZINC000230874232 535301291 /nfs/dbraw/zinc/30/12/91/535301291.db2.gz QJDRALZHFUETHD-UHFFFAOYSA-N 1 1 253.306 1.529 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000134839950 356419004 /nfs/dbraw/zinc/41/90/04/356419004.db2.gz HPBQKGUIGMKTIL-UHFFFAOYSA-N 1 1 281.312 1.236 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000134839950 356419006 /nfs/dbraw/zinc/41/90/06/356419006.db2.gz HPBQKGUIGMKTIL-UHFFFAOYSA-N 1 1 281.312 1.236 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000247145976 356680562 /nfs/dbraw/zinc/68/05/62/356680562.db2.gz WQPBHQFNHJLMSB-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000247145976 356680566 /nfs/dbraw/zinc/68/05/66/356680566.db2.gz WQPBHQFNHJLMSB-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO CS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037740739 356922647 /nfs/dbraw/zinc/92/26/47/356922647.db2.gz DPEZNMDCGOYMND-UHFFFAOYSA-N 1 1 292.744 1.382 20 5 CDBDMO O=C1OCC[C@]12CCC[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667174 357673559 /nfs/dbraw/zinc/67/35/59/357673559.db2.gz CBTHSZXVPFPGNB-OAHLLOKOSA-N 1 1 290.319 1.919 20 5 CDBDMO O=C1OCC[C@]12CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000186667174 357673561 /nfs/dbraw/zinc/67/35/61/357673561.db2.gz CBTHSZXVPFPGNB-OAHLLOKOSA-N 1 1 290.319 1.919 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCOCCO ZINC000337422059 358033024 /nfs/dbraw/zinc/03/30/24/358033024.db2.gz BOADIYGPTLMSQE-GFCCVEGCSA-N 1 1 282.340 1.905 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000220304839 358140802 /nfs/dbraw/zinc/14/08/02/358140802.db2.gz ZMPABTGSPHCONA-JTQLQIEISA-N 1 1 294.355 1.836 20 5 CDBDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361374356 358171518 /nfs/dbraw/zinc/17/15/18/358171518.db2.gz WYXCXWOPQXUXES-ZWNOBZJWSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361374356 358171523 /nfs/dbraw/zinc/17/15/23/358171523.db2.gz WYXCXWOPQXUXES-ZWNOBZJWSA-N 1 1 293.323 1.643 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000361556738 358280727 /nfs/dbraw/zinc/28/07/27/358280727.db2.gz KNBGPFPRYSRQGO-CYBMUJFWSA-N 1 1 297.742 1.946 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657475 358403274 /nfs/dbraw/zinc/40/32/74/358403274.db2.gz JGZVSNJQXWBKQZ-NWDGAFQWSA-N 1 1 289.335 1.951 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC)CC1 ZINC000195328727 358427704 /nfs/dbraw/zinc/42/77/04/358427704.db2.gz FJWFDUJFHLVDBH-UHFFFAOYSA-N 1 1 267.333 1.262 20 5 CDBDMO COc1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290854299 358683165 /nfs/dbraw/zinc/68/31/65/358683165.db2.gz XQNSPPFLPQRXIC-LLVKDONJSA-N 1 1 296.323 1.437 20 5 CDBDMO COc1cc(-c2nc(C[NH3+])no2)cc([N+](=O)[O-])c1C ZINC000567849810 358740137 /nfs/dbraw/zinc/74/01/37/358740137.db2.gz HUGSZXSHTIERDT-UHFFFAOYSA-N 1 1 264.241 1.421 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279807753 358944621 /nfs/dbraw/zinc/94/46/21/358944621.db2.gz PRGGISWNHYLGBS-CHWSQXEVSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104189671 358950125 /nfs/dbraw/zinc/95/01/25/358950125.db2.gz YPWFAQOIMNIZMC-SNVBAGLBSA-N 1 1 292.339 1.167 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451788060 359080478 /nfs/dbraw/zinc/08/04/78/359080478.db2.gz YWXDSDRYSHMASD-JTQLQIEISA-N 1 1 284.360 1.557 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451788060 359080483 /nfs/dbraw/zinc/08/04/83/359080483.db2.gz YWXDSDRYSHMASD-JTQLQIEISA-N 1 1 284.360 1.557 20 5 CDBDMO CCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262024183 359124238 /nfs/dbraw/zinc/12/42/38/359124238.db2.gz ATLBNNKXMZUDLV-LLVKDONJSA-N 1 1 293.323 1.515 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571914476 359675946 /nfs/dbraw/zinc/67/59/46/359675946.db2.gz XAOPIUBMTVERLO-NEPJUHHUSA-N 1 1 293.371 1.793 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000075676839 359914237 /nfs/dbraw/zinc/91/42/37/359914237.db2.gz VQLATLFNPIGMLO-UHFFFAOYSA-N 1 1 268.317 1.370 20 5 CDBDMO Cc1nc(N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000572352698 360415824 /nfs/dbraw/zinc/41/58/24/360415824.db2.gz WITNJYRRUNPDFO-ZYHUDNBSSA-N 1 1 291.355 1.756 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000178002567 189085214 /nfs/dbraw/zinc/08/52/14/189085214.db2.gz UYERYKVSYAAGJI-CYBMUJFWSA-N 1 1 266.297 1.560 20 5 CDBDMO CN1CCO[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000121146436 361199286 /nfs/dbraw/zinc/19/92/86/361199286.db2.gz CLCYZROBHXNSRJ-LSDHHAIUSA-N 1 1 291.351 1.152 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccco1 ZINC000298863890 239346912 /nfs/dbraw/zinc/34/69/12/239346912.db2.gz RQHQUKXYHAUMCU-SNVBAGLBSA-N 1 1 292.295 1.549 20 5 CDBDMO COCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049331962 363931852 /nfs/dbraw/zinc/93/18/52/363931852.db2.gz PWAKYZQZKNSVEK-UHFFFAOYSA-N 1 1 281.312 1.162 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835279 364581916 /nfs/dbraw/zinc/58/19/16/364581916.db2.gz AZGYBMANKVIHBJ-LLVKDONJSA-N 1 1 252.318 1.913 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000270822789 366934694 /nfs/dbraw/zinc/93/46/94/366934694.db2.gz BLBVUJNPLWMOHR-YPMHNXCESA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330889055 203356213 /nfs/dbraw/zinc/35/62/13/203356213.db2.gz BBHKBXVYUTUDFE-YPMHNXCESA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295309644 369920206 /nfs/dbraw/zinc/92/02/06/369920206.db2.gz VXZLGQXCWSRANR-CQSZACIVSA-N 1 1 295.314 1.297 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000294934429 371107155 /nfs/dbraw/zinc/10/71/55/371107155.db2.gz KXLYSHAAIIPKOZ-DTORHVGOSA-N 1 1 265.317 1.222 20 5 CDBDMO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926478 371107173 /nfs/dbraw/zinc/10/71/73/371107173.db2.gz NHCYHWVBVGETMW-RYUDHWBXSA-N 1 1 279.340 1.963 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913975 372033909 /nfs/dbraw/zinc/03/39/09/372033909.db2.gz KAGXDJLBKGLQLS-QMMMGPOBSA-N 1 1 269.326 1.338 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269676432 373629451 /nfs/dbraw/zinc/62/94/51/373629451.db2.gz WQKCXUWYJDSBJN-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO CCC[N@H+](CC(=O)NC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269676432 373629457 /nfs/dbraw/zinc/62/94/57/373629457.db2.gz WQKCXUWYJDSBJN-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000225403253 374296936 /nfs/dbraw/zinc/29/69/36/374296936.db2.gz RRKMGSZRNLSUQH-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000423445890 374382989 /nfs/dbraw/zinc/38/29/89/374382989.db2.gz YFAOKCUIIFPVSU-OJROKELRSA-N 1 1 291.355 1.082 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426457690 374468795 /nfs/dbraw/zinc/46/87/95/374468795.db2.gz YVCWGLXCFAXWNH-UWVGGRQHSA-N 1 1 250.302 1.703 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377503917 374605469 /nfs/dbraw/zinc/60/54/69/374605469.db2.gz GWDUANYQLKLCKN-JTQLQIEISA-N 1 1 293.323 1.301 20 5 CDBDMO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460282 374673608 /nfs/dbraw/zinc/67/36/08/374673608.db2.gz KHOGRKSBLIVVKG-LBPRGKRZSA-N 1 1 293.371 1.428 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783041 374750188 /nfs/dbraw/zinc/75/01/88/374750188.db2.gz FIMWFCLBMUNHDO-JQWIXIFHSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783041 374750195 /nfs/dbraw/zinc/75/01/95/374750195.db2.gz FIMWFCLBMUNHDO-JQWIXIFHSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783241 374751225 /nfs/dbraw/zinc/75/12/25/374751225.db2.gz FIMWFCLBMUNHDO-CMPLNLGQSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783241 374751232 /nfs/dbraw/zinc/75/12/32/374751232.db2.gz FIMWFCLBMUNHDO-CMPLNLGQSA-N 1 1 280.328 1.429 20 5 CDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000449385996 374805663 /nfs/dbraw/zinc/80/56/63/374805663.db2.gz HAMOWPCATMXQRQ-OAHLLOKOSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000449385996 374805668 /nfs/dbraw/zinc/80/56/68/374805668.db2.gz HAMOWPCATMXQRQ-OAHLLOKOSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000449388607 374806620 /nfs/dbraw/zinc/80/66/20/374806620.db2.gz PMNORGZRSCMKHW-CQSZACIVSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449388607 374806625 /nfs/dbraw/zinc/80/66/25/374806625.db2.gz PMNORGZRSCMKHW-CQSZACIVSA-N 1 1 293.367 1.531 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000277878898 374820917 /nfs/dbraw/zinc/82/09/17/374820917.db2.gz VXKQJGUYIAHHII-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000277913213 374822480 /nfs/dbraw/zinc/82/24/80/374822480.db2.gz MPOVILYSBADGOA-LLVKDONJSA-N 1 1 293.323 1.935 20 5 CDBDMO COCC[N@@H+](C)CCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000277115236 374772519 /nfs/dbraw/zinc/77/25/19/374772519.db2.gz NOBQAEZDJXQWMA-UHFFFAOYSA-N 1 1 297.355 1.984 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000131322901 375223590 /nfs/dbraw/zinc/22/35/90/375223590.db2.gz AIPAMIJVUWPDBX-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000131322901 375223596 /nfs/dbraw/zinc/22/35/96/375223596.db2.gz AIPAMIJVUWPDBX-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO CC(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304391967 375443842 /nfs/dbraw/zinc/44/38/42/375443842.db2.gz NFQUZXGZCGHSAP-TZMCWYRMSA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@@H](C1CCC1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034808 375877233 /nfs/dbraw/zinc/87/72/33/375877233.db2.gz JHICATZRYJFNIW-GWCFXTLKSA-N 1 1 282.344 1.273 20 5 CDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264474117 190112762 /nfs/dbraw/zinc/11/27/62/190112762.db2.gz GRZFDTBMOYFSMS-SNVBAGLBSA-N 1 1 299.352 1.107 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000174504642 379513877 /nfs/dbraw/zinc/51/38/77/379513877.db2.gz CXPIMVMFYOSQKC-SNVBAGLBSA-N 1 1 281.312 1.602 20 5 CDBDMO CC(C)(C)C[N@@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174852873 379591537 /nfs/dbraw/zinc/59/15/37/379591537.db2.gz CKJCKUIAIAPWLE-UHFFFAOYSA-N 1 1 284.360 1.522 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450268698 251201812 /nfs/dbraw/zinc/20/18/12/251201812.db2.gz HYXLGXIOJZSCSA-SNVBAGLBSA-N 1 1 265.317 1.589 20 5 CDBDMO Cc1nc(N(C)C[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450313208 251218049 /nfs/dbraw/zinc/21/80/49/251218049.db2.gz KMICEUIGYRMERQ-JTQLQIEISA-N 1 1 265.317 1.081 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000160388679 285123532 /nfs/dbraw/zinc/12/35/32/285123532.db2.gz HRRCIQRPAKOOSE-CYBMUJFWSA-N 1 1 292.339 1.291 20 5 CDBDMO O=C1N[C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281399989 195227181 /nfs/dbraw/zinc/22/71/81/195227181.db2.gz XKCDDYBEYQNCDC-ZJUUUORDSA-N 1 1 297.336 1.587 20 5 CDBDMO O=C1N[C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281399989 195227184 /nfs/dbraw/zinc/22/71/84/195227184.db2.gz XKCDDYBEYQNCDC-ZJUUUORDSA-N 1 1 297.336 1.587 20 5 CDBDMO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105790723 390519682 /nfs/dbraw/zinc/51/96/82/390519682.db2.gz VOFDECWERPDPMP-OLZOCXBDSA-N 1 1 293.367 1.876 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CC)c1 ZINC000284104643 390577716 /nfs/dbraw/zinc/57/77/16/390577716.db2.gz TZHIQPNTPFHVJB-UHFFFAOYSA-N 1 1 295.339 1.675 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1C[NH2+]CCO1 ZINC000415091914 391014476 /nfs/dbraw/zinc/01/44/76/391014476.db2.gz DLYHQJSEOQURBX-HSBHDXMMSA-N 1 1 277.324 1.186 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411917510 390968731 /nfs/dbraw/zinc/96/87/31/390968731.db2.gz COHIILPNJXMMAF-SRVKXCTJSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343480457 391634049 /nfs/dbraw/zinc/63/40/49/391634049.db2.gz RHZVHTGSZSBHMZ-ONGXEEELSA-N 1 1 292.339 1.588 20 5 CDBDMO COc1cccc(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000192569620 391683207 /nfs/dbraw/zinc/68/32/07/391683207.db2.gz LJTLTIXDGGRZAM-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO CC[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000574050597 391731194 /nfs/dbraw/zinc/73/11/94/391731194.db2.gz QANWUZAYDHGDAH-LLVKDONJSA-N 1 1 298.318 1.022 20 5 CDBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189739052 130018022 /nfs/dbraw/zinc/01/80/22/130018022.db2.gz RCWCPIRHAWWVRJ-SMDDNHRTSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000412046294 391827743 /nfs/dbraw/zinc/82/77/43/391827743.db2.gz ZOLYSRMGNWSCIX-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000412046294 391827745 /nfs/dbraw/zinc/82/77/45/391827745.db2.gz ZOLYSRMGNWSCIX-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408365449 392007012 /nfs/dbraw/zinc/00/70/12/392007012.db2.gz QUOUKCNTJPTFQY-SECBINFHSA-N 1 1 270.358 1.656 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408365449 392007014 /nfs/dbraw/zinc/00/70/14/392007014.db2.gz QUOUKCNTJPTFQY-SECBINFHSA-N 1 1 270.358 1.656 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596834 392017022 /nfs/dbraw/zinc/01/70/22/392017022.db2.gz IUXPNDVFEDICTP-QWRGUYRKSA-N 1 1 293.323 1.744 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000263733553 131318786 /nfs/dbraw/zinc/31/87/86/131318786.db2.gz MFOHKKMPAXWBOG-LLVKDONJSA-N 1 1 293.323 1.314 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000525291961 392925666 /nfs/dbraw/zinc/92/56/66/392925666.db2.gz UZCDQOWVDMMHMH-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421008618 392926058 /nfs/dbraw/zinc/92/60/58/392926058.db2.gz DLQBCSFKZCKCDP-LBPRGKRZSA-N 1 1 282.344 1.276 20 5 CDBDMO Cc1nc(NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268500324 132018170 /nfs/dbraw/zinc/01/81/70/132018170.db2.gz QCDAVPOUUICWPL-LLVKDONJSA-N 1 1 293.371 1.346 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000429627530 393085004 /nfs/dbraw/zinc/08/50/04/393085004.db2.gz NZMRTFOMQNZEKB-SECBINFHSA-N 1 1 283.332 1.072 20 5 CDBDMO [NH3+]C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430656776 393104668 /nfs/dbraw/zinc/10/46/68/393104668.db2.gz UUAGGKLKNHMPFN-UHFFFAOYSA-N 1 1 292.339 1.347 20 5 CDBDMO Cc1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278823753 393142524 /nfs/dbraw/zinc/14/25/24/393142524.db2.gz UGJLRBIMPOFDNM-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196756 135104293 /nfs/dbraw/zinc/10/42/93/135104293.db2.gz AIUIVIZJILYMRI-RYUDHWBXSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275427239 135106938 /nfs/dbraw/zinc/10/69/38/135106938.db2.gz UXCTZGKCQZLGCI-GHMZBOCLSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275427239 135106940 /nfs/dbraw/zinc/10/69/40/135106940.db2.gz UXCTZGKCQZLGCI-GHMZBOCLSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1 ZINC000423197385 397602255 /nfs/dbraw/zinc/60/22/55/397602255.db2.gz ZERNPAOSDGRJKV-YPMHNXCESA-N 1 1 263.341 1.867 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000314933884 149257273 /nfs/dbraw/zinc/25/72/73/149257273.db2.gz LZARPQRYKFQMRL-JTQLQIEISA-N 1 1 294.355 1.636 20 5 CDBDMO C[NH+]1CCC(O)(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350292625 154362210 /nfs/dbraw/zinc/36/22/10/154362210.db2.gz YKVPXOFKSZHTCH-UHFFFAOYSA-N 1 1 297.330 1.280 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000375349783 160371297 /nfs/dbraw/zinc/37/12/97/160371297.db2.gz PNLUCERHWHNKMZ-NEPJUHHUSA-N 1 1 280.328 1.435 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375356530 160372594 /nfs/dbraw/zinc/37/25/94/160372594.db2.gz RCHXHVCVZQMCKV-CHWSQXEVSA-N 1 1 280.328 1.435 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1CO ZINC000355803185 157244772 /nfs/dbraw/zinc/24/47/72/157244772.db2.gz VEVUCNOVSWDJJG-VIFPVBQESA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1CO ZINC000355803185 157244773 /nfs/dbraw/zinc/24/47/73/157244773.db2.gz VEVUCNOVSWDJJG-VIFPVBQESA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086140 159066402 /nfs/dbraw/zinc/06/64/02/159066402.db2.gz IEEOCHHDEBDUGS-VXGBXAGGSA-N 1 1 280.324 1.534 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178031 274343480 /nfs/dbraw/zinc/34/34/80/274343480.db2.gz SAYZXCVHJIPVTD-SKDRFNHKSA-N 1 1 262.313 1.884 20 5 CDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252666698 275039231 /nfs/dbraw/zinc/03/92/31/275039231.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252666698 275039232 /nfs/dbraw/zinc/03/92/32/275039232.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 1 1 291.351 1.548 20 5 CDBDMO Cc1c(CNC(=O)[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000556729586 290289319 /nfs/dbraw/zinc/28/93/19/290289319.db2.gz GQTDQPCLFPKTKY-LBPRGKRZSA-N 1 1 277.324 1.471 20 5 CDBDMO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000568770766 294100066 /nfs/dbraw/zinc/10/00/66/294100066.db2.gz PKBDQZNLBFCOIN-ZJUUUORDSA-N 1 1 295.343 1.311 20 5 CDBDMO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000568770765 294100090 /nfs/dbraw/zinc/10/00/90/294100090.db2.gz PKBDQZNLBFCOIN-VHSXEESVSA-N 1 1 295.343 1.311 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122170 323382707 /nfs/dbraw/zinc/38/27/07/323382707.db2.gz KSGJAMAUXNEQMV-WLRWDXFRSA-N 1 1 284.381 1.836 20 5 CDBDMO Nc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000169115070 1159276531 /nfs/dbraw/zinc/27/65/31/1159276531.db2.gz JWQFRCYOGSMRAM-UHFFFAOYSA-N 1 1 259.269 1.622 20 5 CDBDMO Nc1cc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000169115070 1159276532 /nfs/dbraw/zinc/27/65/32/1159276532.db2.gz JWQFRCYOGSMRAM-UHFFFAOYSA-N 1 1 259.269 1.622 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158079289 527414515 /nfs/dbraw/zinc/41/45/15/527414515.db2.gz XTVRWZLVQNCFOZ-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158079289 527414522 /nfs/dbraw/zinc/41/45/22/527414522.db2.gz XTVRWZLVQNCFOZ-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000291573658 527990504 /nfs/dbraw/zinc/99/05/04/527990504.db2.gz PHNJBJMDVKRNBR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000291573658 527990510 /nfs/dbraw/zinc/99/05/10/527990510.db2.gz PHNJBJMDVKRNBR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000291573658 527990514 /nfs/dbraw/zinc/99/05/14/527990514.db2.gz PHNJBJMDVKRNBR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000761080665 576544690 /nfs/dbraw/zinc/54/46/90/576544690.db2.gz VCQDYLNMKLOCOV-LBPRGKRZSA-N 1 1 279.340 1.610 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743405760 576638753 /nfs/dbraw/zinc/63/87/53/576638753.db2.gz OYJWTSYTRWTSJF-UHFFFAOYSA-N 1 1 266.301 1.251 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743405760 576638755 /nfs/dbraw/zinc/63/87/55/576638755.db2.gz OYJWTSYTRWTSJF-UHFFFAOYSA-N 1 1 266.301 1.251 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835271 575390062 /nfs/dbraw/zinc/39/00/62/575390062.db2.gz RFGCSCWHYKFZAG-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000734835271 575390065 /nfs/dbraw/zinc/39/00/65/575390065.db2.gz RFGCSCWHYKFZAG-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO C[C@@H]1[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000771463806 575581454 /nfs/dbraw/zinc/58/14/54/575581454.db2.gz ZKSZMMDTSCRQED-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761078300 576543963 /nfs/dbraw/zinc/54/39/63/576543963.db2.gz BKFXMJMYPJLLCC-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078300 576543965 /nfs/dbraw/zinc/54/39/65/576543965.db2.gz BKFXMJMYPJLLCC-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078300 576543967 /nfs/dbraw/zinc/54/39/67/576543967.db2.gz BKFXMJMYPJLLCC-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000747983805 576891657 /nfs/dbraw/zinc/89/16/57/576891657.db2.gz HWRDTHPLFBDLJX-JTQLQIEISA-N 1 1 292.339 1.262 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000747983805 576891659 /nfs/dbraw/zinc/89/16/59/576891659.db2.gz HWRDTHPLFBDLJX-JTQLQIEISA-N 1 1 292.339 1.262 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000749798969 576963444 /nfs/dbraw/zinc/96/34/44/576963444.db2.gz UWLRMYLMPDPAPL-QWRGUYRKSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000749798969 576963445 /nfs/dbraw/zinc/96/34/45/576963445.db2.gz UWLRMYLMPDPAPL-QWRGUYRKSA-N 1 1 266.301 1.107 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000894728386 619032133 /nfs/dbraw/zinc/03/21/33/619032133.db2.gz HUZZHRPHIXGOOE-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000895192022 619442466 /nfs/dbraw/zinc/44/24/66/619442466.db2.gz WGHYNEXKYDOLFR-CMPLNLGQSA-N 1 1 262.313 1.663 20 5 CDBDMO Cc1cc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ncc1[N+](=O)[O-] ZINC000895192643 619443003 /nfs/dbraw/zinc/44/30/03/619443003.db2.gz JKCYBWBZORGELG-NWDGAFQWSA-N 1 1 276.340 1.971 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000895775473 619839760 /nfs/dbraw/zinc/83/97/60/619839760.db2.gz AZFUTJUYXGTJPL-VIFPVBQESA-N 1 1 261.285 1.359 20 5 CDBDMO COc1cc2c(cc1C[NH2+]CC[N+](=O)[O-])O[C@H](C)C2 ZINC000905183720 626665632 /nfs/dbraw/zinc/66/56/32/626665632.db2.gz UWIVPIRXEMEDBS-SECBINFHSA-N 1 1 266.297 1.385 20 5 CDBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(N2CCCC2)n1 ZINC000905203559 626689907 /nfs/dbraw/zinc/68/99/07/626689907.db2.gz LQFWSKPJTPLMKC-UHFFFAOYSA-N 1 1 264.329 1.357 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905213874 626694840 /nfs/dbraw/zinc/69/48/40/626694840.db2.gz RXLNNDCBCBXBKU-TZMCWYRMSA-N 1 1 263.341 1.373 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905213874 626694841 /nfs/dbraw/zinc/69/48/41/626694841.db2.gz RXLNNDCBCBXBKU-TZMCWYRMSA-N 1 1 263.341 1.373 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910286377 628961753 /nfs/dbraw/zinc/96/17/53/628961753.db2.gz GTBXHERKYIGXSL-SECBINFHSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000910296934 629006533 /nfs/dbraw/zinc/00/65/33/629006533.db2.gz SGFHXXYMFBDJSL-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc([N+](=O)[O-])cn1 ZINC001170513280 1162711847 /nfs/dbraw/zinc/71/18/47/1162711847.db2.gz GKRRWCUXBACMFO-UHFFFAOYSA-N 1 1 292.295 1.212 20 5 CDBDMO CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753188054 1185111169 /nfs/dbraw/zinc/11/11/69/1185111169.db2.gz HIAOPFCHEVZCRR-ZIAGYGMSSA-N 1 1 297.399 1.670 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N)n1 ZINC001164634808 719213256 /nfs/dbraw/zinc/21/32/56/719213256.db2.gz HBDODGNNLLUGEC-RKDXNWHRSA-N 1 1 265.317 1.101 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804429177 739667199 /nfs/dbraw/zinc/66/71/99/739667199.db2.gz GBPURIFMPYPICG-SECBINFHSA-N 1 1 280.284 1.867 20 5 CDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931997625 739803527 /nfs/dbraw/zinc/80/35/27/739803527.db2.gz LPIRDUIQHZEXHG-SNVBAGLBSA-N 1 1 294.307 1.495 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000815296933 739857924 /nfs/dbraw/zinc/85/79/24/739857924.db2.gz INKFRDKHEFWGNC-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000832783334 739882063 /nfs/dbraw/zinc/88/20/63/739882063.db2.gz QCJGMHNVAQHELX-IUODEOHRSA-N 1 1 294.351 1.723 20 5 CDBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886315658 740395582 /nfs/dbraw/zinc/39/55/82/740395582.db2.gz WIUIHCZGZLQHSG-LLVKDONJSA-N 1 1 265.313 1.583 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037321 740523292 /nfs/dbraw/zinc/52/32/92/740523292.db2.gz RZYOKAYXXCKWHS-TZMCWYRMSA-N 1 1 280.324 1.078 20 5 CDBDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930383046 740664357 /nfs/dbraw/zinc/66/43/57/740664357.db2.gz YZWNTKLOGUWYHS-SNVBAGLBSA-N 1 1 286.353 1.408 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877535555 740724097 /nfs/dbraw/zinc/72/40/97/740724097.db2.gz PVOYXIWUCBDDEO-LBPRGKRZSA-N 1 1 291.351 1.909 20 5 CDBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000712554902 740837101 /nfs/dbraw/zinc/83/71/01/740837101.db2.gz DSRPCGDPXUWALE-JTQLQIEISA-N 1 1 278.312 1.070 20 5 CDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886202917 740892168 /nfs/dbraw/zinc/89/21/68/740892168.db2.gz HYCIKEHARFWAPE-MEBFFEOJSA-N 1 1 289.335 1.845 20 5 CDBDMO CC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031502591 740967201 /nfs/dbraw/zinc/96/72/01/740967201.db2.gz CCOOTBDNJXZNGO-UHFFFAOYSA-N 1 1 263.297 1.163 20 5 CDBDMO [NH3+]CC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352272 741039393 /nfs/dbraw/zinc/03/93/93/741039393.db2.gz CLJGQGAHWFQEQJ-UKRRQHHQSA-N 1 1 293.367 1.832 20 5 CDBDMO COC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000886862043 741204586 /nfs/dbraw/zinc/20/45/86/741204586.db2.gz WBTHETCYGQRTFR-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000886862043 741204601 /nfs/dbraw/zinc/20/46/01/741204601.db2.gz WBTHETCYGQRTFR-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020746 741605691 /nfs/dbraw/zinc/60/56/91/741605691.db2.gz VATRUQARXMDXNT-MFKMUULPSA-N 1 1 282.340 1.719 20 5 CDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000930377377 741615162 /nfs/dbraw/zinc/61/51/62/741615162.db2.gz SSQMYWAPNPJOJK-CQSZACIVSA-N 1 1 263.341 1.122 20 5 CDBDMO CNC(=O)C1C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877581443 741865655 /nfs/dbraw/zinc/86/56/55/741865655.db2.gz DRPLGXMQXFNLCJ-UHFFFAOYSA-N 1 1 277.324 1.389 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000842622580 742061614 /nfs/dbraw/zinc/06/16/14/742061614.db2.gz AGLOGIIPQAHRFM-PWSUYJOCSA-N 1 1 266.301 1.168 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000842622580 742061623 /nfs/dbraw/zinc/06/16/23/742061623.db2.gz AGLOGIIPQAHRFM-PWSUYJOCSA-N 1 1 266.301 1.168 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178553 742080434 /nfs/dbraw/zinc/08/04/34/742080434.db2.gz PMZHJRLVKZHUGO-BXUZGUMPSA-N 1 1 281.356 1.558 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048336219 742373375 /nfs/dbraw/zinc/37/33/75/742373375.db2.gz MWVUDESJNCJUJL-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451292 739569600 /nfs/dbraw/zinc/56/96/00/739569600.db2.gz SHKFKROQZNNEAF-GWCFXTLKSA-N 1 1 268.313 1.331 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000178774546 739737027 /nfs/dbraw/zinc/73/70/27/739737027.db2.gz VHQXBDMMKUIFKL-NSHDSACASA-N 1 1 296.327 1.393 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000178774546 739737036 /nfs/dbraw/zinc/73/70/36/739737036.db2.gz VHQXBDMMKUIFKL-NSHDSACASA-N 1 1 296.327 1.393 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000776581916 739788998 /nfs/dbraw/zinc/78/89/98/739788998.db2.gz IZAGULXSLXADLU-IUODEOHRSA-N 1 1 294.351 1.723 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOC2CC2)CC1 ZINC000929245943 740046571 /nfs/dbraw/zinc/04/65/71/740046571.db2.gz BKCNHUJXWVAGDE-UHFFFAOYSA-N 1 1 291.351 1.896 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715378 740207415 /nfs/dbraw/zinc/20/74/15/740207415.db2.gz ZCAHPVXFJIANJJ-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791055387 740334269 /nfs/dbraw/zinc/33/42/69/740334269.db2.gz SXWOLBDDSVSJSR-VIFPVBQESA-N 1 1 253.258 1.831 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000840092390 740609673 /nfs/dbraw/zinc/60/96/73/740609673.db2.gz VGXZTGVJRPHJRN-NSHDSACASA-N 1 1 267.333 1.083 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864442762 740636772 /nfs/dbraw/zinc/63/67/72/740636772.db2.gz QZPBGQVLTOFGMR-UHFFFAOYSA-N 1 1 295.314 1.441 20 5 CDBDMO C[N@H+](CCOc1cccc(Cl)c1)CC[N+](=O)[O-] ZINC000791053333 740642641 /nfs/dbraw/zinc/64/26/41/740642641.db2.gz LBPFQWAGFCJJAS-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO C[N@@H+](CCOc1cccc(Cl)c1)CC[N+](=O)[O-] ZINC000791053333 740642654 /nfs/dbraw/zinc/64/26/54/740642654.db2.gz LBPFQWAGFCJJAS-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000933861611 740762422 /nfs/dbraw/zinc/76/24/22/740762422.db2.gz DKHIGTMYPFXJCA-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO CCN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948091 741080664 /nfs/dbraw/zinc/08/06/64/741080664.db2.gz XXCGJFQDIYUYSX-LBPRGKRZSA-N 1 1 251.286 1.247 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)C1 ZINC000832869931 741081802 /nfs/dbraw/zinc/08/18/02/741081802.db2.gz AIMSHMSROPGSNK-OAHLLOKOSA-N 1 1 297.399 1.766 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)C1CC1 ZINC000886014326 741428129 /nfs/dbraw/zinc/42/81/29/741428129.db2.gz FCOXKSMBUXWYBQ-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCCO)C1CC1 ZINC000886014326 741428134 /nfs/dbraw/zinc/42/81/34/741428134.db2.gz FCOXKSMBUXWYBQ-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842326144 741667549 /nfs/dbraw/zinc/66/75/49/741667549.db2.gz GLKQCWAQWAQMOR-RAIGVLPGSA-N 1 1 294.307 1.452 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397727 741979210 /nfs/dbraw/zinc/97/92/10/741979210.db2.gz DDOGDADOQBFEHF-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO CSC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000131007169 742202669 /nfs/dbraw/zinc/20/26/69/742202669.db2.gz VPVPETKXGPDROP-SECBINFHSA-N 1 1 256.331 1.576 20 5 CDBDMO CSC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000131007169 742202692 /nfs/dbraw/zinc/20/26/92/742202692.db2.gz VPVPETKXGPDROP-SECBINFHSA-N 1 1 256.331 1.576 20 5 CDBDMO CC(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000839524710 742263400 /nfs/dbraw/zinc/26/34/00/742263400.db2.gz IXXJMXRSZTZVKL-MGPQQGTHSA-N 1 1 297.399 1.524 20 5 CDBDMO CN1C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000931762109 742496561 /nfs/dbraw/zinc/49/65/61/742496561.db2.gz JOVVGAHDVNLNEG-WCQYABFASA-N 1 1 299.277 1.103 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000832781253 742541226 /nfs/dbraw/zinc/54/12/26/742541226.db2.gz AIMDAXALYIWMIM-SWLSCSKDSA-N 1 1 294.351 1.723 20 5 CDBDMO Cc1noc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000851805736 742659235 /nfs/dbraw/zinc/65/92/35/742659235.db2.gz FKGHDHKTKJSYHB-UHFFFAOYSA-N 1 1 292.299 1.389 20 5 CDBDMO O=[N+]([O-])c1ccsc1N1CC[NH+](CCCCO)CC1 ZINC000775679317 742821577 /nfs/dbraw/zinc/82/15/77/742821577.db2.gz WPRQPFJKUISQDG-UHFFFAOYSA-N 1 1 285.369 1.551 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncon1 ZINC001173210380 912332522 /nfs/dbraw/zinc/33/25/22/912332522.db2.gz KCQGVZHXRNIPSS-SECBINFHSA-N 1 1 262.269 1.699 20 5 CDBDMO O=[N+]([O-])c1cc(N2CCc3[nH+]ccn3CC2)nc2[nH]ccc21 ZINC001167181134 894819900 /nfs/dbraw/zinc/81/99/00/894819900.db2.gz VJOFMKMLXUNLBM-UHFFFAOYSA-N 1 1 298.306 1.730 20 5 CDBDMO COc1nc(C)c(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278233 895028022 /nfs/dbraw/zinc/02/80/22/895028022.db2.gz CYRAEPBEXUYCGR-VIFPVBQESA-N 1 1 266.301 1.423 20 5 CDBDMO COc1cc(NC2C[NH+](C(C)C)C2)cnc1[N+](=O)[O-] ZINC001168313930 908983910 /nfs/dbraw/zinc/98/39/10/908983910.db2.gz GOCDTVGWZDOTPQ-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644647 922701303 /nfs/dbraw/zinc/70/13/03/922701303.db2.gz KBFDGSGVXUYXRI-DDHJBXDOSA-N 1 1 269.345 1.077 20 5 CDBDMO CC[N@H+]1CCCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001163775250 924187750 /nfs/dbraw/zinc/18/77/50/924187750.db2.gz VXHUICLGIUELQC-UHFFFAOYSA-N 1 1 294.355 1.839 20 5 CDBDMO CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195770134 924715200 /nfs/dbraw/zinc/71/52/00/924715200.db2.gz QAENZMAOJJAFPJ-ZIAGYGMSSA-N 1 1 297.399 1.766 20 5 CDBDMO CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195770134 924715204 /nfs/dbraw/zinc/71/52/04/924715204.db2.gz QAENZMAOJJAFPJ-ZIAGYGMSSA-N 1 1 297.399 1.766 20 5 CDBDMO CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195770134 924715209 /nfs/dbraw/zinc/71/52/09/924715209.db2.gz QAENZMAOJJAFPJ-ZIAGYGMSSA-N 1 1 297.399 1.766 20 5 CDBDMO CCCCCOC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169004909 927609177 /nfs/dbraw/zinc/60/91/77/927609177.db2.gz RYRSLPHYCKWSBE-NEPJUHHUSA-N 1 1 272.345 1.755 20 5 CDBDMO CN1CCC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007973 927610886 /nfs/dbraw/zinc/61/08/86/927610886.db2.gz QBZSUBUZSNKNAP-WCQYABFASA-N 1 1 255.362 1.458 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011972 927616625 /nfs/dbraw/zinc/61/66/25/927616625.db2.gz OCHAYBXDCCZFEC-GMXVVIOVSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(CO)ccc3C2)C1 ZINC001169011266 927616895 /nfs/dbraw/zinc/61/68/95/927616895.db2.gz JAVRGBSVGWXWPO-WBMJQRKESA-N 1 1 290.363 1.982 20 5 CDBDMO CCCC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168986805 927622768 /nfs/dbraw/zinc/62/27/68/927622768.db2.gz ZRKULWNEZMZYBL-SDDRHHMPSA-N 1 1 272.345 1.753 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cccnc3C2)C1 ZINC001169036128 927644207 /nfs/dbraw/zinc/64/42/07/927644207.db2.gz FMCPCMIGELUMDY-AAEUAGOBSA-N 1 1 261.325 1.885 20 5 CDBDMO CCN(CC)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036490 927644253 /nfs/dbraw/zinc/64/42/53/927644253.db2.gz GBSHLYWVUQCONX-BFHYXJOUSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169036490 927644263 /nfs/dbraw/zinc/64/42/63/927644263.db2.gz GBSHLYWVUQCONX-BFHYXJOUSA-N 1 1 269.389 1.848 20 5 CDBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051959 927668634 /nfs/dbraw/zinc/66/86/34/927668634.db2.gz DRFBSQOGDMWBCP-BFHYXJOUSA-N 1 1 297.399 1.668 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156645530 928871575 /nfs/dbraw/zinc/87/15/75/928871575.db2.gz ABCKNIKVDHBPIH-LLVKDONJSA-N 1 1 259.269 1.294 20 5 CDBDMO Cc1c(N[C@@H](N)CCC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170899038 930696528 /nfs/dbraw/zinc/69/65/28/930696528.db2.gz HAWQUZVKAWGDKO-SNVBAGLBSA-N 1 1 283.288 1.247 20 5 CDBDMO Cc1c(N[C@@H](N)CCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170899660 930697564 /nfs/dbraw/zinc/69/75/64/930697564.db2.gz KUEUJDVFSNKHIJ-LLVKDONJSA-N 1 1 256.281 1.478 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000885983806 930782732 /nfs/dbraw/zinc/78/27/32/930782732.db2.gz PVLUKBUFMBEUKZ-LBPRGKRZSA-N 1 1 293.323 1.575 20 5 CDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318011 930858418 /nfs/dbraw/zinc/85/84/18/930858418.db2.gz HJQFXTZFWUTMTF-NEPJUHHUSA-N 1 1 281.312 1.226 20 5 CDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318011 930858420 /nfs/dbraw/zinc/85/84/20/930858420.db2.gz HJQFXTZFWUTMTF-NEPJUHHUSA-N 1 1 281.312 1.226 20 5 CDBDMO CS[C@H]1CC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271126 931771250 /nfs/dbraw/zinc/77/12/50/931771250.db2.gz YUSAUOYWROZYSF-ONGXEEELSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@H]1CC[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271126 931771254 /nfs/dbraw/zinc/77/12/54/931771254.db2.gz YUSAUOYWROZYSF-ONGXEEELSA-N 1 1 270.358 1.965 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001154945691 937610492 /nfs/dbraw/zinc/61/04/92/937610492.db2.gz OPFGTNYAUCRWOP-GXFFZTMASA-N 1 1 277.324 1.866 20 5 CDBDMO CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001154945691 937610493 /nfs/dbraw/zinc/61/04/93/937610493.db2.gz OPFGTNYAUCRWOP-GXFFZTMASA-N 1 1 277.324 1.866 20 5 CDBDMO CC(C)([NH2+]CC[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000930150178 933326437 /nfs/dbraw/zinc/32/64/37/933326437.db2.gz DMPJWEUQPORMBI-UHFFFAOYSA-N 1 1 271.361 1.328 20 5 CDBDMO C[N@H+]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591662 938390521 /nfs/dbraw/zinc/39/05/21/938390521.db2.gz XSJAWRABZZSRHS-LLVKDONJSA-N 1 1 292.339 1.247 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001157266057 938471675 /nfs/dbraw/zinc/47/16/75/938471675.db2.gz NHWGVIKLTZQEDP-SKDRFNHKSA-N 1 1 280.303 1.659 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001157270878 938473930 /nfs/dbraw/zinc/47/39/30/938473930.db2.gz GMGTXMJVSDVRJC-YPMHNXCESA-N 1 1 292.339 1.067 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]2C1 ZINC001157692336 938533188 /nfs/dbraw/zinc/53/31/88/938533188.db2.gz QANAFFFVGMBAOC-PHIMTYICSA-N 1 1 291.355 1.350 20 5 CDBDMO CC[N@H+]1CCN(c2ncc(OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158562655 938637372 /nfs/dbraw/zinc/63/73/72/938637372.db2.gz GCAKJHCTDZVCDQ-UHFFFAOYSA-N 1 1 294.355 1.919 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001161176810 938878074 /nfs/dbraw/zinc/87/80/74/938878074.db2.gz FOJSZCPFMSZDJZ-NSHDSACASA-N 1 1 292.339 1.575 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2cccc([N+](=O)[O-])n2)C1 ZINC001162342946 939031873 /nfs/dbraw/zinc/03/18/73/939031873.db2.gz XUFDYXSUGLCLLO-GFCCVEGCSA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc1Cl ZINC001165146121 939517568 /nfs/dbraw/zinc/51/75/68/939517568.db2.gz BNAHNVJVHUQEIQ-AOOOYVTPSA-N 1 1 296.758 1.949 20 5 CDBDMO C[C@@H](CCO)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001165966148 939587691 /nfs/dbraw/zinc/58/76/91/939587691.db2.gz JLSGFRZQOQVGLH-JTQLQIEISA-N 1 1 279.340 1.766 20 5 CDBDMO C[C@@H](CCO)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001165966148 939587692 /nfs/dbraw/zinc/58/76/92/939587692.db2.gz JLSGFRZQOQVGLH-JTQLQIEISA-N 1 1 279.340 1.766 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001225448123 941860505 /nfs/dbraw/zinc/86/05/05/941860505.db2.gz OLQQODQMIHXJMV-SNVBAGLBSA-N 1 1 280.280 1.464 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734561 942060454 /nfs/dbraw/zinc/06/04/54/942060454.db2.gz YPOBJSZWVGOECB-JTQLQIEISA-N 1 1 252.274 1.246 20 5 CDBDMO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001227697273 942206480 /nfs/dbraw/zinc/20/64/80/942206480.db2.gz OMHAAOPYDPIUAZ-VIFPVBQESA-N 1 1 252.270 1.686 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cncc([N+](=O)[O-])c2)C1 ZINC001227990687 942253440 /nfs/dbraw/zinc/25/34/40/942253440.db2.gz OWHKWIXOHBOVPX-LLVKDONJSA-N 1 1 267.285 1.089 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001231263839 942838156 /nfs/dbraw/zinc/83/81/56/942838156.db2.gz MUYNUDFPJOHPNS-VIFPVBQESA-O 1 1 270.309 1.477 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001254552259 947522204 /nfs/dbraw/zinc/52/22/04/947522204.db2.gz JNDDNKONRFOAED-ZLDLUXBVSA-N 1 1 294.351 1.201 20 5 CDBDMO Cc1nnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001254584774 947540944 /nfs/dbraw/zinc/54/09/44/947540944.db2.gz AASQFENHWNBNRO-LLVKDONJSA-N 1 1 274.280 1.543 20 5 CDBDMO C[C@]1(O)COCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592074 947542771 /nfs/dbraw/zinc/54/27/71/947542771.db2.gz AERVCTRNOBYLDK-HUUCEWRRSA-N 1 1 292.335 1.145 20 5 CDBDMO CC[N@@H+](CCC(N)=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599971 947550816 /nfs/dbraw/zinc/55/08/16/947550816.db2.gz NKNIQPJFJXGQNV-ZDUSSCGKSA-N 1 1 277.324 1.259 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)NC1 ZINC001246106481 947957875 /nfs/dbraw/zinc/95/78/75/947957875.db2.gz QCYJPAKSNRCRQV-FVCCEPFGSA-N 1 1 255.362 1.410 20 5 CDBDMO CC[C@H]([NH3+])CN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315893 948102555 /nfs/dbraw/zinc/10/25/55/948102555.db2.gz XGXNQTDOJNGGKX-PWSUYJOCSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315893 948102559 /nfs/dbraw/zinc/10/25/59/948102559.db2.gz XGXNQTDOJNGGKX-PWSUYJOCSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[N@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307457242 956409297 /nfs/dbraw/zinc/40/92/97/956409297.db2.gz TXKGAPYDKXJGPG-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO CC[N@@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001307457242 956409309 /nfs/dbraw/zinc/40/93/09/956409309.db2.gz TXKGAPYDKXJGPG-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CC[C@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001330933459 956712143 /nfs/dbraw/zinc/71/21/43/956712143.db2.gz DJDWYJXFXQFCAW-YGRLFVJLSA-N 1 1 295.314 1.587 20 5 CDBDMO Cc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001343445179 963987181 /nfs/dbraw/zinc/98/71/81/963987181.db2.gz YUEKMZULNGIRKJ-VIFPVBQESA-N 1 1 290.279 1.398 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601163618 342484833 /nfs/dbraw/zinc/48/48/33/342484833.db2.gz MVZHRADKDPXNFQ-SECBINFHSA-N 1 1 281.287 1.558 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000601154764 342483662 /nfs/dbraw/zinc/48/36/62/342483662.db2.gz WJQJDQMAGUDASM-DTORHVGOSA-N 1 1 266.276 1.127 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005413 342519074 /nfs/dbraw/zinc/51/90/74/342519074.db2.gz OFZUFQYKRLIICA-JZYVYDRUSA-N 1 1 266.272 1.404 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005413 342519075 /nfs/dbraw/zinc/51/90/75/342519075.db2.gz OFZUFQYKRLIICA-JZYVYDRUSA-N 1 1 266.272 1.404 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266178 342547071 /nfs/dbraw/zinc/54/70/71/342547071.db2.gz KKYAOYPSOGSCJV-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000533495188 282125328 /nfs/dbraw/zinc/12/53/28/282125328.db2.gz ANJWYSQMJDVYAT-UHFFFAOYSA-N 1 1 252.318 1.949 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000312781122 342139241 /nfs/dbraw/zinc/13/92/41/342139241.db2.gz FWBNOEITDNEYHG-CMPLNLGQSA-N 1 1 282.344 1.335 20 5 CDBDMO CC(C)(C(=O)NCc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000340582746 361853988 /nfs/dbraw/zinc/85/39/88/361853988.db2.gz BJDOUEJBDQTCMR-UHFFFAOYSA-N 1 1 288.307 1.912 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109508 342769334 /nfs/dbraw/zinc/76/93/34/342769334.db2.gz ZHMMGTGDUYYDRD-NWDGAFQWSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593694412 342824169 /nfs/dbraw/zinc/82/41/69/342824169.db2.gz MCGQEJDRGRXFQL-SNVBAGLBSA-N 1 1 296.323 1.569 20 5 CDBDMO C[C@H](O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159516971 361995067 /nfs/dbraw/zinc/99/50/67/361995067.db2.gz MIJYUAUDTXEEGV-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053750 342872849 /nfs/dbraw/zinc/87/28/49/342872849.db2.gz AHFYSZKYAQIOJD-LLVKDONJSA-N 1 1 280.324 1.819 20 5 CDBDMO CC[N@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600718359 342244524 /nfs/dbraw/zinc/24/45/24/342244524.db2.gz WWAOCIDUPDABND-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO CC[N@@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600718359 342244525 /nfs/dbraw/zinc/24/45/25/342244525.db2.gz WWAOCIDUPDABND-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384252 342267961 /nfs/dbraw/zinc/26/79/61/342267961.db2.gz AUGPKYGADVZGFR-JTQLQIEISA-N 1 1 265.317 1.225 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594715032 342946833 /nfs/dbraw/zinc/94/68/33/342946833.db2.gz XHLUWGTWVDZQQM-LLVKDONJSA-N 1 1 282.344 1.370 20 5 CDBDMO CN(C)CC[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000075669285 342314266 /nfs/dbraw/zinc/31/42/66/342314266.db2.gz NABUTJWLMOCWDT-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO O=C(C[N@@H+](CCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000404311908 346918041 /nfs/dbraw/zinc/91/80/41/346918041.db2.gz PSWQAICPQLUKCE-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO O=C(C[N@H+](CCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000404311908 346918044 /nfs/dbraw/zinc/91/80/44/346918044.db2.gz PSWQAICPQLUKCE-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318151 343034352 /nfs/dbraw/zinc/03/43/52/343034352.db2.gz SAYAKXKPPGQQFE-NSHDSACASA-N 1 1 295.314 1.692 20 5 CDBDMO CC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595536887 343092147 /nfs/dbraw/zinc/09/21/47/343092147.db2.gz WMBYDKLHKNVERS-GFCCVEGCSA-N 1 1 281.360 1.207 20 5 CDBDMO CCC[C@@]1(CO)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595490886 343076020 /nfs/dbraw/zinc/07/60/20/343076020.db2.gz SMPQCYZZRMTWOB-CYBMUJFWSA-N 1 1 283.328 1.876 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595490886 343076022 /nfs/dbraw/zinc/07/60/22/343076022.db2.gz SMPQCYZZRMTWOB-CYBMUJFWSA-N 1 1 283.328 1.876 20 5 CDBDMO CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595490677 343076146 /nfs/dbraw/zinc/07/61/46/343076146.db2.gz GNTMZXMRJBNBDH-VIFPVBQESA-N 1 1 268.317 1.417 20 5 CDBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453622175 252329059 /nfs/dbraw/zinc/32/90/59/252329059.db2.gz JHENWNDJSMVVIQ-MNOVXSKESA-N 1 1 295.364 1.899 20 5 CDBDMO CN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595782808 343154562 /nfs/dbraw/zinc/15/45/62/343154562.db2.gz MMFBCUTVKUIEIF-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO CN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595782808 343154563 /nfs/dbraw/zinc/15/45/63/343154563.db2.gz MMFBCUTVKUIEIF-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596075734 343226176 /nfs/dbraw/zinc/22/61/76/343226176.db2.gz KAZVCEWZJUEGAP-JTQLQIEISA-N 1 1 280.328 1.839 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142258668 342434751 /nfs/dbraw/zinc/43/47/51/342434751.db2.gz HSUKZIRXQOOQIG-CQSZACIVSA-N 1 1 289.335 1.905 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598343064 343771817 /nfs/dbraw/zinc/77/18/17/343771817.db2.gz QFNOYELEZYBZCE-ZDUSSCGKSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598648520 343857040 /nfs/dbraw/zinc/85/70/40/343857040.db2.gz TYZIEUVPASTERA-PSASIEDQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598648520 343857041 /nfs/dbraw/zinc/85/70/41/343857041.db2.gz TYZIEUVPASTERA-PSASIEDQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000602773755 344577398 /nfs/dbraw/zinc/57/73/98/344577398.db2.gz YIBMCJCZDICQJO-GFCCVEGCSA-N 1 1 264.329 1.974 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000602833392 344614772 /nfs/dbraw/zinc/61/47/72/344614772.db2.gz YRDGAZRLSBEZAM-CYBMUJFWSA-N 1 1 295.387 1.372 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842164 344622298 /nfs/dbraw/zinc/62/22/98/344622298.db2.gz QQQBVYIJACCKCD-AAEUAGOBSA-N 1 1 296.371 1.847 20 5 CDBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000292753053 362502114 /nfs/dbraw/zinc/50/21/14/362502114.db2.gz BKGKMXIAJKABAT-ZDUSSCGKSA-N 1 1 297.330 1.984 20 5 CDBDMO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273241089 192084419 /nfs/dbraw/zinc/08/44/19/192084419.db2.gz YTAXEKUOJPCANP-PHIMTYICSA-N 1 1 295.343 1.296 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293163702 362532970 /nfs/dbraw/zinc/53/29/70/362532970.db2.gz OURBWEIDXGYDJX-ZDUSSCGKSA-N 1 1 280.324 1.950 20 5 CDBDMO Cc1ncc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000344338222 362571884 /nfs/dbraw/zinc/57/18/84/362571884.db2.gz WIJPBBDGBRARMF-UHFFFAOYSA-N 1 1 280.309 1.750 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610447625 346283900 /nfs/dbraw/zinc/28/39/00/346283900.db2.gz CNLWMIJLMVFXOO-GFCCVEGCSA-N 1 1 290.327 1.325 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@@H]3CCCOC3)C2)nc1 ZINC000610569961 346314741 /nfs/dbraw/zinc/31/47/41/346314741.db2.gz IEHFYRVOMDQWPT-DGCLKSJQSA-N 1 1 292.339 1.655 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042058950 348716582 /nfs/dbraw/zinc/71/65/82/348716582.db2.gz UXCZPHGKPXPOLY-UHFFFAOYSA-N 1 1 268.317 1.383 20 5 CDBDMO CC(C)C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000157567395 188325146 /nfs/dbraw/zinc/32/51/46/188325146.db2.gz PXEOMZXSILMCGZ-UHFFFAOYSA-N 1 1 279.340 1.799 20 5 CDBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000157567395 188325148 /nfs/dbraw/zinc/32/51/48/188325148.db2.gz PXEOMZXSILMCGZ-UHFFFAOYSA-N 1 1 279.340 1.799 20 5 CDBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000276234770 363275410 /nfs/dbraw/zinc/27/54/10/363275410.db2.gz TTYJSHPLLRBXFW-ZJUUUORDSA-N 1 1 286.303 1.298 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000276234770 363275413 /nfs/dbraw/zinc/27/54/13/363275413.db2.gz TTYJSHPLLRBXFW-ZJUUUORDSA-N 1 1 286.303 1.298 20 5 CDBDMO O=C(NCC[N@H+]1CC=CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000279915701 363342997 /nfs/dbraw/zinc/34/29/97/363342997.db2.gz FVMUIOZXWPFQRA-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000279915701 363343002 /nfs/dbraw/zinc/34/30/02/363343002.db2.gz FVMUIOZXWPFQRA-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000273591649 192220242 /nfs/dbraw/zinc/22/02/42/192220242.db2.gz HHTLSPWOHYSATH-QWRGUYRKSA-N 1 1 279.344 1.917 20 5 CDBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293709533 198740916 /nfs/dbraw/zinc/74/09/16/198740916.db2.gz JBBFTAPIBKPUNC-SECBINFHSA-N 1 1 281.312 1.228 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000037766480 356530369 /nfs/dbraw/zinc/53/03/69/356530369.db2.gz SSTLLDADBNSAEB-KCJUWKMLSA-N 1 1 281.337 1.435 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(CO)COC1 ZINC000560478397 356970045 /nfs/dbraw/zinc/97/00/45/356970045.db2.gz WALXXMCUIWRSAE-UHFFFAOYSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047676729 357163670 /nfs/dbraw/zinc/16/36/70/357163670.db2.gz PKHGOBKJKRWQIQ-UHFFFAOYSA-N 1 1 288.307 1.920 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537608 357213094 /nfs/dbraw/zinc/21/30/94/357213094.db2.gz DUGIZKAYXQJTFZ-LLVKDONJSA-N 1 1 284.287 1.568 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000119032626 357223588 /nfs/dbraw/zinc/22/35/88/357223588.db2.gz IUXPNDVFEDICTP-MNOVXSKESA-N 1 1 293.323 1.744 20 5 CDBDMO C[N@H+](CCc1ccncc1)CCn1ccc([N+](=O)[O-])n1 ZINC000181457858 357349824 /nfs/dbraw/zinc/34/98/24/357349824.db2.gz YFVKLSFKDGQWMA-UHFFFAOYSA-N 1 1 275.312 1.361 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408074702 357813094 /nfs/dbraw/zinc/81/30/94/357813094.db2.gz XIHGOZDFLNYYEU-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408074702 357813096 /nfs/dbraw/zinc/81/30/96/357813096.db2.gz XIHGOZDFLNYYEU-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)C(F)(F)F ZINC000189478381 358016093 /nfs/dbraw/zinc/01/60/93/358016093.db2.gz DXGAGLQMFIBGQL-MRVPVSSYSA-N 1 1 296.249 1.036 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162657 358224311 /nfs/dbraw/zinc/22/43/11/358224311.db2.gz YHFAKRONIPRJQA-VHSXEESVSA-N 1 1 293.323 1.465 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1F ZINC000287475926 358659939 /nfs/dbraw/zinc/65/99/39/358659939.db2.gz SBKCOGRVXHORDI-GHMZBOCLSA-N 1 1 284.287 1.052 20 5 CDBDMO Cc1c(OC[C@@H](O)C[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844722 358677298 /nfs/dbraw/zinc/67/72/98/358677298.db2.gz WMQWNFPGDKQRRU-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccoc1 ZINC000341620451 358698133 /nfs/dbraw/zinc/69/81/33/358698133.db2.gz RVFSHBIVSNNRFD-UHFFFAOYSA-N 1 1 277.280 1.482 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccoc1 ZINC000341620451 358698138 /nfs/dbraw/zinc/69/81/38/358698138.db2.gz RVFSHBIVSNNRFD-UHFFFAOYSA-N 1 1 277.280 1.482 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828514 358713480 /nfs/dbraw/zinc/71/34/80/358713480.db2.gz ZDAZAZRNLSNQQB-JTQLQIEISA-N 1 1 267.333 1.615 20 5 CDBDMO Cc1occc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176216571 358741459 /nfs/dbraw/zinc/74/14/59/358741459.db2.gz ROVAQRJDXWUTOS-UHFFFAOYSA-N 1 1 264.285 1.825 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264947866 358791077 /nfs/dbraw/zinc/79/10/77/358791077.db2.gz XLOJOEBTFMBBHJ-UHFFFAOYSA-N 1 1 251.286 1.276 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000267150445 358858374 /nfs/dbraw/zinc/85/83/74/358858374.db2.gz CDXMLASKXRFRCQ-ZDUSSCGKSA-N 1 1 290.323 1.457 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354006695 358890125 /nfs/dbraw/zinc/89/01/25/358890125.db2.gz NBPCHXUKOXELNQ-JTQLQIEISA-N 1 1 292.339 1.464 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187567 358950179 /nfs/dbraw/zinc/95/01/79/358950179.db2.gz PVSWODZJZYPBPF-SNVBAGLBSA-N 1 1 263.297 1.276 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CCCC1(C)C ZINC000450952674 359023257 /nfs/dbraw/zinc/02/32/57/359023257.db2.gz VDAISQQZCMIKDJ-UHFFFAOYSA-N 1 1 267.333 1.615 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000569500839 359244963 /nfs/dbraw/zinc/24/49/63/359244963.db2.gz BKRKLZXRHWXPGS-PHIMTYICSA-N 1 1 252.318 1.769 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000339671735 359426385 /nfs/dbraw/zinc/42/63/85/359426385.db2.gz QARJZKMUYUOZNU-WDEREUQCSA-N 1 1 292.339 1.290 20 5 CDBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702959 359431316 /nfs/dbraw/zinc/43/13/16/359431316.db2.gz UWCZTBPRCIAZMF-CQSZACIVSA-N 1 1 296.371 1.522 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000297672987 200258745 /nfs/dbraw/zinc/25/87/45/200258745.db2.gz GDLAHDNHZCRQMT-VIFPVBQESA-N 1 1 279.300 1.063 20 5 CDBDMO Cc1c(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000487309900 359945546 /nfs/dbraw/zinc/94/55/46/359945546.db2.gz PHFUNDKCPXMMNQ-GXFFZTMASA-N 1 1 291.351 1.717 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443346 359991805 /nfs/dbraw/zinc/99/18/05/359991805.db2.gz FXQZBJIIPSPRLD-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[C@@H]1CN(C)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443346 359991815 /nfs/dbraw/zinc/99/18/15/359991815.db2.gz FXQZBJIIPSPRLD-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884712 360463602 /nfs/dbraw/zinc/46/36/02/360463602.db2.gz LSLWHURGSNHYGH-ONGXEEELSA-N 1 1 268.288 1.937 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177967860 189082150 /nfs/dbraw/zinc/08/21/50/189082150.db2.gz ZXQZPZQWUKOPBO-AWEZNQCLSA-N 1 1 296.323 1.439 20 5 CDBDMO C[C@]1(O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177970280 189082179 /nfs/dbraw/zinc/08/21/79/189082179.db2.gz FWZUCLZEDJEJBE-ZDUSSCGKSA-N 1 1 250.298 1.594 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000249583669 364922658 /nfs/dbraw/zinc/92/26/58/364922658.db2.gz SDEQPUQBKKYZFI-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000249583669 364922662 /nfs/dbraw/zinc/92/26/62/364922662.db2.gz SDEQPUQBKKYZFI-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270930096 366946134 /nfs/dbraw/zinc/94/61/34/366946134.db2.gz PWDRIGOPXOOLFJ-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270930096 366946139 /nfs/dbraw/zinc/94/61/39/366946139.db2.gz PWDRIGOPXOOLFJ-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@H+]1C1CC1 ZINC000440930566 367105881 /nfs/dbraw/zinc/10/58/81/367105881.db2.gz ROLARJTZDVRQEH-ZJUUUORDSA-N 1 1 292.339 1.288 20 5 CDBDMO CC1(C)C[NH2+]CC[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000420355383 244133142 /nfs/dbraw/zinc/13/31/42/244133142.db2.gz DUVOISFXLDULGP-AWEZNQCLSA-N 1 1 293.367 1.951 20 5 CDBDMO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367729 244151857 /nfs/dbraw/zinc/15/18/57/244151857.db2.gz NFRWCJKKTDCKEY-TYNCELHUSA-N 1 1 293.367 1.950 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755480 203193410 /nfs/dbraw/zinc/19/34/10/203193410.db2.gz KAWJEFRHEVSEOY-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981646 371268418 /nfs/dbraw/zinc/26/84/18/371268418.db2.gz BUTZAHLPJZKQAP-LLVKDONJSA-N 1 1 293.323 1.171 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356614152 372985269 /nfs/dbraw/zinc/98/52/69/372985269.db2.gz UCBXZCSFTXITKY-KOLCDFICSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356614152 372985274 /nfs/dbraw/zinc/98/52/74/372985274.db2.gz UCBXZCSFTXITKY-KOLCDFICSA-N 1 1 293.323 1.513 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000356655735 372990748 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CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154668872 375472849 /nfs/dbraw/zinc/47/28/49/375472849.db2.gz FARNWWHTBPDLMD-GFCCVEGCSA-N 1 1 295.314 1.487 20 5 CDBDMO C[N@H+]1CC[C@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000352897788 375550076 /nfs/dbraw/zinc/55/00/76/375550076.db2.gz AJGRUYOKSJVSHV-QMMMGPOBSA-N 1 1 271.704 1.362 20 5 CDBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354890562 375758872 /nfs/dbraw/zinc/75/88/72/375758872.db2.gz FNXVGGSNAOVRHL-UWVGGRQHSA-N 1 1 268.317 1.064 20 5 CDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354890562 375758877 /nfs/dbraw/zinc/75/88/77/375758877.db2.gz FNXVGGSNAOVRHL-UWVGGRQHSA-N 1 1 268.317 1.064 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114233 375953102 /nfs/dbraw/zinc/95/31/02/375953102.db2.gz FVCPUXXGOYWNHZ-VOKGJARPSA-N 1 1 291.351 1.264 20 5 CDBDMO CN1CC[C@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000358114233 375953110 /nfs/dbraw/zinc/95/31/10/375953110.db2.gz FVCPUXXGOYWNHZ-VOKGJARPSA-N 1 1 291.351 1.264 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000267054395 376629388 /nfs/dbraw/zinc/62/93/88/376629388.db2.gz RILPVUXVDNDGJJ-CQSZACIVSA-N 1 1 290.323 1.457 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172295443 377431539 /nfs/dbraw/zinc/43/15/39/377431539.db2.gz FIWIEJKEAWESNE-AWEZNQCLSA-N 1 1 280.324 1.568 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000354434888 377693748 /nfs/dbraw/zinc/69/37/48/377693748.db2.gz QKMWTSCITNUTPP-QWRGUYRKSA-N 1 1 294.355 1.868 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000266885351 378342461 /nfs/dbraw/zinc/34/24/61/378342461.db2.gz BWOCBBMKHGKNGR-CYBMUJFWSA-N 1 1 275.312 1.957 20 5 CDBDMO CCC[C@]1(CO)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000444772263 250186871 /nfs/dbraw/zinc/18/68/71/250186871.db2.gz NBVLUJFMIIGQGH-CYBMUJFWSA-N 1 1 282.344 1.418 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174873879 379602838 /nfs/dbraw/zinc/60/28/38/379602838.db2.gz WPZCBYKHWNVUAN-GHMZBOCLSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174863660 379596374 /nfs/dbraw/zinc/59/63/74/379596374.db2.gz XHXUZKNIQPDCIX-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882581 379605730 /nfs/dbraw/zinc/60/57/30/379605730.db2.gz LOTYAADTCWECRP-OCCSQVGLSA-N 1 1 296.371 1.927 20 5 CDBDMO COc1cc(C[NH2+][C@H](C)CF)c([N+](=O)[O-])cc1O ZINC000288506853 197098473 /nfs/dbraw/zinc/09/84/73/197098473.db2.gz SNKHFCWADLMCQQ-SSDOTTSWSA-N 1 1 258.249 1.757 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000288627735 197131153 /nfs/dbraw/zinc/13/11/53/197131153.db2.gz YHVXNEUVDSPPHX-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000450251539 251192219 /nfs/dbraw/zinc/19/22/19/251192219.db2.gz BKKISZUOISEUSM-GHMZBOCLSA-N 1 1 277.328 1.732 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491577624 253091484 /nfs/dbraw/zinc/09/14/84/253091484.db2.gz YLOYPKRJPCWRBI-DGMVEKRQSA-N 1 1 289.335 1.771 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000288627735 197131151 /nfs/dbraw/zinc/13/11/51/197131151.db2.gz YHVXNEUVDSPPHX-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO C[C@@H]1Cc2[nH+]cn(Cc3c([N+](=O)[O-])ncn3C)c2C[C@@H]1C ZINC000451005402 390587699 /nfs/dbraw/zinc/58/76/99/390587699.db2.gz YGYDMBIUXMRFHJ-ZJUUUORDSA-N 1 1 289.339 1.944 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550916 390632357 /nfs/dbraw/zinc/63/23/57/390632357.db2.gz XGABTLUODIIEIF-DGCLKSJQSA-N 1 1 282.344 1.538 20 5 CDBDMO CCN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178185315 390837171 /nfs/dbraw/zinc/83/71/71/390837171.db2.gz KEKIIKWBYOVBJK-UHFFFAOYSA-N 1 1 279.340 1.895 20 5 CDBDMO CCOCC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178213284 390846210 /nfs/dbraw/zinc/84/62/10/390846210.db2.gz BMMYNPSHPFGEIC-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO CC(C)O[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000517027571 390967873 /nfs/dbraw/zinc/96/78/73/390967873.db2.gz MUCODPKLWKRKHN-LLVKDONJSA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)C1 ZINC000266912593 391054739 /nfs/dbraw/zinc/05/47/39/391054739.db2.gz JKJCRVVBIRGSQK-MNOVXSKESA-N 1 1 250.298 1.970 20 5 CDBDMO Cc1nc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337569 391270709 /nfs/dbraw/zinc/27/07/09/391270709.db2.gz FITQIYSHXHHUAH-SNVBAGLBSA-N 1 1 291.355 1.614 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449698652 391288167 /nfs/dbraw/zinc/28/81/67/391288167.db2.gz NNHYWSHWBMHLQZ-OAHLLOKOSA-N 1 1 294.351 1.734 20 5 CDBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615380 391736744 /nfs/dbraw/zinc/73/67/44/391736744.db2.gz GFROVFBPSCTIQP-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000495194680 391906101 /nfs/dbraw/zinc/90/61/01/391906101.db2.gz OPLSGKNRFAVXNQ-CQSZACIVSA-N 1 1 293.323 1.041 20 5 CDBDMO CC[C@@H](C(=O)OC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489015284 392866692 /nfs/dbraw/zinc/86/66/92/392866692.db2.gz BIJLLQNUQLXDGW-NSHDSACASA-N 1 1 296.327 1.380 20 5 CDBDMO Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525292888 392925951 /nfs/dbraw/zinc/92/59/51/392925951.db2.gz RFJCJPNMBZLFDG-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000423307368 392961248 /nfs/dbraw/zinc/96/12/48/392961248.db2.gz VTQNWEYBVFQQRK-SNVBAGLBSA-N 1 1 292.339 1.121 20 5 CDBDMO C[C@@H](N)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423462976 392963083 /nfs/dbraw/zinc/96/30/83/392963083.db2.gz KZINGYCMWCTYTC-MXWKQRLJSA-N 1 1 251.330 1.851 20 5 CDBDMO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423462976 392963088 /nfs/dbraw/zinc/96/30/88/392963088.db2.gz KZINGYCMWCTYTC-MXWKQRLJSA-N 1 1 251.330 1.851 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000430240228 393094511 /nfs/dbraw/zinc/09/45/11/393094511.db2.gz LZOAXEOZFQCMFJ-ZYHUDNBSSA-N 1 1 280.324 1.806 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430240663 393095565 /nfs/dbraw/zinc/09/55/65/393095565.db2.gz DVSFGNPSABRDKH-SNVBAGLBSA-N 1 1 295.339 1.417 20 5 CDBDMO [NH3+]C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430948417 393106963 /nfs/dbraw/zinc/10/69/63/393106963.db2.gz JATOIMOIZZNWDQ-LLVKDONJSA-N 1 1 265.313 1.254 20 5 CDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613690 393154246 /nfs/dbraw/zinc/15/42/46/393154246.db2.gz DRSRRWOCJCBWNC-UWVGGRQHSA-N 1 1 268.317 1.064 20 5 CDBDMO CO[C@@H](C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332674775 393155368 /nfs/dbraw/zinc/15/53/68/393155368.db2.gz CRSUCQDQQPKHGA-JTQLQIEISA-N 1 1 250.298 1.988 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000285381311 393195755 /nfs/dbraw/zinc/19/57/55/393195755.db2.gz RRUTYNRFDKCPCV-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO COC[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650365 397608238 /nfs/dbraw/zinc/60/82/38/397608238.db2.gz MDHIVELCRARXIN-SMDDNHRTSA-N 1 1 280.324 1.597 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898811 147071854 /nfs/dbraw/zinc/07/18/54/147071854.db2.gz CXFRMYBZVWKPPG-WAFBPQNNSA-N 1 1 291.351 1.922 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273682 148035544 /nfs/dbraw/zinc/03/55/44/148035544.db2.gz VVNIUCGNOJHKGU-ZDUSSCGKSA-N 1 1 295.387 1.455 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343418133 152165705 /nfs/dbraw/zinc/16/57/05/152165705.db2.gz BCNMMORPJRQPQP-PWSUYJOCSA-N 1 1 277.324 1.807 20 5 CDBDMO CC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343690433 152268071 /nfs/dbraw/zinc/26/80/71/152268071.db2.gz RBQRTKVACDEAFO-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO CC1=CC[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000355519003 157095881 /nfs/dbraw/zinc/09/58/81/157095881.db2.gz IVFDOONRVHHVJC-UHFFFAOYSA-N 1 1 289.335 1.977 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359133431 158136324 /nfs/dbraw/zinc/13/63/24/158136324.db2.gz XEWCWHNKOIQTGA-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374690622 160308035 /nfs/dbraw/zinc/30/80/35/160308035.db2.gz APXJIVPKBPJZRD-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343516025 163794474 /nfs/dbraw/zinc/79/44/74/163794474.db2.gz KJBNLJLZELWSMG-BXUZGUMPSA-N 1 1 291.351 1.736 20 5 CDBDMO CC(C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285201354 196219901 /nfs/dbraw/zinc/21/99/01/196219901.db2.gz DBWYVXGQVYEKJX-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO CC(C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285201354 196219902 /nfs/dbraw/zinc/21/99/02/196219902.db2.gz DBWYVXGQVYEKJX-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO CC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285411596 196276535 /nfs/dbraw/zinc/27/65/35/196276535.db2.gz UVFVTZANNIMFOQ-GFCCVEGCSA-N 1 1 252.314 1.840 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000070078995 260151313 /nfs/dbraw/zinc/15/13/13/260151313.db2.gz XRSUNSGSIQXGQG-SNVBAGLBSA-N 1 1 282.319 1.392 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000273705440 277085012 /nfs/dbraw/zinc/08/50/12/277085012.db2.gz DJYNFBGSJYVRLW-CMPLNLGQSA-N 1 1 277.328 1.305 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152662 277160800 /nfs/dbraw/zinc/16/08/00/277160800.db2.gz CIRJAOOFFYFYND-CYBMUJFWSA-N 1 1 262.313 1.522 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553444 278295689 /nfs/dbraw/zinc/29/56/89/278295689.db2.gz DCSWTTLJUVNIHY-YPMLDQLKSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553444 278295690 /nfs/dbraw/zinc/29/56/90/278295690.db2.gz DCSWTTLJUVNIHY-YPMLDQLKSA-N 1 1 270.354 1.794 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988559 279202126 /nfs/dbraw/zinc/20/21/26/279202126.db2.gz AXFOZVYSDHXMDE-NSHDSACASA-N 1 1 294.355 1.907 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000162595661 279622601 /nfs/dbraw/zinc/62/26/01/279622601.db2.gz QRTNOUIWOQTVTF-UHFFFAOYSA-N 1 1 277.202 1.058 20 5 CDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000291169558 289048574 /nfs/dbraw/zinc/04/85/74/289048574.db2.gz QVQILMKHSCXVFL-CHWSQXEVSA-N 1 1 291.351 1.894 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088216 290175995 /nfs/dbraw/zinc/17/59/95/290175995.db2.gz ISYXRXXFZGIPMJ-NWDGAFQWSA-N 1 1 276.340 1.910 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139312 316239733 /nfs/dbraw/zinc/23/97/33/316239733.db2.gz AGLBLFHSYZYXAT-ZETCQYMHSA-N 1 1 264.241 1.657 20 5 CDBDMO CC(C)(c1nc(C[NH3+])no1)c1ccc([N+](=O)[O-])cc1F ZINC000566213829 316516982 /nfs/dbraw/zinc/51/69/82/316516982.db2.gz DZSICLAZLXEYGV-UHFFFAOYSA-N 1 1 280.259 1.902 20 5 CDBDMO CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000125763186 482316651 /nfs/dbraw/zinc/31/66/51/482316651.db2.gz QWGFJDKWCTUKPN-UHFFFAOYSA-N 1 1 279.340 1.941 20 5 CDBDMO CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000125763186 482316654 /nfs/dbraw/zinc/31/66/54/482316654.db2.gz QWGFJDKWCTUKPN-UHFFFAOYSA-N 1 1 279.340 1.941 20 5 CDBDMO Cc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133627259 482835223 /nfs/dbraw/zinc/83/52/23/482835223.db2.gz RXWNYEIDPBRKND-VXGBXAGGSA-N 1 1 293.371 1.557 20 5 CDBDMO CNc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000161444941 522540513 /nfs/dbraw/zinc/54/05/13/522540513.db2.gz FUCRJZNDTAXZFS-SNVBAGLBSA-N 1 1 292.339 1.318 20 5 CDBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306264 528381077 /nfs/dbraw/zinc/38/10/77/528381077.db2.gz KBGJUPRWLNAJEP-JSGCOSHPSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670580 528741866 /nfs/dbraw/zinc/74/18/66/528741866.db2.gz UNQFXWBNDVLIJH-ZDUSSCGKSA-N 1 1 282.340 1.721 20 5 CDBDMO CCC[N@H+](CC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000727820566 574599403 /nfs/dbraw/zinc/59/94/03/574599403.db2.gz KCLAEXYAQSTVPP-UHFFFAOYSA-N 1 1 291.307 1.880 20 5 CDBDMO CCC[N@@H+](CC)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000727820566 574599404 /nfs/dbraw/zinc/59/94/04/574599404.db2.gz KCLAEXYAQSTVPP-UHFFFAOYSA-N 1 1 291.307 1.880 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000732181442 575082371 /nfs/dbraw/zinc/08/23/71/575082371.db2.gz IAEPCOKQNKOIQP-SNVBAGLBSA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000732181442 575082374 /nfs/dbraw/zinc/08/23/74/575082374.db2.gz IAEPCOKQNKOIQP-SNVBAGLBSA-N 1 1 262.269 1.831 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082854 576975149 /nfs/dbraw/zinc/97/51/49/576975149.db2.gz SDHLELUDDAQUIY-LBPRGKRZSA-N 1 1 268.313 1.331 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930868803 617552665 /nfs/dbraw/zinc/55/26/65/617552665.db2.gz XJRPUGXUNSPXKU-GHMZBOCLSA-N 1 1 287.360 1.641 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000930868803 617552668 /nfs/dbraw/zinc/55/26/68/617552668.db2.gz XJRPUGXUNSPXKU-GHMZBOCLSA-N 1 1 287.360 1.641 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933867618 617710255 /nfs/dbraw/zinc/71/02/55/617710255.db2.gz QJKRWLWLCBDTGC-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893934245 618192906 /nfs/dbraw/zinc/19/29/06/618192906.db2.gz GGYZTUAISVYMBH-ZANVPECISA-N 1 1 265.288 1.874 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924955496 618395217 /nfs/dbraw/zinc/39/52/17/618395217.db2.gz RJNSPKBFAYDMMF-LBPRGKRZSA-N 1 1 293.323 1.218 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000791051634 618738024 /nfs/dbraw/zinc/73/80/24/618738024.db2.gz HIEQXQPEQJAWQU-UHFFFAOYSA-N 1 1 287.360 1.594 20 5 CDBDMO O=[N+]([O-])CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000791053096 618742052 /nfs/dbraw/zinc/74/20/52/618742052.db2.gz SIANIRPZRNUSKC-QPJJXVBHSA-N 1 1 275.352 1.594 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-] ZINC000894754134 619044211 /nfs/dbraw/zinc/04/42/11/619044211.db2.gz SKTKRQAZCGKSLM-PSASIEDQSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-] ZINC000894754134 619044212 /nfs/dbraw/zinc/04/42/12/619044212.db2.gz SKTKRQAZCGKSLM-PSASIEDQSA-N 1 1 282.296 1.264 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000928572578 619422906 /nfs/dbraw/zinc/42/29/06/619422906.db2.gz HYJBDXRJHOPRFL-LLPBQKLSSA-N 1 1 275.308 1.428 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000905232342 626686596 /nfs/dbraw/zinc/68/65/96/626686596.db2.gz NRDSNJKUALNYDP-OAHLLOKOSA-N 1 1 293.367 1.144 20 5 CDBDMO C[NH+](C)CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912653224 630128443 /nfs/dbraw/zinc/12/84/43/630128443.db2.gz PVMHETVDKFGXJK-UHFFFAOYSA-N 1 1 277.324 1.826 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000929675053 630706021 /nfs/dbraw/zinc/70/60/21/630706021.db2.gz AUSFNKWABFCPCF-GFCCVEGCSA-N 1 1 252.289 1.967 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN(C1CCC1)C1C[NH2+]C1 ZINC001580875300 1172558051 /nfs/dbraw/zinc/55/80/51/1172558051.db2.gz ICHQMOSQIVRYEY-UHFFFAOYSA-N 1 1 277.324 1.627 20 5 CDBDMO CC[N@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011959 742858892 /nfs/dbraw/zinc/85/88/92/742858892.db2.gz BZFXEPMNBNUAQO-OAHLLOKOSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[N@@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819011959 742858893 /nfs/dbraw/zinc/85/88/93/742858893.db2.gz BZFXEPMNBNUAQO-OAHLLOKOSA-N 1 1 293.367 1.702 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000712322895 742886698 /nfs/dbraw/zinc/88/66/98/742886698.db2.gz GYQSFFKTLNBZHV-SSDOTTSWSA-N 1 1 285.250 1.307 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000712322895 742886699 /nfs/dbraw/zinc/88/66/99/742886699.db2.gz GYQSFFKTLNBZHV-SSDOTTSWSA-N 1 1 285.250 1.307 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693422 742890083 /nfs/dbraw/zinc/89/00/83/742890083.db2.gz CMFITBVRBLAGKG-SDDRHHMPSA-N 1 1 280.324 1.188 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000860918082 743135592 /nfs/dbraw/zinc/13/55/92/743135592.db2.gz ZWFJZAILWARRID-AWEZNQCLSA-N 1 1 292.335 1.861 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000860918082 743135619 /nfs/dbraw/zinc/13/56/19/743135619.db2.gz ZWFJZAILWARRID-AWEZNQCLSA-N 1 1 292.335 1.861 20 5 CDBDMO O=C(NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000929790049 743391922 /nfs/dbraw/zinc/39/19/22/743391922.db2.gz RLYUXQCYGFUTEN-ZDUSSCGKSA-N 1 1 291.351 1.405 20 5 CDBDMO CC(=O)Nc1cccc([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930190696 744985257 /nfs/dbraw/zinc/98/52/57/744985257.db2.gz KNMQFMWDRJCKHR-VIFPVBQESA-N 1 1 251.286 1.572 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880297207 745011165 /nfs/dbraw/zinc/01/11/65/745011165.db2.gz KPTYUCVYHIDZMC-SECBINFHSA-N 1 1 281.287 1.485 20 5 CDBDMO C[N@@H+](CCCF)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000887141273 745360935 /nfs/dbraw/zinc/36/09/35/745360935.db2.gz MFTCDHFTKLADDK-CYBMUJFWSA-N 1 1 295.314 1.992 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598032 745415352 /nfs/dbraw/zinc/41/53/52/745415352.db2.gz OMYVVPIDNGHMJR-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000112310100 745480906 /nfs/dbraw/zinc/48/09/06/745480906.db2.gz GEVOFOOUXQDWKZ-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870877782 745751288 /nfs/dbraw/zinc/75/12/88/745751288.db2.gz NSURRYNIGLLPKC-IINYFYTJSA-N 1 1 277.324 1.637 20 5 CDBDMO CCOCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000092885041 745753528 /nfs/dbraw/zinc/75/35/28/745753528.db2.gz FPNUAIOXEPPSJQ-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO CCOCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000092885041 745753540 /nfs/dbraw/zinc/75/35/40/745753540.db2.gz FPNUAIOXEPPSJQ-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063493 745807959 /nfs/dbraw/zinc/80/79/59/745807959.db2.gz CLQUFNDHURRTRW-YVECIDJPSA-N 1 1 281.356 1.079 20 5 CDBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052040 745859070 /nfs/dbraw/zinc/85/90/70/745859070.db2.gz KGKBGNRTUGMSEK-UONOGXRCSA-N 1 1 269.389 1.850 20 5 CDBDMO C[C@@H](C[N@H+](CC[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000930489411 746000017 /nfs/dbraw/zinc/00/00/17/746000017.db2.gz XQFRZCGUTORTEY-STQMWFEESA-N 1 1 266.341 1.750 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c(C)c1[N+](=O)[O-] ZINC000155379849 746039642 /nfs/dbraw/zinc/03/96/42/746039642.db2.gz SIGKULLNXUCEJR-SKDRFNHKSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(C)c1[N+](=O)[O-] ZINC000155379849 746039652 /nfs/dbraw/zinc/03/96/52/746039652.db2.gz SIGKULLNXUCEJR-SKDRFNHKSA-N 1 1 282.344 1.601 20 5 CDBDMO COCC[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051624867 746068705 /nfs/dbraw/zinc/06/87/05/746068705.db2.gz GZBXUPOHUITZDK-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128394 746361633 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COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723690679 746650790 /nfs/dbraw/zinc/65/07/90/746650790.db2.gz VXWKWNPASMXUIP-NSHDSACASA-N 1 1 279.340 1.774 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030556 746679298 /nfs/dbraw/zinc/67/92/98/746679298.db2.gz NJVVTNQOKPLGBD-NSHDSACASA-N 1 1 265.313 1.848 20 5 CDBDMO Cc1cc(NCC[N@@H+](C)CCO)c(F)cc1[N+](=O)[O-] ZINC000884825378 746871304 /nfs/dbraw/zinc/87/13/04/746871304.db2.gz TUZJPENJMWWPAG-UHFFFAOYSA-N 1 1 271.292 1.378 20 5 CDBDMO C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H](C)[N@@H+]1C ZINC000865833835 746891317 /nfs/dbraw/zinc/89/13/17/746891317.db2.gz HFEDWUIIGBKEGH-AOOOYVTPSA-N 1 1 297.330 1.755 20 5 CDBDMO C[C@@H](O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886272577 746895446 /nfs/dbraw/zinc/89/54/46/746895446.db2.gz UXQWZKUCXNQANB-SECBINFHSA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886272577 746895447 /nfs/dbraw/zinc/89/54/47/746895447.db2.gz UXQWZKUCXNQANB-SECBINFHSA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105845 747060437 /nfs/dbraw/zinc/06/04/37/747060437.db2.gz QFBTYKFAZAYKCL-UXIGCNINSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1C[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105845 747060448 /nfs/dbraw/zinc/06/04/48/747060448.db2.gz QFBTYKFAZAYKCL-UXIGCNINSA-N 1 1 293.367 1.701 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823968726 747139247 /nfs/dbraw/zinc/13/92/47/747139247.db2.gz ZGDSCDMOXOGHAG-UHFFFAOYSA-N 1 1 293.327 1.346 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000887061492 747397194 /nfs/dbraw/zinc/39/71/94/747397194.db2.gz ZJNOCCYHVUNAJO-UFBFGSQYSA-N 1 1 283.303 1.724 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000792874596 747652383 /nfs/dbraw/zinc/65/23/83/747652383.db2.gz WXZDFCHPKOYGFU-CYBMUJFWSA-N 1 1 295.295 1.706 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000792874596 747652414 /nfs/dbraw/zinc/65/24/14/747652414.db2.gz WXZDFCHPKOYGFU-CYBMUJFWSA-N 1 1 295.295 1.706 20 5 CDBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000931666284 748300154 /nfs/dbraw/zinc/30/01/54/748300154.db2.gz NDRRXLLYQYCECB-CYBMUJFWSA-N 1 1 296.323 1.462 20 5 CDBDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000931164715 748301220 /nfs/dbraw/zinc/30/12/20/748301220.db2.gz RAWJFYSDRYZIND-UHFFFAOYSA-N 1 1 264.329 1.409 20 5 CDBDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](CC[N+](=O)[O-])C2 ZINC000931164715 748301234 /nfs/dbraw/zinc/30/12/34/748301234.db2.gz RAWJFYSDRYZIND-UHFFFAOYSA-N 1 1 264.329 1.409 20 5 CDBDMO CC[N@@H+](CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059944 748507091 /nfs/dbraw/zinc/50/70/91/748507091.db2.gz JFFYOBNXELCZHI-OAHLLOKOSA-N 1 1 295.383 1.948 20 5 CDBDMO CCN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059944 748507105 /nfs/dbraw/zinc/50/71/05/748507105.db2.gz JFFYOBNXELCZHI-OAHLLOKOSA-N 1 1 295.383 1.948 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928566037 748696848 /nfs/dbraw/zinc/69/68/48/748696848.db2.gz DCFGBTNUKDMKBQ-SNVBAGLBSA-N 1 1 288.307 1.510 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000840123110 748745536 /nfs/dbraw/zinc/74/55/36/748745536.db2.gz FZSPTXOJGDCJHA-UWVGGRQHSA-N 1 1 254.290 1.106 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000840123110 748745549 /nfs/dbraw/zinc/74/55/49/748745549.db2.gz FZSPTXOJGDCJHA-UWVGGRQHSA-N 1 1 254.290 1.106 20 5 CDBDMO COC(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000136722088 748818079 /nfs/dbraw/zinc/81/80/79/748818079.db2.gz MNFLPZFPBGFPRJ-UHFFFAOYSA-N 1 1 295.339 1.336 20 5 CDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c2c1 ZINC000872783782 749196446 /nfs/dbraw/zinc/19/64/46/749196446.db2.gz ASWKQEIMNSBZIS-TXEJJXNPSA-N 1 1 288.307 1.480 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001173221024 912307157 /nfs/dbraw/zinc/30/71/57/912307157.db2.gz FJGRNXVWHYRZER-UXIGCNINSA-N 1 1 294.351 1.201 20 5 CDBDMO COc1ncc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)n1 ZINC001167785292 900656837 /nfs/dbraw/zinc/65/68/37/900656837.db2.gz OUQMYWQHPRRLQW-UHFFFAOYSA-N 1 1 290.283 1.291 20 5 CDBDMO Cc1cccc(C[N@@H+]2CC[C@@H](NCC[N+](=O)[O-])C2)c1 ZINC001120524501 912039696 /nfs/dbraw/zinc/03/96/96/912039696.db2.gz KSUGTGYVFOINFJ-CQSZACIVSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1cccc(C[N@H+]2CC[C@@H](NCC[N+](=O)[O-])C2)c1 ZINC001120524501 912039713 /nfs/dbraw/zinc/03/97/13/912039713.db2.gz KSUGTGYVFOINFJ-CQSZACIVSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001117687910 921981207 /nfs/dbraw/zinc/98/12/07/921981207.db2.gz RALZWTKTEKMYDT-MNOVXSKESA-N 1 1 276.340 1.757 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011940 927616412 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1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC001169022467 927662735 /nfs/dbraw/zinc/66/27/35/927662735.db2.gz BYBCTUAZRMQWAD-HZSPNIEDSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC001169022467 927662740 /nfs/dbraw/zinc/66/27/40/927662740.db2.gz BYBCTUAZRMQWAD-HZSPNIEDSA-N 1 1 267.373 1.602 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001152417107 937361419 /nfs/dbraw/zinc/36/14/19/937361419.db2.gz SOSPBAHSAMMLFS-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1cc(F)ccc1[N+](=O)[O-] ZINC001152586146 937374927 /nfs/dbraw/zinc/37/49/27/937374927.db2.gz HMMWPASHNWWDRM-AWEZNQCLSA-N 1 1 293.298 1.702 20 5 CDBDMO O=C(NCCC[NH2+]Cc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157760345 938541789 /nfs/dbraw/zinc/54/17/89/938541789.db2.gz DAZZDWARDQHJQE-DGCLKSJQSA-N 1 1 295.314 1.087 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001158727380 938657313 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C[N@H+]1CC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434672 942004698 /nfs/dbraw/zinc/00/46/98/942004698.db2.gz NYXZAVUQQUDETD-SNVBAGLBSA-N 1 1 274.280 1.621 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227988297 942251874 /nfs/dbraw/zinc/25/18/74/942251874.db2.gz QLUSEOFNGMAYJF-NSHDSACASA-N 1 1 251.286 1.853 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654561 942349082 /nfs/dbraw/zinc/34/90/82/942349082.db2.gz LAXTYSNAYHKKBS-SECBINFHSA-N 1 1 252.274 1.246 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncncc1[N+](=O)[O-] ZINC001228660521 942350382 /nfs/dbraw/zinc/35/03/82/942350382.db2.gz SCGHOVGLCUNEGJ-IAZYJMLFSA-N 1 1 278.312 1.494 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001228689279 942358319 /nfs/dbraw/zinc/35/83/19/942358319.db2.gz QRWQVEIEASHGQZ-VIFPVBQESA-N 1 1 290.279 1.594 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001233558262 943616557 /nfs/dbraw/zinc/61/65/57/943616557.db2.gz ZWXUZGAZANPZKO-MVWJERBFSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001233558262 943616559 /nfs/dbraw/zinc/61/65/59/943616559.db2.gz ZWXUZGAZANPZKO-MVWJERBFSA-N 1 1 291.307 1.481 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC001254562817 947523855 /nfs/dbraw/zinc/52/38/55/947523855.db2.gz PFYCDJBPAQQETG-VXGBXAGGSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)C[C@H]1C ZINC001254553733 947524277 /nfs/dbraw/zinc/52/42/77/947524277.db2.gz XYDLWLXXZPCWPE-WZRBSPASSA-N 1 1 264.325 1.981 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]1CO)C2 ZINC001254594592 947547272 /nfs/dbraw/zinc/54/72/72/947547272.db2.gz RSFWVMCOHTVFGX-UONOGXRCSA-N 1 1 262.309 1.519 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315891 948102711 /nfs/dbraw/zinc/10/27/11/948102711.db2.gz XGXNQTDOJNGGKX-CMPLNLGQSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315891 948102713 /nfs/dbraw/zinc/10/27/13/948102713.db2.gz XGXNQTDOJNGGKX-CMPLNLGQSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC001333654913 958481297 /nfs/dbraw/zinc/48/12/97/958481297.db2.gz SCDRNVWEZWYHCU-UHFFFAOYSA-N 1 1 255.322 1.471 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[N+](=O)[O-] ZINC001334683881 959284719 /nfs/dbraw/zinc/28/47/19/959284719.db2.gz DKISRIFFCBDXSZ-HIFRSBDPSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683881 959284734 /nfs/dbraw/zinc/28/47/34/959284734.db2.gz DKISRIFFCBDXSZ-HIFRSBDPSA-N 1 1 277.368 1.763 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+]2CCC[C@H]2C1 ZINC001322152892 960112291 /nfs/dbraw/zinc/11/22/91/960112291.db2.gz KBGOKVNLLXZWRT-JTQLQIEISA-N 1 1 265.317 1.003 20 5 CDBDMO COC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001335959357 960122939 /nfs/dbraw/zinc/12/29/39/960122939.db2.gz PBTDYMXBVYCONO-NSHDSACASA-N 1 1 258.705 1.894 20 5 CDBDMO C[C@H](NCC[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776689 961417035 /nfs/dbraw/zinc/41/70/35/961417035.db2.gz CXBBBMYJWAEYST-DZGCQCFKSA-N 1 1 277.368 1.763 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340908229 963184656 /nfs/dbraw/zinc/18/46/56/963184656.db2.gz RMMDMPACVYLHQF-WDEREUQCSA-N 1 1 299.277 1.409 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601166129 342485294 /nfs/dbraw/zinc/48/52/94/342485294.db2.gz GVOBRPWIRFKOEX-UHFFFAOYSA-N 1 1 283.303 1.804 20 5 CDBDMO Cc1nc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601184109 342489095 /nfs/dbraw/zinc/48/90/95/342489095.db2.gz HJNNPIXNWKSRSK-NEPJUHHUSA-N 1 1 276.340 1.686 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108330329 341995080 /nfs/dbraw/zinc/99/50/80/341995080.db2.gz PWXGPPWDWLQPGK-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000593067046 342762075 /nfs/dbraw/zinc/76/20/75/342762075.db2.gz SDXGQIKHTNAQJO-CHWSQXEVSA-N 1 1 280.324 1.485 20 5 CDBDMO C[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593383406 342793085 /nfs/dbraw/zinc/79/30/85/342793085.db2.gz UACHJIJLEABFCJ-UHFFFAOYSA-N 1 1 281.287 1.050 20 5 CDBDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248638192 344003319 /nfs/dbraw/zinc/00/33/19/344003319.db2.gz YPQGWSQNBPPRQU-TZMCWYRMSA-N 1 1 296.371 1.807 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000588823558 342222388 /nfs/dbraw/zinc/22/23/88/342222388.db2.gz CPOZATYEGLBASM-KOLCDFICSA-N 1 1 297.359 1.251 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000588823558 342222389 /nfs/dbraw/zinc/22/23/89/342222389.db2.gz CPOZATYEGLBASM-KOLCDFICSA-N 1 1 297.359 1.251 20 5 CDBDMO O=[N+]([O-])c1cccc(CCNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000600733471 342245994 /nfs/dbraw/zinc/24/59/94/342245994.db2.gz ZHJBWUJXUKOLEG-HNNXBMFYSA-N 1 1 293.367 1.184 20 5 CDBDMO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000600733471 342245995 /nfs/dbraw/zinc/24/59/95/342245995.db2.gz ZHJBWUJXUKOLEG-HNNXBMFYSA-N 1 1 293.367 1.184 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417698 342902786 /nfs/dbraw/zinc/90/27/86/342902786.db2.gz FENLUEFNKXDNAH-GXSJLCMTSA-N 1 1 293.327 1.065 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296104 343026398 /nfs/dbraw/zinc/02/63/98/343026398.db2.gz IMUMOYQOYCNNPZ-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326844 343036440 /nfs/dbraw/zinc/03/64/40/343036440.db2.gz LXZMRZQELCCVMD-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595326844 343036442 /nfs/dbraw/zinc/03/64/42/343036442.db2.gz LXZMRZQELCCVMD-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000595450184 343058856 /nfs/dbraw/zinc/05/88/56/343058856.db2.gz SDPCRDGETGSEHH-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000595450184 343058859 /nfs/dbraw/zinc/05/88/59/343058859.db2.gz SDPCRDGETGSEHH-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423592 343055697 /nfs/dbraw/zinc/05/56/97/343055697.db2.gz BIOCPNDUKFMHFO-SNVBAGLBSA-N 1 1 269.301 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428958 343057993 /nfs/dbraw/zinc/05/79/93/343057993.db2.gz HYFWQGPSSPUBHW-BDAKNGLRSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428958 343057994 /nfs/dbraw/zinc/05/79/94/343057994.db2.gz HYFWQGPSSPUBHW-BDAKNGLRSA-N 1 1 255.274 1.094 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472962 343073390 /nfs/dbraw/zinc/07/33/90/343073390.db2.gz RATYSKHQZKAKFK-PELKAZGASA-N 1 1 281.287 1.348 20 5 CDBDMO Nc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000076270155 342320394 /nfs/dbraw/zinc/32/03/94/342320394.db2.gz QOVMGEXCNGYIKW-MRVPVSSYSA-N 1 1 289.299 1.074 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C2CC2)C2(CO)CCC2)n1 ZINC000595534517 343091831 /nfs/dbraw/zinc/09/18/31/343091831.db2.gz VTBKGXKSNXOFTQ-UHFFFAOYSA-N 1 1 280.328 1.171 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1=CCCOC1 ZINC000595746708 343150858 /nfs/dbraw/zinc/15/08/58/343150858.db2.gz BRBQVIBXNCCGQE-UHFFFAOYSA-N 1 1 266.301 1.070 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(O)cccc3C2)n1 ZINC000599647024 344113466 /nfs/dbraw/zinc/11/34/66/344113466.db2.gz OJXGJSPSJQKOBU-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(O)cccc3C2)n1 ZINC000599647024 344113467 /nfs/dbraw/zinc/11/34/67/344113467.db2.gz OJXGJSPSJQKOBU-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000602798401 344589224 /nfs/dbraw/zinc/58/92/24/344589224.db2.gz KHCSRWJKUPKCRY-GFCCVEGCSA-N 1 1 264.329 1.832 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839176 344620576 /nfs/dbraw/zinc/62/05/76/344620576.db2.gz IJWXBDHJZGDTLR-CYBMUJFWSA-N 1 1 295.387 1.516 20 5 CDBDMO C[N@H+]1CCCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000604526553 344899883 /nfs/dbraw/zinc/89/98/83/344899883.db2.gz YZLGJWZENBUBOQ-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO CN1CCC[N@H+](CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000604526553 344899885 /nfs/dbraw/zinc/89/98/85/344899885.db2.gz YZLGJWZENBUBOQ-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO CN1CCC[N@@H+](CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000604526553 344899888 /nfs/dbraw/zinc/89/98/88/344899888.db2.gz YZLGJWZENBUBOQ-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CO)C2)cs1 ZINC000265897829 362624046 /nfs/dbraw/zinc/62/40/46/362624046.db2.gz SZEQHNZISUZCNK-VIFPVBQESA-N 1 1 256.327 1.861 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CO)C2)cs1 ZINC000265897829 362624048 /nfs/dbraw/zinc/62/40/48/362624048.db2.gz SZEQHNZISUZCNK-VIFPVBQESA-N 1 1 256.327 1.861 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000051792329 346346690 /nfs/dbraw/zinc/34/66/90/346346690.db2.gz CARGWJWZJJCIFX-UHFFFAOYSA-N 1 1 279.340 1.813 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000051792329 346346693 /nfs/dbraw/zinc/34/66/93/346346693.db2.gz CARGWJWZJJCIFX-UHFFFAOYSA-N 1 1 279.340 1.813 20 5 CDBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000015210404 348522014 /nfs/dbraw/zinc/52/20/14/348522014.db2.gz PDUYBLBMRRIFFC-UHFFFAOYSA-N 1 1 277.284 1.273 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057159558 348831737 /nfs/dbraw/zinc/83/17/37/348831737.db2.gz SBMCFOHKXPAKCX-ZDUSSCGKSA-N 1 1 291.351 1.738 20 5 CDBDMO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000267857679 362937899 /nfs/dbraw/zinc/93/78/99/362937899.db2.gz XRMLXHJZUDCHQD-GWCFXTLKSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000267857679 362937904 /nfs/dbraw/zinc/93/79/04/362937904.db2.gz XRMLXHJZUDCHQD-GWCFXTLKSA-N 1 1 293.323 1.643 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069674478 349106563 /nfs/dbraw/zinc/10/65/63/349106563.db2.gz MWOSRWZWQXWSBV-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)C3CC3)nc2c1 ZINC000618282009 349426211 /nfs/dbraw/zinc/42/62/11/349426211.db2.gz PRVIFUILWUYBGL-UHFFFAOYSA-N 1 1 290.323 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)C3CC3)nc2c1 ZINC000618282009 349426217 /nfs/dbraw/zinc/42/62/17/349426217.db2.gz PRVIFUILWUYBGL-UHFFFAOYSA-N 1 1 290.323 1.818 20 5 CDBDMO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000080983201 351120745 /nfs/dbraw/zinc/12/07/45/351120745.db2.gz SMMFTRWXUXCKLM-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000292297308 198234806 /nfs/dbraw/zinc/23/48/06/198234806.db2.gz CWHZZIKJLSUYTK-AAEUAGOBSA-N 1 1 280.324 1.819 20 5 CDBDMO CC[N@@H+](C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155811999 188228963 /nfs/dbraw/zinc/22/89/63/188228963.db2.gz WTPXBQVHNKDUBW-UHFFFAOYSA-N 1 1 253.302 1.967 20 5 CDBDMO [NH3+][C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000157845899 188342293 /nfs/dbraw/zinc/34/22/93/188342293.db2.gz HUSSMXYPBUDEFI-QMMMGPOBSA-N 1 1 289.295 1.034 20 5 CDBDMO C[N@H+](CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000157992491 188351459 /nfs/dbraw/zinc/35/14/59/188351459.db2.gz XZNOPWQTARUAES-UHFFFAOYSA-N 1 1 281.341 1.422 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000283410496 357554302 /nfs/dbraw/zinc/55/43/02/357554302.db2.gz VRURJPZHHHQPLG-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193634395 358311118 /nfs/dbraw/zinc/31/11/18/358311118.db2.gz BSEDCCYIKYKFHG-PRHODGIISA-N 1 1 297.742 1.862 20 5 CDBDMO CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797852 358596747 /nfs/dbraw/zinc/59/67/47/358596747.db2.gz PESHLIFUGKPVLA-ZDUSSCGKSA-N 1 1 294.351 1.991 20 5 CDBDMO NC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102180378 358871588 /nfs/dbraw/zinc/87/15/88/358871588.db2.gz WPTAAAQXKCTMPR-UHFFFAOYSA-N 1 1 278.312 1.181 20 5 CDBDMO NC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000102180378 358871591 /nfs/dbraw/zinc/87/15/91/358871591.db2.gz WPTAAAQXKCTMPR-UHFFFAOYSA-N 1 1 278.312 1.181 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051591344 358912775 /nfs/dbraw/zinc/91/27/75/358912775.db2.gz DULVQWSBUQXEDP-AWEZNQCLSA-N 1 1 291.351 1.956 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051591344 358912781 /nfs/dbraw/zinc/91/27/81/358912781.db2.gz DULVQWSBUQXEDP-AWEZNQCLSA-N 1 1 291.351 1.956 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291243073 358900758 /nfs/dbraw/zinc/90/07/58/358900758.db2.gz NGOLCRZBJKZPHM-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291243073 358900761 /nfs/dbraw/zinc/90/07/61/358900761.db2.gz NGOLCRZBJKZPHM-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)OC ZINC000291354568 358945721 /nfs/dbraw/zinc/94/57/21/358945721.db2.gz YFYKBZNTVMJEBG-LLVKDONJSA-N 1 1 283.328 1.113 20 5 CDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000105790766 358986893 /nfs/dbraw/zinc/98/68/93/358986893.db2.gz WQTZKFIWHRWIFD-NEPJUHHUSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000093226762 359017396 /nfs/dbraw/zinc/01/73/96/359017396.db2.gz ZNGVNAOGPARFRD-NSHDSACASA-N 1 1 275.312 1.879 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000120090655 359106590 /nfs/dbraw/zinc/10/65/90/359106590.db2.gz WMNVFOADHKSGTE-UHFFFAOYSA-N 1 1 291.351 1.867 20 5 CDBDMO O=C1NCC[C@]12CCC[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000569256356 359148930 /nfs/dbraw/zinc/14/89/30/359148930.db2.gz NBTCUGMNPGXYHN-CQSZACIVSA-N 1 1 275.308 1.449 20 5 CDBDMO O=C1NCC[C@]12CCC[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000569256356 359148935 /nfs/dbraw/zinc/14/89/35/359148935.db2.gz NBTCUGMNPGXYHN-CQSZACIVSA-N 1 1 275.308 1.449 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000047496462 359171012 /nfs/dbraw/zinc/17/10/12/359171012.db2.gz BCOXCBRKUSXOHX-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO C[C@@H]1[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000339064458 359282711 /nfs/dbraw/zinc/28/27/11/359282711.db2.gz GNBWMKOPSASZMO-MNOVXSKESA-N 1 1 279.340 1.825 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963630 359530811 /nfs/dbraw/zinc/53/08/11/359530811.db2.gz LGUAEKPHLZSKIG-QMMMGPOBSA-N 1 1 285.731 1.862 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359043 200161001 /nfs/dbraw/zinc/16/10/01/200161001.db2.gz BWFBKXVUNCMXPN-GXSJLCMTSA-N 1 1 279.344 1.470 20 5 CDBDMO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000081553384 359862036 /nfs/dbraw/zinc/86/20/36/359862036.db2.gz KSTRORTTYSUTOB-SECBINFHSA-N 1 1 283.303 1.548 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000081553384 359862044 /nfs/dbraw/zinc/86/20/44/359862044.db2.gz KSTRORTTYSUTOB-SECBINFHSA-N 1 1 283.303 1.548 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753002 359916428 /nfs/dbraw/zinc/91/64/28/359916428.db2.gz DHSARZXIEJGSJE-YPMHNXCESA-N 1 1 264.325 1.840 20 5 CDBDMO COCC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000402 360069386 /nfs/dbraw/zinc/06/93/86/360069386.db2.gz MGFOPYMJQDODFH-UHFFFAOYSA-N 1 1 268.317 1.288 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000134389750 360996479 /nfs/dbraw/zinc/99/64/79/360996479.db2.gz LBGHKINMTHIOAT-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860405 361492764 /nfs/dbraw/zinc/49/27/64/361492764.db2.gz CZRSWTJRLCMYHY-PWSUYJOCSA-N 1 1 277.328 1.224 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000301756672 201179783 /nfs/dbraw/zinc/17/97/83/201179783.db2.gz LAOWZXTVKATHSP-GXFFZTMASA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000301756672 201179786 /nfs/dbraw/zinc/17/97/86/201179786.db2.gz LAOWZXTVKATHSP-GXFFZTMASA-N 1 1 265.313 1.726 20 5 CDBDMO C[NH2+]CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000581132421 363970879 /nfs/dbraw/zinc/97/08/79/363970879.db2.gz ICFKEFCYBPDSBZ-UHFFFAOYSA-N 1 1 267.333 1.038 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204354 364455167 /nfs/dbraw/zinc/45/51/67/364455167.db2.gz JLDXIYSPELGGQX-GZMMTYOYSA-N 1 1 295.364 1.869 20 5 CDBDMO CCCc1[nH+]ccn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000151899107 364596022 /nfs/dbraw/zinc/59/60/22/364596022.db2.gz OKXSPMOKQNHZAQ-LLVKDONJSA-N 1 1 279.300 1.001 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CCO)CCOCC1 ZINC000353053108 364824641 /nfs/dbraw/zinc/82/46/41/364824641.db2.gz ZKTCWAXSSDZRGC-UHFFFAOYSA-N 1 1 294.351 1.958 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249588820 364925472 /nfs/dbraw/zinc/92/54/72/364925472.db2.gz UUKQDYICFNQTDR-GXFFZTMASA-N 1 1 277.324 1.681 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249588820 364925481 /nfs/dbraw/zinc/92/54/81/364925481.db2.gz UUKQDYICFNQTDR-GXFFZTMASA-N 1 1 277.324 1.681 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCCC1 ZINC000090522201 367567980 /nfs/dbraw/zinc/56/79/80/367567980.db2.gz QCZDCCVVTWDUGI-UHFFFAOYSA-N 1 1 279.340 1.879 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H](C3CCC3)C2)n1 ZINC000367823356 370923540 /nfs/dbraw/zinc/92/35/40/370923540.db2.gz OJKLGUINRBKZLV-ZDUSSCGKSA-N 1 1 294.355 1.540 20 5 CDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382713 244179568 /nfs/dbraw/zinc/17/95/68/244179568.db2.gz ZYCRCCMGEYHTSG-LALPHHSUSA-N 1 1 293.367 1.950 20 5 CDBDMO Cc1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870409 203334437 /nfs/dbraw/zinc/33/44/37/203334437.db2.gz FTDDNISZJAMOJE-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000330870409 203334441 /nfs/dbraw/zinc/33/44/41/203334441.db2.gz FTDDNISZJAMOJE-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000330892793 203361009 /nfs/dbraw/zinc/36/10/09/203361009.db2.gz DHIBQFVPSIJDHX-DTWKUNHWSA-N 1 1 267.285 1.400 20 5 CDBDMO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858367 370408567 /nfs/dbraw/zinc/40/85/67/370408567.db2.gz YUEDRTRJPBVOAL-NWDGAFQWSA-N 1 1 279.340 1.643 20 5 CDBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000121816789 373246725 /nfs/dbraw/zinc/24/67/25/373246725.db2.gz ZHQKZLDGXUJAGT-MWLCHTKSSA-N 1 1 295.364 1.743 20 5 CDBDMO Cc1cccc(OCc2noc(C[NH3+])n2)c1[N+](=O)[O-] ZINC000387521789 373689078 /nfs/dbraw/zinc/68/90/78/373689078.db2.gz UPFQRNQWZUDBBZ-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673205 374099023 /nfs/dbraw/zinc/09/90/23/374099023.db2.gz JTAAALWNTXBIPQ-YPMHNXCESA-N 1 1 292.339 1.573 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003118 374294214 /nfs/dbraw/zinc/29/42/14/374294214.db2.gz MWJNDNVYALKKKP-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423439572 374381078 /nfs/dbraw/zinc/38/10/78/374381078.db2.gz SKBKHIOYTOQIKO-KNCOVGOOSA-N 1 1 287.363 1.723 20 5 CDBDMO CC[N@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299144193 374439559 /nfs/dbraw/zinc/43/95/59/374439559.db2.gz UQIDADVCHNFGPE-UHFFFAOYSA-N 1 1 281.312 1.162 20 5 CDBDMO CC[N@@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299144193 374439560 /nfs/dbraw/zinc/43/95/60/374439560.db2.gz UQIDADVCHNFGPE-UHFFFAOYSA-N 1 1 281.312 1.162 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000429161311 374570202 /nfs/dbraw/zinc/57/02/02/374570202.db2.gz JLSISUXTNLLHHY-JQWIXIFHSA-N 1 1 280.324 1.949 20 5 CDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000429170377 374570286 /nfs/dbraw/zinc/57/02/86/374570286.db2.gz XIINEKFXIXONKL-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154771847 374748462 /nfs/dbraw/zinc/74/84/62/374748462.db2.gz QCBJMLALCMLGGL-SKDRFNHKSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154771847 374748469 /nfs/dbraw/zinc/74/84/69/374748469.db2.gz QCBJMLALCMLGGL-SKDRFNHKSA-N 1 1 283.303 1.865 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815514 374715130 /nfs/dbraw/zinc/71/51/30/374715130.db2.gz DYZANKBSDIIZIT-JTQLQIEISA-N 1 1 294.359 1.330 20 5 CDBDMO CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000093311792 374741515 /nfs/dbraw/zinc/74/15/15/374741515.db2.gz RCNBOJCIAKGKCY-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000093311792 374741524 /nfs/dbraw/zinc/74/15/24/374741524.db2.gz RCNBOJCIAKGKCY-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CCOCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000093313193 374742116 /nfs/dbraw/zinc/74/21/16/374742116.db2.gz ZFOMAFOGEVGAOX-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000449519617 374818952 /nfs/dbraw/zinc/81/89/52/374818952.db2.gz QGINNXJJXSWBIN-OCCSQVGLSA-N 1 1 261.325 1.731 20 5 CDBDMO CC1(C)OCC(CO)([NH2+]Cc2cccc([N+](=O)[O-])c2)CO1 ZINC000279392917 374895918 /nfs/dbraw/zinc/89/59/18/374895918.db2.gz YXOLIKZGEKJTNE-UHFFFAOYSA-N 1 1 296.323 1.198 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000331568015 374974540 /nfs/dbraw/zinc/97/45/40/374974540.db2.gz VUYQXNFINHLBCK-RNCFNFMXSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000331568015 374974546 /nfs/dbraw/zinc/97/45/46/374974546.db2.gz VUYQXNFINHLBCK-RNCFNFMXSA-N 1 1 290.323 1.674 20 5 CDBDMO CN1CCO[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205522 375015977 /nfs/dbraw/zinc/01/59/77/375015977.db2.gz FENVESMHACHVEV-KGLIPLIRSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205522 375015980 /nfs/dbraw/zinc/01/59/80/375015980.db2.gz FENVESMHACHVEV-KGLIPLIRSA-N 1 1 277.324 1.110 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299667358 375191524 /nfs/dbraw/zinc/19/15/24/375191524.db2.gz XPDNPDHTSKEMPS-UHFFFAOYSA-N 1 1 266.301 1.091 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000131241005 375198258 /nfs/dbraw/zinc/19/82/58/375198258.db2.gz FSWYJPQZIVIPHR-SECBINFHSA-N 1 1 282.296 1.274 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000131241005 375198261 /nfs/dbraw/zinc/19/82/61/375198261.db2.gz FSWYJPQZIVIPHR-SECBINFHSA-N 1 1 282.296 1.274 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000160035006 375410362 /nfs/dbraw/zinc/41/03/62/375410362.db2.gz RXHUBPWEZHVNDT-AWEZNQCLSA-N 1 1 263.341 1.806 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000160035006 375410369 /nfs/dbraw/zinc/41/03/69/375410369.db2.gz RXHUBPWEZHVNDT-AWEZNQCLSA-N 1 1 263.341 1.806 20 5 CDBDMO Cc1nn(C)c(NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000227009755 375415669 /nfs/dbraw/zinc/41/56/69/375415669.db2.gz MOZMQCNSBUPRMD-UHFFFAOYSA-N 1 1 269.349 1.779 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nncn1C ZINC000344786753 375445911 /nfs/dbraw/zinc/44/59/11/375445911.db2.gz ADYVQKJMNAFHRC-WDZFZDKYSA-N 1 1 287.323 1.916 20 5 CDBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353224173 375589569 /nfs/dbraw/zinc/58/95/69/375589569.db2.gz BNRASQPMKLJIJJ-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353224173 375589575 /nfs/dbraw/zinc/58/95/75/375589575.db2.gz BNRASQPMKLJIJJ-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000353492834 375619498 /nfs/dbraw/zinc/61/94/98/375619498.db2.gz VOLIVAHJLALKDK-UHFFFAOYSA-N 1 1 266.297 1.429 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(O)C1 ZINC000353496759 375619684 /nfs/dbraw/zinc/61/96/84/375619684.db2.gz QUFWVJRAFACWKS-UHFFFAOYSA-N 1 1 280.324 1.949 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(O)C1 ZINC000353496759 375619687 /nfs/dbraw/zinc/61/96/87/375619687.db2.gz QUFWVJRAFACWKS-UHFFFAOYSA-N 1 1 280.324 1.949 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000430247135 247589505 /nfs/dbraw/zinc/58/95/05/247589505.db2.gz YIGHNQRWVSWIJO-KBPBESRZSA-N 1 1 296.323 1.449 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCCO1 ZINC000267045057 376524250 /nfs/dbraw/zinc/52/42/50/376524250.db2.gz DXYGJIUTSOEKDQ-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCCO ZINC000267079652 376976486 /nfs/dbraw/zinc/97/64/86/376976486.db2.gz XMROVNGWLIRJBH-UHFFFAOYSA-N 1 1 298.339 1.170 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCCO ZINC000267079652 376976494 /nfs/dbraw/zinc/97/64/94/376976494.db2.gz XMROVNGWLIRJBH-UHFFFAOYSA-N 1 1 298.339 1.170 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172978304 377793103 /nfs/dbraw/zinc/79/31/03/377793103.db2.gz RHQMMZMRDYYWAR-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069847185 378915434 /nfs/dbraw/zinc/91/54/34/378915434.db2.gz XKMCTKSWKMCYLV-GFCCVEGCSA-N 1 1 278.356 1.643 20 5 CDBDMO C[N@@H+](C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289453818 197354213 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ZINC001169011974 927616245 /nfs/dbraw/zinc/61/62/45/927616245.db2.gz OCHAYBXDCCZFEC-NTZNESFSSA-N 1 1 270.329 1.459 20 5 CDBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1CO ZINC001169011406 927617248 /nfs/dbraw/zinc/61/72/48/927617248.db2.gz KEHIELMOPGUKND-FDYHWXHSSA-N 1 1 256.346 1.525 20 5 CDBDMO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035835 927644452 /nfs/dbraw/zinc/64/44/52/927644452.db2.gz DAKIPXPBZNLSLP-KSSYENDESA-N 1 1 254.330 1.399 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169035501 927645010 /nfs/dbraw/zinc/64/50/10/927645010.db2.gz BOEFXKKMPCCNDV-PWSUYJOCSA-N 1 1 264.329 1.224 20 5 CDBDMO COC(=O)CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037527 927647830 /nfs/dbraw/zinc/64/78/30/927647830.db2.gz SBJLCBZMCRIBQN-UPJWGTAASA-N 1 1 284.356 1.707 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)C1 ZINC001169039092 927649193 /nfs/dbraw/zinc/64/91/93/927649193.db2.gz MYZWQPOCGSMXOX-VOAKCMCISA-N 1 1 254.330 1.543 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCOC3)C1 ZINC001169039961 927653285 /nfs/dbraw/zinc/65/32/85/927653285.db2.gz WIYCIXAMTRRQCQ-RDBSUJKOSA-N 1 1 268.357 1.934 20 5 CDBDMO C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017565 927656440 /nfs/dbraw/zinc/65/64/40/927656440.db2.gz APZQGAYIWKUPQW-MEBFFEOJSA-N 1 1 268.357 1.931 20 5 CDBDMO COCC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021917 927663732 /nfs/dbraw/zinc/66/37/32/927663732.db2.gz BCIGBRXJGHZQQY-HIFRSBDPSA-N 1 1 299.415 1.474 20 5 CDBDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026521 927667438 /nfs/dbraw/zinc/66/74/38/927667438.db2.gz LYJSBNKOXXHGII-MJBXVCDLSA-N 1 1 297.399 1.813 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579516 927755274 /nfs/dbraw/zinc/75/52/74/927755274.db2.gz MGBFRFQVRLMFPI-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO CCC[N@H+](CC(=O)NC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579516 927755284 /nfs/dbraw/zinc/75/52/84/927755284.db2.gz MGBFRFQVRLMFPI-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])c1cnn(-c2cc[nH+]cc2)c1 ZINC000860919314 929217973 /nfs/dbraw/zinc/21/79/73/929217973.db2.gz WQPQBFNHQPIXLM-UHFFFAOYSA-N 1 1 276.252 1.091 20 5 CDBDMO CNc1c(C(=O)OCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000861389401 929291397 /nfs/dbraw/zinc/29/13/97/929291397.db2.gz KVWAREUCHAYOIJ-UHFFFAOYSA-N 1 1 279.296 1.499 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001116195266 937435556 /nfs/dbraw/zinc/43/55/56/937435556.db2.gz IRNKEFYPYJSBHH-UHFFFAOYSA-N 1 1 295.726 1.850 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823204782 931273411 /nfs/dbraw/zinc/27/34/11/931273411.db2.gz LRWNAFAKSBZDMF-UHFFFAOYSA-N 1 1 271.361 1.376 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844642302 931667225 /nfs/dbraw/zinc/66/72/25/931667225.db2.gz IVDCDRYBNMLXPB-QJPTWQEYSA-N 1 1 285.388 1.761 20 5 CDBDMO COCC[N@H+](CCc1ccccc1)CC[N+](=O)[O-] ZINC000929391436 933231381 /nfs/dbraw/zinc/23/13/81/933231381.db2.gz GMQRAHPDZNYSEE-UHFFFAOYSA-N 1 1 252.314 1.454 20 5 CDBDMO COCC[N@@H+](CCc1ccccc1)CC[N+](=O)[O-] ZINC000929391436 933231385 /nfs/dbraw/zinc/23/13/85/933231385.db2.gz GMQRAHPDZNYSEE-UHFFFAOYSA-N 1 1 252.314 1.454 20 5 CDBDMO COCC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000096537456 935029782 /nfs/dbraw/zinc/02/97/82/935029782.db2.gz UXGHFNZESPZWOK-UHFFFAOYSA-N 1 1 296.323 1.606 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])C1 ZINC001156580776 938388156 /nfs/dbraw/zinc/38/81/56/938388156.db2.gz QVYUCBKLZUIBGV-YFKPBYRVSA-N 1 1 292.126 1.808 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N[C@H]2C[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC001157464126 938497013 /nfs/dbraw/zinc/49/70/13/938497013.db2.gz QMMDPDDKKMIQAJ-BGASPPILSA-N 1 1 292.339 1.705 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001159778923 938752161 /nfs/dbraw/zinc/75/21/61/938752161.db2.gz BVQRNDGMVXXOOM-QMMMGPOBSA-N 1 1 259.697 1.079 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225664128 941895999 /nfs/dbraw/zinc/89/59/99/941895999.db2.gz JZVIIUCDSBFBEU-KDDOJWQBSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225664128 941896001 /nfs/dbraw/zinc/89/60/01/941896001.db2.gz JZVIIUCDSBFBEU-KDDOJWQBSA-N 1 1 294.282 1.917 20 5 CDBDMO O=c1cc[nH]c(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001225664728 941897099 /nfs/dbraw/zinc/89/70/99/941897099.db2.gz SAWODVXEHVPTBV-QMMMGPOBSA-N 1 1 276.252 1.286 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666475 941897534 /nfs/dbraw/zinc/89/75/34/941897534.db2.gz JIFAVKDABYECSC-VIFPVBQESA-N 1 1 267.285 1.559 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225775563 941912715 /nfs/dbraw/zinc/91/27/15/941912715.db2.gz FMQIQUQACKLJSX-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173709 941963025 /nfs/dbraw/zinc/96/30/25/941963025.db2.gz VFHBZIWGTVUVTR-LLVKDONJSA-N 1 1 293.323 1.557 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226732825 942060042 /nfs/dbraw/zinc/06/00/42/942060042.db2.gz ZVQUDEGTNYBVRX-JTQLQIEISA-N 1 1 252.274 1.248 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743857 942061241 /nfs/dbraw/zinc/06/12/41/942061241.db2.gz IQFNEDVOEOHXFI-MRVPVSSYSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743857 942061246 /nfs/dbraw/zinc/06/12/46/942061246.db2.gz IQFNEDVOEOHXFI-MRVPVSSYSA-N 1 1 258.224 1.956 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001226760594 942064679 /nfs/dbraw/zinc/06/46/79/942064679.db2.gz BSYGMJPFOZGLMZ-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001226760594 942064683 /nfs/dbraw/zinc/06/46/83/942064683.db2.gz BSYGMJPFOZGLMZ-BIMULSAOSA-N 1 1 291.307 1.481 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228240759 942283557 /nfs/dbraw/zinc/28/35/57/942283557.db2.gz SUIRFYJYWFGKBC-SECBINFHSA-N 1 1 290.279 1.327 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228507213 942328524 /nfs/dbraw/zinc/32/85/24/942328524.db2.gz JDHHMQAWDFDDIR-SSDOTTSWSA-N 1 1 270.744 1.480 20 5 CDBDMO CC[N@@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602847 942340787 /nfs/dbraw/zinc/34/07/87/942340787.db2.gz GEVGWTYATNYGGT-SECBINFHSA-N 1 1 294.311 1.441 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602847 942340789 /nfs/dbraw/zinc/34/07/89/942340789.db2.gz GEVGWTYATNYGGT-SECBINFHSA-N 1 1 294.311 1.441 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233987722 943706987 /nfs/dbraw/zinc/70/69/87/943706987.db2.gz SRJBWYFRBSTOEH-CYBMUJFWSA-N 1 1 294.351 1.987 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001254551827 947520632 /nfs/dbraw/zinc/52/06/32/947520632.db2.gz GGWMTGBBRAUKCP-UXIGCNINSA-N 1 1 294.351 1.201 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC13COC3)C2 ZINC001254601287 947549402 /nfs/dbraw/zinc/54/94/02/947549402.db2.gz XIUOPIRPVWTYMH-CQSZACIVSA-N 1 1 274.320 1.927 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599281 947550064 /nfs/dbraw/zinc/55/00/64/947550064.db2.gz NCJDCVLJGNEGQG-IIMNLJJBSA-N 1 1 262.309 1.517 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599936 947550388 /nfs/dbraw/zinc/55/03/88/947550388.db2.gz MZODYEBBAHMOLM-UONOGXRCSA-N 1 1 289.335 1.402 20 5 CDBDMO COC[C@@H]1CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611068 947555685 /nfs/dbraw/zinc/55/56/85/947555685.db2.gz UDVBXZQPIGTDEA-UONOGXRCSA-N 1 1 262.309 1.783 20 5 CDBDMO C[N@@H+](Cc1cncnc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612646 947556678 /nfs/dbraw/zinc/55/66/78/947556678.db2.gz XJPHCBSVVSUEHP-OAHLLOKOSA-N 1 1 284.319 1.984 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)n[nH]1 ZINC001325237261 953789476 /nfs/dbraw/zinc/78/94/76/953789476.db2.gz BHXBOHQDRGVJRQ-UHFFFAOYSA-N 1 1 276.296 1.925 20 5 CDBDMO O=C1C[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001327511011 954912439 /nfs/dbraw/zinc/91/24/39/954912439.db2.gz ABQNUHOIDFUHIT-SNVBAGLBSA-N 1 1 275.308 1.089 20 5 CDBDMO C[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965603 958817213 /nfs/dbraw/zinc/81/72/13/958817213.db2.gz SPUXTCLIXAPVHM-HUUCEWRRSA-N 1 1 294.351 1.723 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337811026 961440696 /nfs/dbraw/zinc/44/06/96/961440696.db2.gz VULNDSNIQHLXMN-RYUDHWBXSA-N 1 1 276.340 1.759 20 5 CDBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]n1 ZINC001343993151 964206953 /nfs/dbraw/zinc/20/69/53/964206953.db2.gz COXMLIYWLUFRQS-UHFFFAOYSA-N 1 1 290.327 1.660 20 5 CDBDMO CC[C@@H](CO)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351141081 966865159 /nfs/dbraw/zinc/86/51/59/966865159.db2.gz CRUIUTFUYHPDMB-LBPRGKRZSA-N 1 1 250.298 1.724 20 5 CDBDMO Cc1ccc(-n2cnc3c2CC[N@H+](CC[N+](=O)[O-])C3)cc1 ZINC001354698568 968849599 /nfs/dbraw/zinc/84/95/99/968849599.db2.gz BQCMCFYTQFFDIY-UHFFFAOYSA-N 1 1 286.335 1.816 20 5 CDBDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CC[N+](=O)[O-])C3)cc1 ZINC001354698568 968849608 /nfs/dbraw/zinc/84/96/08/968849608.db2.gz BQCMCFYTQFFDIY-UHFFFAOYSA-N 1 1 286.335 1.816 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601114930 342471783 /nfs/dbraw/zinc/47/17/83/342471783.db2.gz BHAWBNJQTRXSMT-SECBINFHSA-N 1 1 271.342 1.789 20 5 CDBDMO Cc1nn(C)c(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000601184005 342489132 /nfs/dbraw/zinc/48/91/32/342489132.db2.gz FELFKMQHMCKENK-MNOVXSKESA-N 1 1 279.344 1.025 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CC2)c1 ZINC000589496293 342507991 /nfs/dbraw/zinc/50/79/91/342507991.db2.gz HHSODPLMXBICQW-UHFFFAOYSA-N 1 1 264.281 1.976 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CC2)c1 ZINC000589496293 342507992 /nfs/dbraw/zinc/50/79/92/342507992.db2.gz HHSODPLMXBICQW-UHFFFAOYSA-N 1 1 264.281 1.976 20 5 CDBDMO O=[N+]([O-])c1sccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000589597920 342509725 /nfs/dbraw/zinc/50/97/25/342509725.db2.gz GWFSILZNJNUFFX-UHFFFAOYSA-N 1 1 279.325 1.706 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)s1 ZINC000589597973 342509802 /nfs/dbraw/zinc/50/98/02/342509802.db2.gz WXNHPMBCYLUBTI-UHFFFAOYSA-N 1 1 279.325 1.706 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000589879255 342516202 /nfs/dbraw/zinc/51/62/02/342516202.db2.gz YNNUHZITNPDJOL-AWEZNQCLSA-N 1 1 293.371 1.652 20 5 CDBDMO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000533213200 282102965 /nfs/dbraw/zinc/10/29/65/282102965.db2.gz BEMDDIUEZCJRMB-SNVBAGLBSA-N 1 1 293.323 1.372 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000533213200 282102969 /nfs/dbraw/zinc/10/29/69/282102969.db2.gz BEMDDIUEZCJRMB-SNVBAGLBSA-N 1 1 293.323 1.372 20 5 CDBDMO Nc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)nc1[N+](=O)[O-] ZINC000590575810 342577196 /nfs/dbraw/zinc/57/71/96/342577196.db2.gz USQLAKGYKVMQPD-UHFFFAOYSA-N 1 1 288.311 1.679 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000590703687 342582520 /nfs/dbraw/zinc/58/25/20/342582520.db2.gz SFXIDIMZCSQQOV-JTQLQIEISA-N 1 1 265.317 1.224 20 5 CDBDMO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581766 342637899 /nfs/dbraw/zinc/63/78/99/342637899.db2.gz RFQDEZWRLVZKKZ-DLOVCJGASA-N 1 1 267.304 1.945 20 5 CDBDMO O=C1CC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)N1 ZINC000593023099 342758852 /nfs/dbraw/zinc/75/88/52/342758852.db2.gz OSKHQJRNTULBBU-LBPRGKRZSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C1CC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)N1 ZINC000593023099 342758854 /nfs/dbraw/zinc/75/88/54/342758854.db2.gz OSKHQJRNTULBBU-LBPRGKRZSA-N 1 1 289.335 1.838 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CO1 ZINC000593065159 342761766 /nfs/dbraw/zinc/76/17/66/342761766.db2.gz YMQKMNAQASPMCW-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CO1 ZINC000593065159 342761767 /nfs/dbraw/zinc/76/17/67/342761767.db2.gz YMQKMNAQASPMCW-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CO1 ZINC000593065160 342761772 /nfs/dbraw/zinc/76/17/72/342761772.db2.gz YMQKMNAQASPMCW-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)CO1 ZINC000593065160 342761773 /nfs/dbraw/zinc/76/17/73/342761773.db2.gz YMQKMNAQASPMCW-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCC[C@H]1CO ZINC000157002233 342176044 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C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000037646945 754672008 /nfs/dbraw/zinc/67/20/08/754672008.db2.gz SDPVCNQMYKUZDW-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO CCC(=O)c1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884825119 754672943 /nfs/dbraw/zinc/67/29/43/754672943.db2.gz GKOVQUUAOKIEGO-UHFFFAOYSA-N 1 1 295.339 1.524 20 5 CDBDMO CC[N@@H+]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000882131430 754729871 /nfs/dbraw/zinc/72/98/71/754729871.db2.gz GIQVJDDWIFBDGW-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@H+]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000882131430 754729872 /nfs/dbraw/zinc/72/98/72/754729872.db2.gz GIQVJDDWIFBDGW-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000886081323 754880441 /nfs/dbraw/zinc/88/04/41/754880441.db2.gz MGNVZUHGXYOQNP-LLVKDONJSA-N 1 1 267.329 1.829 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[NH+]1CCC(C2CC2)CC1 ZINC000793630156 754881162 /nfs/dbraw/zinc/88/11/62/754881162.db2.gz GJNXWQZNNAWLEL-UHFFFAOYSA-N 1 1 250.302 1.871 20 5 CDBDMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578631 754930903 /nfs/dbraw/zinc/93/09/03/754930903.db2.gz HQQLVCDAPIFVMH-CYBMUJFWSA-N 1 1 295.339 1.072 20 5 CDBDMO C[N@H+]1CCC[C@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783290 754934984 /nfs/dbraw/zinc/93/49/84/754934984.db2.gz ASQGUNFSDYTJGB-ZETCQYMHSA-N 1 1 269.330 1.153 20 5 CDBDMO C[C@@H](O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094838 754937908 /nfs/dbraw/zinc/93/79/08/754937908.db2.gz PGJRVGKOISUIDY-YGRLFVJLSA-N 1 1 280.324 1.473 20 5 CDBDMO C[N@@H+](CCCF)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000887139823 754953404 /nfs/dbraw/zinc/95/34/04/754953404.db2.gz FWMMIZOIIQJDEX-UHFFFAOYSA-N 1 1 269.276 1.485 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CC[NH+](C2CC2)CC1 ZINC000885966545 755070659 /nfs/dbraw/zinc/07/06/59/755070659.db2.gz AAORJCWUDBRCEX-UHFFFAOYSA-N 1 1 262.313 1.270 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 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268.313 1.331 20 5 CDBDMO Cc1ocnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195303 755515793 /nfs/dbraw/zinc/51/57/93/755515793.db2.gz ZQJOSYICTMWAKH-CYBMUJFWSA-N 1 1 277.280 1.714 20 5 CDBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791055819 755520835 /nfs/dbraw/zinc/52/08/35/755520835.db2.gz YYBKSQMEWHILIA-NSHDSACASA-N 1 1 269.370 1.703 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000882479283 755581539 /nfs/dbraw/zinc/58/15/39/755581539.db2.gz RQWQFLXGJHFSCJ-SNVBAGLBSA-N 1 1 263.297 1.419 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000817494447 755631125 /nfs/dbraw/zinc/63/11/25/755631125.db2.gz JPCYTOHQTNIKGV-LLVKDONJSA-N 1 1 271.361 1.375 20 5 CDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886252172 755814270 /nfs/dbraw/zinc/81/42/70/755814270.db2.gz VOSSVEYCBDVAHO-MWLCHTKSSA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886252172 755814272 /nfs/dbraw/zinc/81/42/72/755814272.db2.gz VOSSVEYCBDVAHO-MWLCHTKSSA-N 1 1 251.286 1.335 20 5 CDBDMO CC(C)(CCC(=O)OCCC[NH+]1CCOCC1)[N+](=O)[O-] ZINC000837923728 755837869 /nfs/dbraw/zinc/83/78/69/755837869.db2.gz BRUKSGGMQYKPEA-UHFFFAOYSA-N 1 1 288.344 1.087 20 5 CDBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000929184338 756007648 /nfs/dbraw/zinc/00/76/48/756007648.db2.gz WVYVGVKQRHCQGG-UHFFFAOYSA-N 1 1 295.314 1.297 20 5 CDBDMO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000776598404 756551836 /nfs/dbraw/zinc/55/18/36/756551836.db2.gz MXVWSTMKXFCWFH-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000776598404 756551847 /nfs/dbraw/zinc/55/18/47/756551847.db2.gz MXVWSTMKXFCWFH-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000776598404 756551859 /nfs/dbraw/zinc/55/18/59/756551859.db2.gz MXVWSTMKXFCWFH-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000712323026 756855557 /nfs/dbraw/zinc/85/55/57/756855557.db2.gz JDBYPXRZXZGRDY-SSDOTTSWSA-N 1 1 285.250 1.307 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000712323026 756855561 /nfs/dbraw/zinc/85/55/61/756855561.db2.gz JDBYPXRZXZGRDY-SSDOTTSWSA-N 1 1 285.250 1.307 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@H+](C)C1 ZINC000850432096 756933583 /nfs/dbraw/zinc/93/35/83/756933583.db2.gz QZTWQFOYRXSVGM-MNOVXSKESA-N 1 1 279.340 1.958 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@@H+](C)C1 ZINC000850432096 756933600 /nfs/dbraw/zinc/93/36/00/756933600.db2.gz QZTWQFOYRXSVGM-MNOVXSKESA-N 1 1 279.340 1.958 20 5 CDBDMO Cn1nccc1[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000800859108 757813020 /nfs/dbraw/zinc/81/30/20/757813020.db2.gz GYWZAMIPKBQOKI-LLVKDONJSA-N 1 1 290.327 1.362 20 5 CDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000800859108 757813025 /nfs/dbraw/zinc/81/30/25/757813025.db2.gz GYWZAMIPKBQOKI-LLVKDONJSA-N 1 1 290.327 1.362 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000929694823 758047720 /nfs/dbraw/zinc/04/77/20/758047720.db2.gz AZBGOIHMPIQRQO-TUAOUCFPSA-N 1 1 256.346 1.789 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822858988 758149640 /nfs/dbraw/zinc/14/96/40/758149640.db2.gz NYCCSGBVRDJFNW-LBPRGKRZSA-N 1 1 285.388 1.670 20 5 CDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222704 758250080 /nfs/dbraw/zinc/25/00/80/758250080.db2.gz ADMLQLGIHUCRBL-RYUDHWBXSA-N 1 1 265.313 1.583 20 5 CDBDMO Cn1c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000927660272 758349172 /nfs/dbraw/zinc/34/91/72/758349172.db2.gz DUTRJBDDJILANA-NSHDSACASA-N 1 1 295.339 1.965 20 5 CDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933221658 758627085 /nfs/dbraw/zinc/62/70/85/758627085.db2.gz ISOJYTUWVGJGLC-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3cccc3C2)n1 ZINC000932532720 758752940 /nfs/dbraw/zinc/75/29/40/758752940.db2.gz OWYWQMMOMOCORC-UHFFFAOYSA-N 1 1 261.285 1.109 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3cccc3C2)n1 ZINC000932532720 758752955 /nfs/dbraw/zinc/75/29/55/758752955.db2.gz OWYWQMMOMOCORC-UHFFFAOYSA-N 1 1 261.285 1.109 20 5 CDBDMO COC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582751 758826001 /nfs/dbraw/zinc/82/60/01/758826001.db2.gz BPFORVJJVABCBI-BXUZGUMPSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(O)C1 ZINC001173221181 912307479 /nfs/dbraw/zinc/30/74/79/912307479.db2.gz GDTGCFAUWCUNCL-FZMZJTMJSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001173223572 912309719 /nfs/dbraw/zinc/30/97/19/912309719.db2.gz AZHHJAAXSSAXJO-AAEUAGOBSA-N 1 1 291.351 1.723 20 5 CDBDMO CCOc1cnc(NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001168311746 908967467 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1.679 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169028920 927636278 /nfs/dbraw/zinc/63/62/78/927636278.db2.gz SUTRDHLPEDMSMH-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001169028920 927636283 /nfs/dbraw/zinc/63/62/83/927636283.db2.gz SUTRDHLPEDMSMH-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169034549 927640169 /nfs/dbraw/zinc/64/01/69/927640169.db2.gz HRWAIPKSSFNWCW-FDYHWXHSSA-N 1 1 284.356 1.705 20 5 CDBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035789 927644652 /nfs/dbraw/zinc/64/46/52/927644652.db2.gz CHTKHZXAXONUSS-RNJOBUHISA-N 1 1 286.372 1.951 20 5 CDBDMO Cc1noc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169039248 927650361 /nfs/dbraw/zinc/65/03/61/927650361.db2.gz OPONELLQOCUNIQ-SRVKXCTJSA-N 1 1 280.328 1.960 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccncc3)C2)C1 ZINC001169039665 927650899 /nfs/dbraw/zinc/65/08/99/927650899.db2.gz RXVDZNINVOHINO-NFAWXSAZSA-N 1 1 291.351 1.980 20 5 CDBDMO CN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026222 927666293 /nfs/dbraw/zinc/66/62/93/927666293.db2.gz WADQZAOOLASDJI-GXTWGEPZSA-N 1 1 290.367 1.779 20 5 CDBDMO CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050615 927668681 /nfs/dbraw/zinc/66/86/81/927668681.db2.gz BYIVNGXZLGEHDF-YIYPIFLZSA-N 1 1 295.383 1.375 20 5 CDBDMO CCN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053581 927673065 /nfs/dbraw/zinc/67/30/65/927673065.db2.gz JBVXPIHHMMHRKA-CHWSQXEVSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053581 927673071 /nfs/dbraw/zinc/67/30/71/927673071.db2.gz JBVXPIHHMMHRKA-CHWSQXEVSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053581 927673078 /nfs/dbraw/zinc/67/30/78/927673078.db2.gz JBVXPIHHMMHRKA-CHWSQXEVSA-N 1 1 269.389 1.848 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156646523 928874645 /nfs/dbraw/zinc/87/46/45/928874645.db2.gz GYPNSEYYDKLDQQ-GFCCVEGCSA-N 1 1 258.281 1.899 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000882485814 930012761 /nfs/dbraw/zinc/01/27/61/930012761.db2.gz WPZMVMJEXMNGBG-LBPRGKRZSA-N 1 1 277.324 1.727 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1N[C@@H](N)CCC[NH3+] ZINC001170900880 930704477 /nfs/dbraw/zinc/70/44/77/930704477.db2.gz ZGGOYPOCVQHYTN-GFCCVEGCSA-N 1 1 268.317 1.429 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075783066 930950210 /nfs/dbraw/zinc/95/02/10/930950210.db2.gz QZHGOHRFEUEZAP-JTQLQIEISA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075783066 930950216 /nfs/dbraw/zinc/95/02/16/930950216.db2.gz QZHGOHRFEUEZAP-JTQLQIEISA-N 1 1 296.323 1.664 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC[N@@H+](C)C2CC2)n1 ZINC001154537273 937555550 /nfs/dbraw/zinc/55/55/50/937555550.db2.gz PUOSPSZVVMUVLD-UHFFFAOYSA-N 1 1 292.339 1.464 20 5 CDBDMO C[N@H+]1CC[C@H](OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224777230 941790846 /nfs/dbraw/zinc/79/08/46/941790846.db2.gz PJAREEMLNAZUAV-ZDUSSCGKSA-N 1 1 266.297 1.694 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225633519 941892541 /nfs/dbraw/zinc/89/25/41/941892541.db2.gz PVHWQUAZNAJCQR-LLVKDONJSA-N 1 1 251.286 1.853 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226785219 942070044 /nfs/dbraw/zinc/07/00/44/942070044.db2.gz LXYWOAWMJPJWHQ-SSDOTTSWSA-O 1 1 268.366 1.115 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688088 942359297 /nfs/dbraw/zinc/35/92/97/942359297.db2.gz DNDGYINVAQFDHU-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001233983654 943707730 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CC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247492590 948646233 /nfs/dbraw/zinc/64/62/33/948646233.db2.gz NRGBVWBDVBSYSV-ZCFIWIBFSA-N 1 1 267.220 1.589 20 5 CDBDMO Cn1cc([N+](=O)[O-])c(NCC[N@H+]2CCCC2(C)C)n1 ZINC001307139335 956368095 /nfs/dbraw/zinc/36/80/95/956368095.db2.gz GBTWGMCVERZRKQ-UHFFFAOYSA-N 1 1 267.333 1.615 20 5 CDBDMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC001308169517 956486538 /nfs/dbraw/zinc/48/65/38/956486538.db2.gz ZRWAVGPEWRGECE-CYBMUJFWSA-N 1 1 296.371 1.928 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]([NH3+])CC(F)F)n1 ZINC001332358715 957529520 /nfs/dbraw/zinc/52/95/20/957529520.db2.gz KSSXLLNISJPQIA-BYPYZUCNSA-N 1 1 288.214 1.033 20 5 CDBDMO COC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001321368180 959747637 /nfs/dbraw/zinc/74/76/37/959747637.db2.gz BIAORMDEJJEJBT-UHFFFAOYSA-N 1 1 293.323 1.869 20 5 CDBDMO COC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001321368180 959747649 /nfs/dbraw/zinc/74/76/49/959747649.db2.gz BIAORMDEJJEJBT-UHFFFAOYSA-N 1 1 293.323 1.869 20 5 CDBDMO Nc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC001337804190 961432272 /nfs/dbraw/zinc/43/22/72/961432272.db2.gz AKBYXOITGNCIRL-WDEREUQCSA-N 1 1 277.328 1.611 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001338681265 961947278 /nfs/dbraw/zinc/94/72/78/961947278.db2.gz MQKWXSCDYVAPDE-LLVKDONJSA-N 1 1 278.356 1.864 20 5 CDBDMO CC(=O)N1CCC([N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001340374549 962911943 /nfs/dbraw/zinc/91/19/43/962911943.db2.gz DJWVUFVOTFXGSX-UHFFFAOYSA-N 1 1 289.335 1.921 20 5 CDBDMO C[N@@H+]1CCC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581505 969436462 /nfs/dbraw/zinc/43/64/62/969436462.db2.gz ARUOPYCGXPLHLE-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581505 969436466 /nfs/dbraw/zinc/43/64/66/969436466.db2.gz ARUOPYCGXPLHLE-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO CN1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581505 969436469 /nfs/dbraw/zinc/43/64/69/969436469.db2.gz ARUOPYCGXPLHLE-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001573928237 1170830365 /nfs/dbraw/zinc/83/03/65/1170830365.db2.gz SXEBDXIUXXIEEX-JTQLQIEISA-N 1 1 295.295 1.122 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCOCC3)c2c1 ZINC000601098928 342463937 /nfs/dbraw/zinc/46/39/37/342463937.db2.gz KJNPJVQYGPFZMU-UHFFFAOYSA-N 1 1 259.265 1.980 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N(CCO)CCCO)c2c1 ZINC000601122354 342471413 /nfs/dbraw/zinc/47/14/13/342471413.db2.gz YGXGXCSUGDNFKU-UHFFFAOYSA-N 1 1 291.307 1.324 20 5 CDBDMO COCC(COC)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171595 342485920 /nfs/dbraw/zinc/48/59/20/342485920.db2.gz OYUGXZAOEDOQJA-UHFFFAOYSA-N 1 1 291.307 1.638 20 5 CDBDMO CO[C@@H]1COC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601181512 342488918 /nfs/dbraw/zinc/48/89/18/342488918.db2.gz LYEUENBBHBCWTO-ZIAGYGMSSA-N 1 1 289.291 1.391 20 5 CDBDMO O=[N+]([O-])c1ccsc1NCC[NH+]1CCC(O)CC1 ZINC000590728475 342584830 /nfs/dbraw/zinc/58/48/30/342584830.db2.gz OBFKRFHXTPRGSJ-UHFFFAOYSA-N 1 1 271.342 1.525 20 5 CDBDMO O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000590707665 342585069 /nfs/dbraw/zinc/58/50/69/342585069.db2.gz RMGOWIMPYUIBFE-JTQLQIEISA-N 1 1 285.369 1.915 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000591148005 342618611 /nfs/dbraw/zinc/61/86/11/342618611.db2.gz SCHUHZMBNJJJMG-JTQLQIEISA-N 1 1 298.318 1.509 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000591153155 342619855 /nfs/dbraw/zinc/61/98/55/342619855.db2.gz JDCMVKSJQDUBHF-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000591153155 342619856 /nfs/dbraw/zinc/61/98/56/342619856.db2.gz JDCMVKSJQDUBHF-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@H](N)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581402 342637931 /nfs/dbraw/zinc/63/79/31/342637931.db2.gz VIQVODOYOAFZEQ-GWCFXTLKSA-N 1 1 263.341 1.853 20 5 CDBDMO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591580992 342638047 /nfs/dbraw/zinc/63/80/47/342638047.db2.gz IWGHIROBYPWIGC-DLOVCJGASA-N 1 1 267.304 1.945 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1C ZINC000593187385 342776455 /nfs/dbraw/zinc/77/64/55/342776455.db2.gz JUXTYXYHGRGACX-AEJSXWLSSA-N 1 1 281.312 1.741 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[N@H+]1C ZINC000593187385 342776456 /nfs/dbraw/zinc/77/64/56/342776456.db2.gz JUXTYXYHGRGACX-AEJSXWLSSA-N 1 1 281.312 1.741 20 5 CDBDMO CC(=O)NCC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595296251 343026762 /nfs/dbraw/zinc/02/67/62/343026762.db2.gz YNQRLJBNPCCLKS-UHFFFAOYSA-N 1 1 296.327 1.239 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595318149 343034492 /nfs/dbraw/zinc/03/44/92/343034492.db2.gz SAYAKXKPPGQQFE-LLVKDONJSA-N 1 1 295.314 1.692 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428960 343057755 /nfs/dbraw/zinc/05/77/55/343057755.db2.gz HYFWQGPSSPUBHW-DTWKUNHWSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428960 343057756 /nfs/dbraw/zinc/05/77/56/343057756.db2.gz HYFWQGPSSPUBHW-DTWKUNHWSA-N 1 1 255.274 1.094 20 5 CDBDMO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595429898 343057813 /nfs/dbraw/zinc/05/78/13/343057813.db2.gz IAUSGBDVHKNHOM-VIFPVBQESA-N 1 1 257.290 1.652 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000595432462 343058953 /nfs/dbraw/zinc/05/89/53/343058953.db2.gz VTRJMQLFRWEJJP-ZDUSSCGKSA-N 1 1 284.287 1.317 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000595432462 343058955 /nfs/dbraw/zinc/05/89/55/343058955.db2.gz VTRJMQLFRWEJJP-ZDUSSCGKSA-N 1 1 284.287 1.317 20 5 CDBDMO C[N@@H+](CCc1c[nH]nn1)CCc1ccccc1[N+](=O)[O-] ZINC000595484422 343065905 /nfs/dbraw/zinc/06/59/05/343065905.db2.gz KODNUIYHWFYVKE-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO C[N@H+](CCc1cn[nH]n1)CCc1ccccc1[N+](=O)[O-] ZINC000595484422 343065907 /nfs/dbraw/zinc/06/59/07/343065907.db2.gz KODNUIYHWFYVKE-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO C[N@@H+](CCc1cn[nH]n1)CCc1ccccc1[N+](=O)[O-] ZINC000595484422 343065908 /nfs/dbraw/zinc/06/59/08/343065908.db2.gz KODNUIYHWFYVKE-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503754 362120859 /nfs/dbraw/zinc/12/08/59/362120859.db2.gz LWPOMWHUMJUQHC-SNVBAGLBSA-N 1 1 288.731 1.940 20 5 CDBDMO Cc1cc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])s1 ZINC000596113126 343230850 /nfs/dbraw/zinc/23/08/50/343230850.db2.gz MZBFERJYMOAYFS-UHFFFAOYSA-N 1 1 285.369 1.469 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCF)OCCO2 ZINC000619561392 349802810 /nfs/dbraw/zinc/80/28/10/349802810.db2.gz ZFGYBPUDWPPCJW-UHFFFAOYSA-N 1 1 256.233 1.425 20 5 CDBDMO CCc1nn(C)c(N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000092830483 342419454 /nfs/dbraw/zinc/41/94/54/342419454.db2.gz PWHMEASMIQWNFP-NSHDSACASA-N 1 1 295.387 1.669 20 5 CDBDMO Cc1noc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000598648372 343857093 /nfs/dbraw/zinc/85/70/93/343857093.db2.gz NKCOPVODJXDRAE-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000598648372 343857094 /nfs/dbraw/zinc/85/70/94/343857094.db2.gz NKCOPVODJXDRAE-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO COc1cc(OC[C@@H](O)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000515339611 362296873 /nfs/dbraw/zinc/29/68/73/362296873.db2.gz NHVZSLHDQWBXFE-NSHDSACASA-N 1 1 298.339 1.683 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176744 343968425 /nfs/dbraw/zinc/96/84/25/343968425.db2.gz WBYULXRLMWLTTM-GFCCVEGCSA-N 1 1 265.313 1.382 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]1(C)CCCO ZINC000602800500 344590514 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/nfs/dbraw/zinc/27/92/79/279279279.db2.gz PEMANKMWDIZWRS-PHIMTYICSA-N 1 1 265.313 1.629 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217361596 279385634 /nfs/dbraw/zinc/38/56/34/279385634.db2.gz WMFBHWQZAYYNMT-UWVGGRQHSA-N 1 1 265.317 1.367 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408087375 280110812 /nfs/dbraw/zinc/11/08/12/280110812.db2.gz NROJEXRGBOZZDT-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408087375 280110814 /nfs/dbraw/zinc/11/08/14/280110814.db2.gz NROJEXRGBOZZDT-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000420624535 288255256 /nfs/dbraw/zinc/25/52/56/288255256.db2.gz HGNIKFNZUWNZKV-AOOOYVTPSA-N 1 1 292.339 1.223 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459697215 281022674 /nfs/dbraw/zinc/02/26/74/281022674.db2.gz YIYHTFIFBJFKGK-MISXGVKJSA-N 1 1 280.324 1.249 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000557920364 290373744 /nfs/dbraw/zinc/37/37/44/290373744.db2.gz UHLQLGLNOHTOHN-CYBMUJFWSA-N 1 1 291.351 1.690 20 5 CDBDMO [NH3+]Cc1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000564959382 293470961 /nfs/dbraw/zinc/47/09/61/293470961.db2.gz ZRJYMAXINNDQFA-UHFFFAOYSA-N 1 1 263.257 1.091 20 5 CDBDMO C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000563375782 316278026 /nfs/dbraw/zinc/27/80/26/316278026.db2.gz XNVZLFSEQJJZAG-LLVKDONJSA-N 1 1 277.324 1.551 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765495 323218396 /nfs/dbraw/zinc/21/83/96/323218396.db2.gz XZFUPNOHXYHNFO-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO COC(=O)CC(C)(C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC001116354560 1161417590 /nfs/dbraw/zinc/41/75/90/1161417590.db2.gz KANPZKQFOSBCQE-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO CCNC(=O)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000339327094 521746884 /nfs/dbraw/zinc/74/68/84/521746884.db2.gz XPMAWQMOYDZKMD-LLVKDONJSA-N 1 1 285.369 1.907 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111267699 524081895 /nfs/dbraw/zinc/08/18/95/524081895.db2.gz YTAUQYSISHURNM-SNVBAGLBSA-N 1 1 295.314 1.692 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111267699 524081896 /nfs/dbraw/zinc/08/18/96/524081896.db2.gz YTAUQYSISHURNM-SNVBAGLBSA-N 1 1 295.314 1.692 20 5 CDBDMO Cn1nccc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338544866 527605899 /nfs/dbraw/zinc/60/58/99/527605899.db2.gz VHZRNQVHBIEXCJ-UHFFFAOYSA-N 1 1 286.335 1.929 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000091559870 536182263 /nfs/dbraw/zinc/18/22/63/536182263.db2.gz MASNUNLULSBQRD-VXGBXAGGSA-N 1 1 293.371 1.929 20 5 CDBDMO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209553 536431679 /nfs/dbraw/zinc/43/16/79/536431679.db2.gz VMDOYQMBGONMIC-SNVBAGLBSA-N 1 1 293.323 1.324 20 5 CDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209553 536431681 /nfs/dbraw/zinc/43/16/81/536431681.db2.gz VMDOYQMBGONMIC-SNVBAGLBSA-N 1 1 293.323 1.324 20 5 CDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000738081506 574587714 /nfs/dbraw/zinc/58/77/14/574587714.db2.gz LJFDZWKBMVYIGK-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771397435 575574208 /nfs/dbraw/zinc/57/42/08/575574208.db2.gz PRLJNNUCJQJBRE-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000771397435 575574210 /nfs/dbraw/zinc/57/42/10/575574210.db2.gz PRLJNNUCJQJBRE-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742195782 576586130 /nfs/dbraw/zinc/58/61/30/576586130.db2.gz SCTPKYCEGVUGBR-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742195782 576586131 /nfs/dbraw/zinc/58/61/31/576586131.db2.gz SCTPKYCEGVUGBR-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000750066136 576974530 /nfs/dbraw/zinc/97/45/30/576974530.db2.gz GMCYAOSQVAGDSX-QWHCGFSZSA-N 1 1 266.297 1.349 20 5 CDBDMO CC[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795443 617333050 /nfs/dbraw/zinc/33/30/50/617333050.db2.gz RNQGETANAUIJOD-NSHDSACASA-N 1 1 289.339 1.773 20 5 CDBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1C1CC1 ZINC000892875634 617853176 /nfs/dbraw/zinc/85/31/76/617853176.db2.gz HHEPYFUTWGSHJL-DTWKUNHWSA-N 1 1 265.317 1.365 20 5 CDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893872513 618116065 /nfs/dbraw/zinc/11/60/65/618116065.db2.gz KXLBEHMLSZMPAN-QMMMGPOBSA-N 1 1 299.277 1.697 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893872513 618116070 /nfs/dbraw/zinc/11/60/70/618116070.db2.gz KXLBEHMLSZMPAN-QMMMGPOBSA-N 1 1 299.277 1.697 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000895250050 619491237 /nfs/dbraw/zinc/49/12/37/619491237.db2.gz ZVCSEJRMWFXSEU-JOYOIKCWSA-N 1 1 297.334 1.175 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000895767379 619834313 /nfs/dbraw/zinc/83/43/13/619834313.db2.gz LZFUAKIRECLJSQ-SECBINFHSA-N 1 1 269.276 1.342 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCC(C)(C)C1 ZINC000897248654 620442138 /nfs/dbraw/zinc/44/21/38/620442138.db2.gz WAJOAOSEFLCUCL-UHFFFAOYSA-N 1 1 267.333 1.472 20 5 CDBDMO C[NH+]1CCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659370 620852595 /nfs/dbraw/zinc/85/25/95/620852595.db2.gz IPACLLWKGOCUCL-AWEZNQCLSA-N 1 1 279.340 1.312 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000897683769 621072217 /nfs/dbraw/zinc/07/22/17/621072217.db2.gz GRPSTMPTONDAAS-CABZTGNLSA-N 1 1 296.323 1.425 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000897683769 621072220 /nfs/dbraw/zinc/07/22/20/621072220.db2.gz GRPSTMPTONDAAS-CABZTGNLSA-N 1 1 296.323 1.425 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000902541640 624905444 /nfs/dbraw/zinc/90/54/44/624905444.db2.gz JBJADAPTZNMOQA-GFCCVEGCSA-N 1 1 281.360 1.411 20 5 CDBDMO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905152491 626638413 /nfs/dbraw/zinc/63/84/13/626638413.db2.gz DXTVJBZLIAKMGU-HIFRSBDPSA-N 1 1 277.368 1.906 20 5 CDBDMO CC[C@@H](C)Oc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905199488 626687469 /nfs/dbraw/zinc/68/74/69/626687469.db2.gz AXLRTTLASATMMG-SNVBAGLBSA-N 1 1 253.302 1.625 20 5 CDBDMO C[N@H+]1CCC[C@@H]1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912459613 630010572 /nfs/dbraw/zinc/01/05/72/630010572.db2.gz UVYJTKFEPWITAB-SNVBAGLBSA-N 1 1 288.311 1.343 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311686701 1186690018 /nfs/dbraw/zinc/69/00/18/1186690018.db2.gz RQPSIDUPBXNZCS-VIFPVBQESA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408067971 719152947 /nfs/dbraw/zinc/15/29/47/719152947.db2.gz QDQDSWQBPFTNNH-VHSXEESVSA-N 1 1 264.329 1.827 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000590696188 719249526 /nfs/dbraw/zinc/24/95/26/719249526.db2.gz HKFYNADNVJZKCR-RKDXNWHRSA-N 1 1 265.317 1.222 20 5 CDBDMO CCOc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164640292 719223327 /nfs/dbraw/zinc/22/33/27/719223327.db2.gz SDXLICSRGKCTRO-WDEREUQCSA-N 1 1 294.355 1.917 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)O ZINC000886010601 758877086 /nfs/dbraw/zinc/87/70/86/758877086.db2.gz LUGJDMRSJYQTTP-UHFFFAOYSA-N 1 1 253.302 1.583 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866883 758926040 /nfs/dbraw/zinc/92/60/40/758926040.db2.gz BPAYIKOKEPOYDJ-NWDGAFQWSA-N 1 1 280.328 1.416 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866883 758926062 /nfs/dbraw/zinc/92/60/62/758926062.db2.gz BPAYIKOKEPOYDJ-NWDGAFQWSA-N 1 1 280.328 1.416 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c(C)c1[N+](=O)[O-] ZINC000246643152 768836529 /nfs/dbraw/zinc/83/65/29/768836529.db2.gz SIGKULLNXUCEJR-CABZTGNLSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(C)c1[N+](=O)[O-] ZINC000246643152 768836532 /nfs/dbraw/zinc/83/65/32/768836532.db2.gz SIGKULLNXUCEJR-CABZTGNLSA-N 1 1 282.344 1.601 20 5 CDBDMO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525164 768887937 /nfs/dbraw/zinc/88/79/37/768887937.db2.gz NWHXMINWVAAZSH-XVIXHAIJSA-N 1 1 295.383 1.421 20 5 CDBDMO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525164 768887938 /nfs/dbraw/zinc/88/79/38/768887938.db2.gz NWHXMINWVAAZSH-XVIXHAIJSA-N 1 1 295.383 1.421 20 5 CDBDMO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525164 768887939 /nfs/dbraw/zinc/88/79/39/768887939.db2.gz NWHXMINWVAAZSH-XVIXHAIJSA-N 1 1 295.383 1.421 20 5 CDBDMO Cn1cc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])cn1 ZINC000886130227 769065096 /nfs/dbraw/zinc/06/50/96/769065096.db2.gz ZENRAUMDIKPWSM-UHFFFAOYSA-N 1 1 275.312 1.748 20 5 CDBDMO COCCNCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817965507 769088753 /nfs/dbraw/zinc/08/87/53/769088753.db2.gz WFEGFAXTMIWIAS-SNVBAGLBSA-N 1 1 282.344 1.064 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000878498912 769216969 /nfs/dbraw/zinc/21/69/69/769216969.db2.gz RXSNYANALAVGHQ-GXTWGEPZSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000878498912 769217008 /nfs/dbraw/zinc/21/70/08/769217008.db2.gz RXSNYANALAVGHQ-GXTWGEPZSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nc[nH]n1 ZINC000873073032 769320762 /nfs/dbraw/zinc/32/07/62/769320762.db2.gz HXARSOPCFAWRSG-UHFFFAOYSA-N 1 1 275.312 1.662 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173491699 769334568 /nfs/dbraw/zinc/33/45/68/769334568.db2.gz DMTYNLODVLRVIR-ZDUSSCGKSA-N 1 1 295.387 1.639 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823025253 769806606 /nfs/dbraw/zinc/80/66/06/769806606.db2.gz NOBGXDLTSJLEDK-LLVKDONJSA-N 1 1 273.377 1.668 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000886286007 769899394 /nfs/dbraw/zinc/89/93/94/769899394.db2.gz YQCCFVRTKZPXGD-MFKMUULPSA-N 1 1 265.313 1.440 20 5 CDBDMO Cc1nn(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840151769 769907561 /nfs/dbraw/zinc/90/75/61/769907561.db2.gz BLTWTGCGJWGTGX-LBPRGKRZSA-N 1 1 281.360 1.472 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929428767 770314209 /nfs/dbraw/zinc/31/42/09/770314209.db2.gz UXHBEUMCGJYIOM-NSHDSACASA-N 1 1 287.360 1.500 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929428767 770314220 /nfs/dbraw/zinc/31/42/20/770314220.db2.gz UXHBEUMCGJYIOM-NSHDSACASA-N 1 1 287.360 1.500 20 5 CDBDMO C[NH2+]CC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886827135 770738791 /nfs/dbraw/zinc/73/87/91/770738791.db2.gz FJBUURDLLPQOGP-UHFFFAOYSA-N 1 1 264.329 1.421 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C ZINC000925405601 770807853 /nfs/dbraw/zinc/80/78/53/770807853.db2.gz YFRGUWDNRDZZEH-GFCCVEGCSA-N 1 1 292.339 1.440 20 5 CDBDMO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330293 770841480 /nfs/dbraw/zinc/84/14/80/770841480.db2.gz BOYQKPOOMFZVHP-VHRBIJSZSA-N 1 1 279.340 1.297 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055697 770859014 /nfs/dbraw/zinc/85/90/14/770859014.db2.gz NOXGGNGSIJMEIL-GXSJLCMTSA-N 1 1 295.314 1.946 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672003 771036539 /nfs/dbraw/zinc/03/65/39/771036539.db2.gz AULFRKPRNVRRBW-GMTAPVOTSA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672003 771036541 /nfs/dbraw/zinc/03/65/41/771036541.db2.gz AULFRKPRNVRRBW-GMTAPVOTSA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672003 771036550 /nfs/dbraw/zinc/03/65/50/771036550.db2.gz AULFRKPRNVRRBW-GMTAPVOTSA-N 1 1 256.302 1.069 20 5 CDBDMO CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867943879 771121240 /nfs/dbraw/zinc/12/12/40/771121240.db2.gz IYTYFHBLUHQIRV-CYBMUJFWSA-N 1 1 263.297 1.390 20 5 CDBDMO CC[C@](C)(CC(=O)OC)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000851854220 771197548 /nfs/dbraw/zinc/19/75/48/771197548.db2.gz RAOAMDNTTKXKHR-GFCCVEGCSA-N 1 1 285.300 1.713 20 5 CDBDMO COCC(COC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000930440929 771414483 /nfs/dbraw/zinc/41/44/83/771414483.db2.gz PJWLDXVXUDGFAM-UHFFFAOYSA-N 1 1 282.340 1.731 20 5 CDBDMO Cc1nn(C[N@H+](C)C[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000176095253 771889750 /nfs/dbraw/zinc/88/97/50/771889750.db2.gz RWJDICYNCBIZMD-NSHDSACASA-N 1 1 268.317 1.334 20 5 CDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000176095253 771889751 /nfs/dbraw/zinc/88/97/51/771889751.db2.gz RWJDICYNCBIZMD-NSHDSACASA-N 1 1 268.317 1.334 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000882487193 771890684 /nfs/dbraw/zinc/89/06/84/771890684.db2.gz BKJNJNARRVPOLE-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C ZINC000712543819 771893665 /nfs/dbraw/zinc/89/36/65/771893665.db2.gz UHZZHOYUVNGMSV-SECBINFHSA-N 1 1 253.306 1.236 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C ZINC000712543819 771893666 /nfs/dbraw/zinc/89/36/66/771893666.db2.gz UHZZHOYUVNGMSV-SECBINFHSA-N 1 1 253.306 1.236 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000929809187 771895535 /nfs/dbraw/zinc/89/55/35/771895535.db2.gz KRWPHQLKXHWRML-WDEREUQCSA-N 1 1 270.354 1.913 20 5 CDBDMO CC[N@@H+](CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058913 772031773 /nfs/dbraw/zinc/03/17/73/772031773.db2.gz COZOITXRATXPDU-OAHLLOKOSA-N 1 1 295.383 1.948 20 5 CDBDMO CCN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058913 772031779 /nfs/dbraw/zinc/03/17/79/772031779.db2.gz COZOITXRATXPDU-OAHLLOKOSA-N 1 1 295.383 1.948 20 5 CDBDMO [NH3+]CC[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923481808 772137277 /nfs/dbraw/zinc/13/72/77/772137277.db2.gz MAKDFMRCIRFRRZ-SNVBAGLBSA-N 1 1 290.323 1.907 20 5 CDBDMO CC[N@@H+](CCNC[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058912 772395853 /nfs/dbraw/zinc/39/58/53/772395853.db2.gz COZOITXRATXPDU-HNNXBMFYSA-N 1 1 295.383 1.948 20 5 CDBDMO CCN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819058912 772395856 /nfs/dbraw/zinc/39/58/56/772395856.db2.gz COZOITXRATXPDU-HNNXBMFYSA-N 1 1 295.383 1.948 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055696 772496319 /nfs/dbraw/zinc/49/63/19/772496319.db2.gz NOXGGNGSIJMEIL-MWLCHTKSSA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000929603327 772506152 /nfs/dbraw/zinc/50/61/52/772506152.db2.gz MCMDPQWPYIPMBJ-AWEZNQCLSA-N 1 1 282.315 1.848 20 5 CDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839571450 772642033 /nfs/dbraw/zinc/64/20/33/772642033.db2.gz OPIUABCLWMUDOW-QJPTWQEYSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839571450 772642035 /nfs/dbraw/zinc/64/20/35/772642035.db2.gz OPIUABCLWMUDOW-QJPTWQEYSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839571450 772642037 /nfs/dbraw/zinc/64/20/37/772642037.db2.gz OPIUABCLWMUDOW-QJPTWQEYSA-N 1 1 283.372 1.278 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000872771058 772645528 /nfs/dbraw/zinc/64/55/28/772645528.db2.gz DPLWEWIOJUZFEX-LBPRGKRZSA-N 1 1 280.328 1.513 20 5 CDBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000872771058 772645534 /nfs/dbraw/zinc/64/55/34/772645534.db2.gz DPLWEWIOJUZFEX-LBPRGKRZSA-N 1 1 280.328 1.513 20 5 CDBDMO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401255 772658185 /nfs/dbraw/zinc/65/81/85/772658185.db2.gz RVRMIVQXSFAJRJ-NEPJUHHUSA-N 1 1 291.351 1.766 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnnn1C ZINC000873126362 772714530 /nfs/dbraw/zinc/71/45/30/772714530.db2.gz GEUHSVOKUFUNHF-UHFFFAOYSA-N 1 1 275.312 1.630 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000785742877 772753958 /nfs/dbraw/zinc/75/39/58/772753958.db2.gz PMYMSYQICIXQPY-PHIMTYICSA-N 1 1 296.327 1.207 20 5 CDBDMO C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CCO ZINC000886279172 772844778 /nfs/dbraw/zinc/84/47/78/772844778.db2.gz RCKULVWDRVJILJ-WCQYABFASA-N 1 1 279.340 1.973 20 5 CDBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931102891 772889362 /nfs/dbraw/zinc/88/93/62/772889362.db2.gz IMUPXJUIAALMBW-RISCZKNCSA-N 1 1 299.371 1.642 20 5 CDBDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931102891 772889364 /nfs/dbraw/zinc/88/93/64/772889364.db2.gz IMUPXJUIAALMBW-RISCZKNCSA-N 1 1 299.371 1.642 20 5 CDBDMO C[NH+](C)CC1(O)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000931485811 773167555 /nfs/dbraw/zinc/16/75/55/773167555.db2.gz GANHDVCQXHELII-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(N)ccc1[N+](=O)[O-] ZINC000817131731 773455146 /nfs/dbraw/zinc/45/51/46/773455146.db2.gz MOGNLXPEMCEGPV-NSHDSACASA-N 1 1 264.329 1.707 20 5 CDBDMO CC[C@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000854142281 773499482 /nfs/dbraw/zinc/49/94/82/773499482.db2.gz HTDLFCWAYAAVET-JTQLQIEISA-N 1 1 277.284 1.634 20 5 CDBDMO NCc1nccnc1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001171447482 910633951 /nfs/dbraw/zinc/63/39/51/910633951.db2.gz FNXOVHDCXLFUAU-UHFFFAOYSA-N 1 1 286.295 1.190 20 5 CDBDMO COC(=O)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921368 912063193 /nfs/dbraw/zinc/06/31/93/912063193.db2.gz PJVMPGOXGCXBEG-CYBMUJFWSA-N 1 1 292.335 1.947 20 5 CDBDMO CCOC(=O)C(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976001 927560930 /nfs/dbraw/zinc/56/09/30/927560930.db2.gz YEQFOYLLWWJKJB-ZJUUUORDSA-N 1 1 258.318 1.363 20 5 CDBDMO CCN1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006011 927608486 /nfs/dbraw/zinc/60/84/86/927608486.db2.gz FDZWYQYUCKQURB-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@@H+]1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006011 927608497 /nfs/dbraw/zinc/60/84/97/927608497.db2.gz FDZWYQYUCKQURB-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@H+]1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006011 927608505 /nfs/dbraw/zinc/60/85/05/927608505.db2.gz FDZWYQYUCKQURB-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO C[N@H+](CCCN1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028958 927634339 /nfs/dbraw/zinc/63/43/39/927634339.db2.gz SZENSIUXTFWQBQ-ZIAGYGMSSA-N 1 1 269.389 1.850 20 5 CDBDMO C[N@@H+](CCCN1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028958 927634346 /nfs/dbraw/zinc/63/43/46/927634346.db2.gz SZENSIUXTFWQBQ-ZIAGYGMSSA-N 1 1 269.389 1.850 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038201 927646925 /nfs/dbraw/zinc/64/69/25/927646925.db2.gz WRNUJWFGQXMIKI-WDEREUQCSA-N 1 1 258.318 1.317 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037772 927647722 /nfs/dbraw/zinc/64/77/22/927647722.db2.gz UEGYUCDWKFWRQN-QLFBSQMISA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001169037772 927647730 /nfs/dbraw/zinc/64/77/30/927647730.db2.gz UEGYUCDWKFWRQN-QLFBSQMISA-N 1 1 281.400 1.992 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038200 927647899 /nfs/dbraw/zinc/64/78/99/927647899.db2.gz WRNUJWFGQXMIKI-QWRGUYRKSA-N 1 1 258.318 1.317 20 5 CDBDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169040435 927653530 /nfs/dbraw/zinc/65/35/30/927653530.db2.gz ZVMJSDDKBNGBBG-QNSTZXKLSA-N 1 1 296.367 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001169025469 927662368 /nfs/dbraw/zinc/66/23/68/927662368.db2.gz JGDRMUSJRLIXKV-MGPQQGTHSA-N 1 1 267.373 1.602 20 5 CDBDMO CC[N@H+]1CCN(c2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC001117262312 937504611 /nfs/dbraw/zinc/50/46/11/937504611.db2.gz SYCAHXZYAXCQRS-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157264549 938471826 /nfs/dbraw/zinc/47/18/26/938471826.db2.gz FGDGLYUIUAPPHR-ZYHUDNBSSA-N 1 1 277.328 1.224 20 5 CDBDMO CCN(c1ncc([N+](=O)[O-])c(C)c1C)C1C[NH+](C)C1 ZINC001157456028 938494361 /nfs/dbraw/zinc/49/43/61/938494361.db2.gz JIMWVRAECKKVSJ-UHFFFAOYSA-N 1 1 264.329 1.747 20 5 CDBDMO CC(C)Oc1nc(N2CC[N@H+]3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158430661 938623900 /nfs/dbraw/zinc/62/39/00/938623900.db2.gz ICGGISIPIKJYHQ-LLVKDONJSA-N 1 1 292.339 1.671 20 5 CDBDMO C[NH+]1CC2(CN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001158859599 938671663 /nfs/dbraw/zinc/67/16/63/938671663.db2.gz IEGHFMICZLIQQG-UHFFFAOYSA-N 1 1 268.704 1.395 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001160161300 938772526 /nfs/dbraw/zinc/77/25/26/938772526.db2.gz XLDOUFVLSTWWBN-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1CCC[NH2+]C1 ZINC001218286958 941052802 /nfs/dbraw/zinc/05/28/02/941052802.db2.gz WLOVCAJDNACXBO-VIFPVBQESA-N 1 1 262.269 1.602 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001226763703 942064727 /nfs/dbraw/zinc/06/47/27/942064727.db2.gz ZWEIZSWNGAIAQN-ZLKJLUDKSA-N 1 1 276.292 1.778 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462489 942179451 /nfs/dbraw/zinc/17/94/51/942179451.db2.gz GJCGKGPQFVTLAP-SNVBAGLBSA-N 1 1 281.268 1.976 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229456533 942478182 /nfs/dbraw/zinc/47/81/82/942478182.db2.gz VYQURUGIBNQMCX-YABSGUDNSA-N 1 1 293.323 1.337 20 5 CDBDMO Cc1cc(O)c(O[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001229751886 942526193 /nfs/dbraw/zinc/52/61/93/942526193.db2.gz YWSPZQSDEJNSHO-SECBINFHSA-N 1 1 252.270 1.692 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC001234879424 943965271 /nfs/dbraw/zinc/96/52/71/943965271.db2.gz PIMYZWSITATAHE-JTQLQIEISA-N 1 1 281.312 1.860 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)C1 ZINC001254550327 947521033 /nfs/dbraw/zinc/52/10/33/947521033.db2.gz HRFWQIPIVFJXPP-YPMHNXCESA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](F)(CO)C1 ZINC001254552520 947522733 /nfs/dbraw/zinc/52/27/33/947522733.db2.gz MYWIMZLGGNGWDI-BXUZGUMPSA-N 1 1 282.315 1.932 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](F)(CO)C1 ZINC001254552520 947522744 /nfs/dbraw/zinc/52/27/44/947522744.db2.gz MYWIMZLGGNGWDI-BXUZGUMPSA-N 1 1 282.315 1.932 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001333413824 958320427 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/nfs/dbraw/zinc/77/76/58/364777658.db2.gz PMJZJANAXRYZOG-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000545953356 364792686 /nfs/dbraw/zinc/79/26/86/364792686.db2.gz FLEFZPOUJHQBCM-SNVBAGLBSA-N 1 1 297.742 1.816 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368485 364809022 /nfs/dbraw/zinc/80/90/22/364809022.db2.gz CLIFASQEWXSLJQ-PWSUYJOCSA-N 1 1 280.324 1.806 20 5 CDBDMO Cn1c(C(=O)NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457077362 365374890 /nfs/dbraw/zinc/37/48/90/365374890.db2.gz PNASGUUYQRQERR-UHFFFAOYSA-N 1 1 294.355 1.538 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000270886737 366941990 /nfs/dbraw/zinc/94/19/90/366941990.db2.gz KUSQDAGEKRPRAH-CABZTGNLSA-N 1 1 291.307 1.939 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000270886737 366941998 /nfs/dbraw/zinc/94/19/98/366941998.db2.gz KUSQDAGEKRPRAH-CABZTGNLSA-N 1 1 291.307 1.939 20 5 CDBDMO COCCNCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414880481 368663872 /nfs/dbraw/zinc/66/38/72/368663872.db2.gz JCCCKYQMQHFUOI-XQRVVYSFSA-N 1 1 279.340 1.434 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000170769919 368989118 /nfs/dbraw/zinc/98/91/18/368989118.db2.gz ROKCRXOBBNTDGV-SNVBAGLBSA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000170769919 368989124 /nfs/dbraw/zinc/98/91/24/368989124.db2.gz ROKCRXOBBNTDGV-SNVBAGLBSA-N 1 1 293.323 1.305 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170781927 369051731 /nfs/dbraw/zinc/05/17/31/369051731.db2.gz LKSUKSBJNJMOAN-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000330925298 203394208 /nfs/dbraw/zinc/39/42/08/203394208.db2.gz GZGZAFSEKMYEHE-JTQLQIEISA-N 1 1 297.330 1.878 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290202085 369826087 /nfs/dbraw/zinc/82/60/87/369826087.db2.gz UBNVXBPWYBMMSO-JQWIXIFHSA-N 1 1 297.267 1.006 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368337029 373323192 /nfs/dbraw/zinc/32/31/92/373323192.db2.gz SCEUDFCQSBEJOZ-GDNZZTSVSA-N 1 1 278.308 1.144 20 5 CDBDMO C[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153507777 373694396 /nfs/dbraw/zinc/69/43/96/373694396.db2.gz MBNPNMMDKTWTNB-UHFFFAOYSA-N 1 1 270.720 1.785 20 5 CDBDMO CCc1nn(C)c(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000274025603 374071889 /nfs/dbraw/zinc/07/18/89/374071889.db2.gz WLJCNUNLTFHXFE-UHFFFAOYSA-N 1 1 279.344 1.565 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588239 374319410 /nfs/dbraw/zinc/31/94/10/374319410.db2.gz DFFRFEJGVBLZHP-MFKMUULPSA-N 1 1 290.323 1.156 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426457691 374468600 /nfs/dbraw/zinc/46/86/00/374468600.db2.gz YVCWGLXCFAXWNH-VHSXEESVSA-N 1 1 250.302 1.703 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(CO)CCC1 ZINC000429253963 374577336 /nfs/dbraw/zinc/57/73/36/374577336.db2.gz CUMYLMSERFGBNX-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO Cc1[nH]nc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000424084234 246326628 /nfs/dbraw/zinc/32/66/28/246326628.db2.gz YPPYBUKFTDOABF-NRPADANISA-N 1 1 295.343 1.072 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000377493420 374604685 /nfs/dbraw/zinc/60/46/85/374604685.db2.gz LMNPVJXTPPGBEH-LBPRGKRZSA-N 1 1 264.329 1.913 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274496127 374675288 /nfs/dbraw/zinc/67/52/88/374675288.db2.gz QLEGOOHJJNRGFA-DCAQKATOSA-N 1 1 266.297 1.083 20 5 CDBDMO C[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274584825 374677495 /nfs/dbraw/zinc/67/74/95/374677495.db2.gz GAFIBUSDCNLPKV-UHFFFAOYSA-N 1 1 279.296 1.078 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274584825 374677497 /nfs/dbraw/zinc/67/74/97/374677497.db2.gz GAFIBUSDCNLPKV-UHFFFAOYSA-N 1 1 279.296 1.078 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CO)C1 ZINC000092763345 374701535 /nfs/dbraw/zinc/70/15/35/374701535.db2.gz NHGOUUOXSARHRP-PYEVWLCESA-N 1 1 262.309 1.922 20 5 CDBDMO CCOCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093312519 374740922 /nfs/dbraw/zinc/74/09/22/374740922.db2.gz XJTCTIOYZSHVBB-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000330582224 374866705 /nfs/dbraw/zinc/86/67/05/374866705.db2.gz RFDFESGSGGUNOB-CYBMUJFWSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000330582224 374866720 /nfs/dbraw/zinc/86/67/20/374866720.db2.gz RFDFESGSGGUNOB-CYBMUJFWSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960498 374978892 /nfs/dbraw/zinc/97/88/92/374978892.db2.gz HCHNXRUOMZYQEV-LBPRGKRZSA-N 1 1 268.317 1.028 20 5 CDBDMO Cc1cnn(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332129965 375006718 /nfs/dbraw/zinc/00/67/18/375006718.db2.gz GSXPLRKCNBUSES-UHFFFAOYSA-N 1 1 287.323 1.553 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000331568017 374973342 /nfs/dbraw/zinc/97/33/42/374973342.db2.gz VUYQXNFINHLBCK-ZANVPECISA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1CO ZINC000331568017 374973348 /nfs/dbraw/zinc/97/33/48/374973348.db2.gz VUYQXNFINHLBCK-ZANVPECISA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293918153 375433977 /nfs/dbraw/zinc/43/39/77/375433977.db2.gz MITCSBRIGIRLDA-ONGXEEELSA-N 1 1 284.337 1.260 20 5 CDBDMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000058438131 375757981 /nfs/dbraw/zinc/75/79/81/375757981.db2.gz MZKSBDWTTWSEQK-JTQLQIEISA-N 1 1 285.731 1.991 20 5 CDBDMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000058438131 375757986 /nfs/dbraw/zinc/75/79/86/375757986.db2.gz MZKSBDWTTWSEQK-JTQLQIEISA-N 1 1 285.731 1.991 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048577137 375882625 /nfs/dbraw/zinc/88/26/25/375882625.db2.gz FCFFOIIBPQCNHJ-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048577137 375882629 /nfs/dbraw/zinc/88/26/29/375882629.db2.gz FCFFOIIBPQCNHJ-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000194733008 375958120 /nfs/dbraw/zinc/95/81/20/375958120.db2.gz CWKBZRPZCOADMA-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004350 376115969 /nfs/dbraw/zinc/11/59/69/376115969.db2.gz ZFTZLXHMFAOFCA-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433295790 248019656 /nfs/dbraw/zinc/01/96/56/248019656.db2.gz FSXKEBNQASXCBQ-LBPRGKRZSA-N 1 1 280.328 1.171 20 5 CDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000443519731 250037916 /nfs/dbraw/zinc/03/79/16/250037916.db2.gz WVGIMHTWLTYKAC-UHFFFAOYSA-N 1 1 258.347 1.615 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000444708025 250172674 /nfs/dbraw/zinc/17/26/74/250172674.db2.gz QOSRUPZHBLDNSD-ZJUUUORDSA-N 1 1 290.323 1.531 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000444708025 250172679 /nfs/dbraw/zinc/17/26/79/250172679.db2.gz QOSRUPZHBLDNSD-ZJUUUORDSA-N 1 1 290.323 1.531 20 5 CDBDMO Cn1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446852918 250321630 /nfs/dbraw/zinc/32/16/30/250321630.db2.gz RGBBRHQPMAHTQQ-UHFFFAOYSA-N 1 1 286.295 1.494 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000246118658 379424085 /nfs/dbraw/zinc/42/40/85/379424085.db2.gz CSZXWNOYANGEHE-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489498206 253000218 /nfs/dbraw/zinc/00/02/18/253000218.db2.gz QBFOBBXEZBLNLF-LBPRGKRZSA-N 1 1 277.324 1.924 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489498206 253000221 /nfs/dbraw/zinc/00/02/21/253000221.db2.gz QBFOBBXEZBLNLF-LBPRGKRZSA-N 1 1 277.324 1.924 20 5 CDBDMO C[C@H]1CCSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286036699 390190310 /nfs/dbraw/zinc/19/03/10/390190310.db2.gz IBXYADWFBHHLLO-JTQLQIEISA-N 1 1 270.358 1.619 20 5 CDBDMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360082928 390247056 /nfs/dbraw/zinc/24/70/56/390247056.db2.gz NRYLHVBEQYFVBJ-UONOGXRCSA-N 1 1 295.314 1.562 20 5 CDBDMO CC1(C)CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000450952014 390582875 /nfs/dbraw/zinc/58/28/75/390582875.db2.gz RCRAYCSPGJGHHV-UHFFFAOYSA-N 1 1 265.317 1.093 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413143189 391165699 /nfs/dbraw/zinc/16/56/99/391165699.db2.gz RRAWQMRRKLYUOJ-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000408068501 391239064 /nfs/dbraw/zinc/23/90/64/391239064.db2.gz VPXNXCQLXICPAZ-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000408070159 391240002 /nfs/dbraw/zinc/24/00/02/391240002.db2.gz FNCCNWPQETZLKU-IUCAKERBSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000408070159 391240004 /nfs/dbraw/zinc/24/00/04/391240004.db2.gz FNCCNWPQETZLKU-IUCAKERBSA-N 1 1 267.285 1.352 20 5 CDBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000292635297 391631968 /nfs/dbraw/zinc/63/19/68/391631968.db2.gz AJUWAPAFJOSFNM-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000266237282 391688952 /nfs/dbraw/zinc/68/89/52/391688952.db2.gz VXBOLTDDYJUTMG-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000266237282 391688956 /nfs/dbraw/zinc/68/89/56/391688956.db2.gz VXBOLTDDYJUTMG-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629748 391747617 /nfs/dbraw/zinc/74/76/17/391747617.db2.gz KLDINHGBXWBOBP-VIFPVBQESA-N 1 1 268.292 1.883 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413246809 391727114 /nfs/dbraw/zinc/72/71/14/391727114.db2.gz HUYVLURJTSLTDS-NXEZZACHSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413246809 391727116 /nfs/dbraw/zinc/72/71/16/391727116.db2.gz HUYVLURJTSLTDS-NXEZZACHSA-N 1 1 298.318 1.020 20 5 CDBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000190182891 130070332 /nfs/dbraw/zinc/07/03/32/130070332.db2.gz BVUXLAVRORNJHY-UHFFFAOYSA-N 1 1 256.327 1.859 20 5 CDBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000190182891 130070333 /nfs/dbraw/zinc/07/03/33/130070333.db2.gz BVUXLAVRORNJHY-UHFFFAOYSA-N 1 1 256.327 1.859 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000190229298 130075614 /nfs/dbraw/zinc/07/56/14/130075614.db2.gz UBLUYQHTGKNDIF-UHFFFAOYSA-N 1 1 287.266 1.238 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CO ZINC000191732093 130289885 /nfs/dbraw/zinc/28/98/85/130289885.db2.gz PCPRIXDSZOUOFN-SCZZXKLOSA-N 1 1 256.327 1.717 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CO ZINC000191732093 130289887 /nfs/dbraw/zinc/28/98/87/130289887.db2.gz PCPRIXDSZOUOFN-SCZZXKLOSA-N 1 1 256.327 1.717 20 5 CDBDMO CC[N@H+]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265110693 391899036 /nfs/dbraw/zinc/89/90/36/391899036.db2.gz HLYXEPYXBPMJOY-UHFFFAOYSA-N 1 1 267.333 1.169 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000443508918 392584232 /nfs/dbraw/zinc/58/42/32/392584232.db2.gz HPIOELBIMLAJRI-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223684 393095230 /nfs/dbraw/zinc/09/52/30/393095230.db2.gz VKGDJSABGUMDCP-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1CCO ZINC000426262905 393040385 /nfs/dbraw/zinc/04/03/85/393040385.db2.gz HUFFECOUGCHYAH-GFCCVEGCSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1O ZINC000426218464 393040512 /nfs/dbraw/zinc/04/05/12/393040512.db2.gz DYGNFJHFUPAVEA-GHMZBOCLSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[C@@H](O)C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000118752875 393110945 /nfs/dbraw/zinc/11/09/45/393110945.db2.gz FMDVONOJUMFIJS-GFCCVEGCSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449570043 393133568 /nfs/dbraw/zinc/13/35/68/393133568.db2.gz FWLJPFIGIPQKIT-CYBMUJFWSA-N 1 1 296.302 1.072 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000334008566 393189053 /nfs/dbraw/zinc/18/90/53/393189053.db2.gz UZIXNTRLTLYMHT-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H]1C(=O)NCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189339703 140114207 /nfs/dbraw/zinc/11/42/07/140114207.db2.gz QTAVIENFNMQFJL-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H]1C(=O)NCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189339703 140114208 /nfs/dbraw/zinc/11/42/08/140114208.db2.gz QTAVIENFNMQFJL-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO Cc1ccnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675282 140323035 /nfs/dbraw/zinc/32/30/35/140323035.db2.gz ZELXOTZYJFOEAR-NWDGAFQWSA-N 1 1 292.339 1.573 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660324 155330499 /nfs/dbraw/zinc/33/04/99/155330499.db2.gz NHQMLXIJPHXBOW-STQMWFEESA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343422220 152167140 /nfs/dbraw/zinc/16/71/40/152167140.db2.gz CFOOSGLPSZIXPX-SCZZXKLOSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@H+]1C ZINC000343561359 152225548 /nfs/dbraw/zinc/22/55/48/152225548.db2.gz QAFCSVZZOWIHAN-DTWKUNHWSA-N 1 1 267.285 1.400 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072108 159059515 /nfs/dbraw/zinc/05/95/15/159059515.db2.gz KORGDFQEMLHZOP-JQWIXIFHSA-N 1 1 280.324 1.664 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362328512 159122029 /nfs/dbraw/zinc/12/20/29/159122029.db2.gz SPIXGODMMJKCGM-PSASIEDQSA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362328512 159122031 /nfs/dbraw/zinc/12/20/31/159122031.db2.gz SPIXGODMMJKCGM-PSASIEDQSA-N 1 1 284.287 1.698 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000284734904 196120706 /nfs/dbraw/zinc/12/07/06/196120706.db2.gz UFAGHIXPLGHETR-OLZOCXBDSA-N 1 1 290.323 1.193 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000284734904 196120707 /nfs/dbraw/zinc/12/07/07/196120707.db2.gz UFAGHIXPLGHETR-OLZOCXBDSA-N 1 1 290.323 1.193 20 5 CDBDMO C[C@H](C(=O)NC1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285254154 196234005 /nfs/dbraw/zinc/23/40/05/196234005.db2.gz HIAPDTQKKQRBBZ-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285254154 196234007 /nfs/dbraw/zinc/23/40/07/196234007.db2.gz HIAPDTQKKQRBBZ-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO O=[N+]([O-])c1c(F)cccc1NCCC[NH+]1CCOCC1 ZINC000037420835 173197432 /nfs/dbraw/zinc/19/74/32/173197432.db2.gz ZDFYKDLARUWOTK-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO Cc1cc(NC2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000037998832 173960774 /nfs/dbraw/zinc/96/07/74/173960774.db2.gz JLRJLVRSDJWSEF-UHFFFAOYSA-N 1 1 292.339 1.265 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071893376 176291584 /nfs/dbraw/zinc/29/15/84/176291584.db2.gz HKWWREZTVUWPFF-LBPRGKRZSA-N 1 1 277.324 1.205 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805853 262369024 /nfs/dbraw/zinc/36/90/24/262369024.db2.gz FQQOXEBGRIKVFU-LLVKDONJSA-N 1 1 277.324 1.666 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043050 274051923 /nfs/dbraw/zinc/05/19/23/274051923.db2.gz USSPINOZZAYCKW-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332351121 277154007 /nfs/dbraw/zinc/15/40/07/277154007.db2.gz ZKABTWMZWZDMIN-CABCVRRESA-N 1 1 291.351 1.500 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349299892 278288118 /nfs/dbraw/zinc/28/81/18/278288118.db2.gz RTOZNFQEENFOJP-ZRQQLDRUSA-N 1 1 250.298 1.921 20 5 CDBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000419373642 279099194 /nfs/dbraw/zinc/09/91/94/279099194.db2.gz OOBLXJJNJIYRLX-BBBLOLIVSA-N 1 1 252.318 1.805 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(F)(F)C[NH3+] ZINC000423336437 279382006 /nfs/dbraw/zinc/38/20/06/279382006.db2.gz GXIZCJSVNXMAJB-SECBINFHSA-N 1 1 273.283 1.709 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420637375 281009738 /nfs/dbraw/zinc/00/97/38/281009738.db2.gz OLURCLPXUQSYKG-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000345037816 281010930 /nfs/dbraw/zinc/01/09/30/281010930.db2.gz QXSAMPKBRBDOAB-ZDUSSCGKSA-N 1 1 293.367 1.796 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@@H+](C)C1CC1 ZINC000551117965 290000784 /nfs/dbraw/zinc/00/07/84/290000784.db2.gz AJBLRJAEQCOSTI-SECBINFHSA-N 1 1 280.328 1.146 20 5 CDBDMO CCOc1cc(OCc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000575920260 317038656 /nfs/dbraw/zinc/03/86/56/317038656.db2.gz SBUPESONFRXJQM-UHFFFAOYSA-N 1 1 294.267 1.414 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000577002857 317248155 /nfs/dbraw/zinc/24/81/55/317248155.db2.gz KLCBWMSHSPETLJ-LBPRGKRZSA-N 1 1 287.323 1.713 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000379638428 323603651 /nfs/dbraw/zinc/60/36/51/323603651.db2.gz SVLVMWCFJROWNY-PLNGDYQASA-N 1 1 285.250 1.318 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000368871984 527347547 /nfs/dbraw/zinc/34/75/47/527347547.db2.gz FERNUCASAGYQOX-CQSZACIVSA-N 1 1 287.323 1.676 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCOCC2)cc1 ZINC000363374276 527370458 /nfs/dbraw/zinc/37/04/58/527370458.db2.gz RWMCLVKUSRUMBM-UHFFFAOYSA-N 1 1 266.297 1.696 20 5 CDBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306269 528590664 /nfs/dbraw/zinc/59/06/64/528590664.db2.gz KBGJUPRWLNAJEP-TZMCWYRMSA-N 1 1 296.371 1.663 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401446 575575177 /nfs/dbraw/zinc/57/51/77/575575177.db2.gz DVZOWBBLZAWWSM-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401446 575575179 /nfs/dbraw/zinc/57/51/79/575575179.db2.gz DVZOWBBLZAWWSM-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000766613609 576116307 /nfs/dbraw/zinc/11/63/07/576116307.db2.gz KVGGTONPYAZOQQ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC000766613609 576116309 /nfs/dbraw/zinc/11/63/09/576116309.db2.gz KVGGTONPYAZOQQ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@@H]1COCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117879 576976418 /nfs/dbraw/zinc/97/64/18/576976418.db2.gz WCBLSUDOLFXBKK-RISCZKNCSA-N 1 1 280.324 1.739 20 5 CDBDMO O=[N+]([O-])c1sccc1N1CC[NH+](CCCCO)CC1 ZINC000750179872 576980367 /nfs/dbraw/zinc/98/03/67/576980367.db2.gz KYNXPIZZGYKQIH-UHFFFAOYSA-N 1 1 285.369 1.551 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CC2)CC1 ZINC000892074716 617463837 /nfs/dbraw/zinc/46/38/37/617463837.db2.gz FSCZIJCRQVRMCT-UHFFFAOYSA-N 1 1 278.312 1.283 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891781379 617585389 /nfs/dbraw/zinc/58/53/89/617585389.db2.gz IEIPZDCJSHHBFG-SNVBAGLBSA-N 1 1 292.339 1.895 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776591996 617685974 /nfs/dbraw/zinc/68/59/74/617685974.db2.gz NXBQUGCHUYMRAL-SMDDNHRTSA-N 1 1 280.324 1.597 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934035351 617882887 /nfs/dbraw/zinc/88/28/87/617882887.db2.gz NDHAMPUWDPTBSQ-TZMCWYRMSA-N 1 1 296.323 1.497 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000893938746 618199372 /nfs/dbraw/zinc/19/93/72/618199372.db2.gz FPEMOMGAONYBII-WDEREUQCSA-N 1 1 279.344 1.260 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000895315972 619545996 /nfs/dbraw/zinc/54/59/96/619545996.db2.gz LFALYQYJOISJPA-LLVKDONJSA-N 1 1 281.287 1.348 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000897680170 621067851 /nfs/dbraw/zinc/06/78/51/621067851.db2.gz QFZMHLCYGIWYGU-KCJUWKMLSA-N 1 1 282.296 1.122 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000897680170 621067857 /nfs/dbraw/zinc/06/78/57/621067857.db2.gz QFZMHLCYGIWYGU-KCJUWKMLSA-N 1 1 282.296 1.122 20 5 CDBDMO CCOc1cc2c(cc1C[NH2+]CC[N+](=O)[O-])O[C@@H](C)C2 ZINC000899860864 622487501 /nfs/dbraw/zinc/48/75/01/622487501.db2.gz NVWPCVLOSDHVRI-JTQLQIEISA-N 1 1 280.324 1.775 20 5 CDBDMO C[C@]12C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000902614070 625027528 /nfs/dbraw/zinc/02/75/28/625027528.db2.gz DHEHTPXLGXEVPU-KZVDOYCCSA-N 1 1 274.324 1.893 20 5 CDBDMO COc1cc2c(cc1C[NH2+]CC[N+](=O)[O-])O[C@@H](C)C2 ZINC000905183721 626665344 /nfs/dbraw/zinc/66/53/44/626665344.db2.gz UWIVPIRXEMEDBS-VIFPVBQESA-N 1 1 266.297 1.385 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905402482 626797634 /nfs/dbraw/zinc/79/76/34/626797634.db2.gz ZMMPMOKTWJXGNA-UKRRQHHQSA-N 1 1 277.368 1.621 20 5 CDBDMO Cc1ccccc1C[N@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929204078 632885803 /nfs/dbraw/zinc/88/58/03/632885803.db2.gz QRCDANRPRSIRJX-UHFFFAOYSA-N 1 1 277.368 1.779 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1-n1cnc(C[NH3+])cc1=N ZINC001167358453 1158636671 /nfs/dbraw/zinc/63/66/71/1158636671.db2.gz TVOAHMZMXFDRJW-UHFFFAOYSA-N 1 1 259.269 1.027 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327223 1162337758 /nfs/dbraw/zinc/33/77/58/1162337758.db2.gz GABUKHKGASLTAY-DGCLKSJQSA-N 1 1 294.351 1.991 20 5 CDBDMO CCN(c1cnc2cc([N+](=O)[O-])ccc2n1)C1C[NH+](C)C1 ZINC001157455440 1162092909 /nfs/dbraw/zinc/09/29/09/1162092909.db2.gz JXQZEXQLPWKMJO-UHFFFAOYSA-N 1 1 287.323 1.678 20 5 CDBDMO CC[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622031 1178224943 /nfs/dbraw/zinc/22/49/43/1178224943.db2.gz UMYIAPRCOWXMAA-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622031 1178224947 /nfs/dbraw/zinc/22/49/47/1178224947.db2.gz UMYIAPRCOWXMAA-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[NH+](C)CC(C)(C)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158604624 1178225555 /nfs/dbraw/zinc/22/55/55/1178225555.db2.gz WHVAPFOJXXZHSQ-CQSZACIVSA-N 1 1 295.383 1.806 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301658151 719371963 /nfs/dbraw/zinc/37/19/63/719371963.db2.gz LTKOXILMHHCEGG-MNOVXSKESA-N 1 1 298.730 1.162 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164664975 719386273 /nfs/dbraw/zinc/38/62/73/719386273.db2.gz DFPGDJFSTOSHHP-UWVGGRQHSA-N 1 1 298.730 1.162 20 5 CDBDMO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812577 773742906 /nfs/dbraw/zinc/74/29/06/773742906.db2.gz LGUBGRPHVTYDBI-XJFOESAGSA-N 1 1 295.383 1.088 20 5 CDBDMO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812577 773742913 /nfs/dbraw/zinc/74/29/13/773742913.db2.gz LGUBGRPHVTYDBI-XJFOESAGSA-N 1 1 295.383 1.088 20 5 CDBDMO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812577 773742920 /nfs/dbraw/zinc/74/29/20/773742920.db2.gz LGUBGRPHVTYDBI-XJFOESAGSA-N 1 1 295.383 1.088 20 5 CDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000935046605 773832433 /nfs/dbraw/zinc/83/24/33/773832433.db2.gz YNIUDTHPYSUTQL-UHFFFAOYSA-N 1 1 295.364 1.752 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC[N+](=O)[O-] ZINC000929625314 774098419 /nfs/dbraw/zinc/09/84/19/774098419.db2.gz VNCMAHWJPAODAW-CYBMUJFWSA-N 1 1 263.341 1.469 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)O1 ZINC000821341750 774244052 /nfs/dbraw/zinc/24/40/52/774244052.db2.gz CWDFCFPHOHOGIL-LLVKDONJSA-N 1 1 264.281 1.732 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)O1 ZINC000821341750 774244080 /nfs/dbraw/zinc/24/40/80/774244080.db2.gz CWDFCFPHOHOGIL-LLVKDONJSA-N 1 1 264.281 1.732 20 5 CDBDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930481904 774712121 /nfs/dbraw/zinc/71/21/21/774712121.db2.gz UATAAQKUDLRVOY-NSHDSACASA-N 1 1 273.333 1.252 20 5 CDBDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930481904 774712129 /nfs/dbraw/zinc/71/21/29/774712129.db2.gz UATAAQKUDLRVOY-NSHDSACASA-N 1 1 273.333 1.252 20 5 CDBDMO C[C@](CO)([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000929669320 774838217 /nfs/dbraw/zinc/83/82/17/774838217.db2.gz LYWMPFFNQVHXJC-LLVKDONJSA-N 1 1 292.257 1.779 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839455340 774867846 /nfs/dbraw/zinc/86/78/46/774867846.db2.gz PHMXISIWXYKVLN-MGPQQGTHSA-N 1 1 289.335 1.042 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839455340 774867847 /nfs/dbraw/zinc/86/78/47/774867847.db2.gz PHMXISIWXYKVLN-MGPQQGTHSA-N 1 1 289.335 1.042 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839455340 774867848 /nfs/dbraw/zinc/86/78/48/774867848.db2.gz PHMXISIWXYKVLN-MGPQQGTHSA-N 1 1 289.335 1.042 20 5 CDBDMO CO[C@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306924 775025458 /nfs/dbraw/zinc/02/54/58/775025458.db2.gz DHIILOPPHJXFMS-JQWIXIFHSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306924 775025463 /nfs/dbraw/zinc/02/54/63/775025463.db2.gz DHIILOPPHJXFMS-JQWIXIFHSA-N 1 1 265.313 1.989 20 5 CDBDMO CC1CCC([NH+]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000839683208 775986719 /nfs/dbraw/zinc/98/67/19/775986719.db2.gz LXIBLIAMGNXGEZ-NWINJMCUSA-N 1 1 295.383 1.375 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000776274536 776357534 /nfs/dbraw/zinc/35/75/34/776357534.db2.gz DVBWFQSMSYYVIV-GYSYKLTISA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000776274536 776357546 /nfs/dbraw/zinc/35/75/46/776357546.db2.gz DVBWFQSMSYYVIV-GYSYKLTISA-N 1 1 280.324 1.737 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872320188 776514639 /nfs/dbraw/zinc/51/46/39/776514639.db2.gz MGSYQLXGYUFZSE-MBNYWOFBSA-N 1 1 278.308 1.206 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987511 777040558 /nfs/dbraw/zinc/04/05/58/777040558.db2.gz FYIGBNQZKMOXHC-RNCFNFMXSA-N 1 1 292.295 1.643 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000930686467 777072741 /nfs/dbraw/zinc/07/27/41/777072741.db2.gz YJNXOXQNNCPSSF-CHWSQXEVSA-N 1 1 278.308 1.152 20 5 CDBDMO CC1(C)CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000890081440 777380764 /nfs/dbraw/zinc/38/07/64/777380764.db2.gz IQDYXTCHNZPVDV-UHFFFAOYSA-N 1 1 281.312 1.650 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642018 777511117 /nfs/dbraw/zinc/51/11/17/777511117.db2.gz WFMOGVMOZCJAKQ-GXFFZTMASA-N 1 1 268.313 1.595 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035024 777671723 /nfs/dbraw/zinc/67/17/23/777671723.db2.gz DYDSEPNIFQAYHY-GXTWGEPZSA-N 1 1 280.324 1.221 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000873105675 777861500 /nfs/dbraw/zinc/86/15/00/777861500.db2.gz ALOVQZBAGKDPQV-HNNXBMFYSA-N 1 1 293.367 1.368 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000873105675 777861503 /nfs/dbraw/zinc/86/15/03/777861503.db2.gz ALOVQZBAGKDPQV-HNNXBMFYSA-N 1 1 293.367 1.368 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000110732576 777889614 /nfs/dbraw/zinc/88/96/14/777889614.db2.gz JXEKERQTXSZZGV-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000110732576 777889615 /nfs/dbraw/zinc/88/96/15/777889615.db2.gz JXEKERQTXSZZGV-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840425712 778080578 /nfs/dbraw/zinc/08/05/78/778080578.db2.gz OIVUZKHZXLCXCQ-CHWSQXEVSA-N 1 1 297.399 1.813 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@H]21 ZINC000246928933 778134678 /nfs/dbraw/zinc/13/46/78/778134678.db2.gz HBHNNMFBTHPEDP-VXGBXAGGSA-N 1 1 279.344 1.165 20 5 CDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000930377376 778164078 /nfs/dbraw/zinc/16/40/78/778164078.db2.gz SSQMYWAPNPJOJK-AWEZNQCLSA-N 1 1 263.341 1.122 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CC1 ZINC000843773998 778632365 /nfs/dbraw/zinc/63/23/65/778632365.db2.gz KXKBQKIZVSOLIQ-UHFFFAOYSA-N 1 1 295.314 1.866 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881804853 778745681 /nfs/dbraw/zinc/74/56/81/778745681.db2.gz VBUXXWGGFSLEGU-UHFFFAOYSA-N 1 1 286.307 1.509 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000929929307 778861398 /nfs/dbraw/zinc/86/13/98/778861398.db2.gz HKKFYUOHVKTMTO-ZIAGYGMSSA-N 1 1 264.325 1.851 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520379 778964740 /nfs/dbraw/zinc/96/47/40/778964740.db2.gz XTSUIWMDZAOQRX-QWHCGFSZSA-N 1 1 291.351 1.515 20 5 CDBDMO Cc1noc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000886481961 779002183 /nfs/dbraw/zinc/00/21/83/779002183.db2.gz PACZNVJOGNBWBE-RKDXNWHRSA-N 1 1 255.274 1.236 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000886481961 779002190 /nfs/dbraw/zinc/00/21/90/779002190.db2.gz PACZNVJOGNBWBE-RKDXNWHRSA-N 1 1 255.274 1.236 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037647002 779074072 /nfs/dbraw/zinc/07/40/72/779074072.db2.gz QJBDQGOXXFLVNA-SECBINFHSA-N 1 1 281.287 1.415 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886568838 779520358 /nfs/dbraw/zinc/52/03/58/779520358.db2.gz XJDJIWHXZWHVRM-MBNYWOFBSA-N 1 1 294.376 1.923 20 5 CDBDMO CCC[N@@H+]1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113709 779595981 /nfs/dbraw/zinc/59/59/81/779595981.db2.gz KGLMSIWXGBWPJE-DZGCQCFKSA-N 1 1 293.367 1.702 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113709 779595988 /nfs/dbraw/zinc/59/59/88/779595988.db2.gz KGLMSIWXGBWPJE-DZGCQCFKSA-N 1 1 293.367 1.702 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000123496125 779900747 /nfs/dbraw/zinc/90/07/47/779900747.db2.gz DWSVCTLKKCCPIQ-UHFFFAOYSA-N 1 1 278.243 1.878 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000810616050 779995564 /nfs/dbraw/zinc/99/55/64/779995564.db2.gz SWEFTJVLOOMCHK-SECBINFHSA-N 1 1 292.295 1.684 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000699441326 913810468 /nfs/dbraw/zinc/81/04/68/913810468.db2.gz UWHDDPVHXQNWII-LLVKDONJSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000699441326 913810483 /nfs/dbraw/zinc/81/04/83/913810483.db2.gz UWHDDPVHXQNWII-LLVKDONJSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CC[C@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223485511 901518023 /nfs/dbraw/zinc/51/80/23/901518023.db2.gz FUQOAWMWOGGVRK-LBPRGKRZSA-N 1 1 281.268 1.724 20 5 CDBDMO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964178 927586437 /nfs/dbraw/zinc/58/64/37/927586437.db2.gz RMSMZEKVAULJGI-AXFHLTTASA-N 1 1 272.345 1.752 20 5 CDBDMO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968417 927592545 /nfs/dbraw/zinc/59/25/45/927592545.db2.gz YXXCSYNFGMSULR-SRVKXCTJSA-N 1 1 272.345 1.609 20 5 CDBDMO CCCCCOC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004911 927607961 /nfs/dbraw/zinc/60/79/61/927607961.db2.gz RYRSLPHYCKWSBE-RYUDHWBXSA-N 1 1 272.345 1.755 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@](O)(CF)CC2)C1 ZINC001169011280 927617802 /nfs/dbraw/zinc/61/78/02/927617802.db2.gz JDXHNNDRLNPRTD-FRRDWIJNSA-N 1 1 274.336 1.618 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014008 927620413 /nfs/dbraw/zinc/62/04/13/927620413.db2.gz XSMNURVRLUWRBK-QNWHQSFQSA-N 1 1 254.330 1.400 20 5 CDBDMO COC(=O)[C@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033674 927640588 /nfs/dbraw/zinc/64/05/88/927640588.db2.gz DHZPEUIQASJJRO-SRVKXCTJSA-N 1 1 270.329 1.317 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038323 927649364 /nfs/dbraw/zinc/64/93/64/927649364.db2.gz YCONIEFFOWVLLJ-XQQFMLRXSA-N 1 1 284.356 1.707 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039521 927650562 /nfs/dbraw/zinc/65/05/62/927650562.db2.gz QVOUUTYJXYOSFI-QWHCGFSZSA-N 1 1 284.356 1.313 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ncccn3)C2)C1 ZINC001169050629 927668712 /nfs/dbraw/zinc/66/87/12/927668712.db2.gz CANLJZIUOAFASH-AGIUHOORSA-N 1 1 292.339 1.375 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169052496 927670104 /nfs/dbraw/zinc/67/01/04/927670104.db2.gz GGJKJQQHOUOVLM-UPJWGTAASA-N 1 1 284.356 1.707 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055780 927670831 /nfs/dbraw/zinc/67/08/31/927670831.db2.gz QGESFCKOWWOOJS-ZYHUDNBSSA-N 1 1 250.302 1.354 20 5 CDBDMO CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054628 927672017 /nfs/dbraw/zinc/67/20/17/927672017.db2.gz NBEMLNIGHOHWOC-IGQOVBAYSA-N 1 1 267.373 1.315 20 5 CDBDMO CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054628 927672022 /nfs/dbraw/zinc/67/20/22/927672022.db2.gz NBEMLNIGHOHWOC-IGQOVBAYSA-N 1 1 267.373 1.315 20 5 CDBDMO CCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054628 927672027 /nfs/dbraw/zinc/67/20/27/927672027.db2.gz NBEMLNIGHOHWOC-IGQOVBAYSA-N 1 1 267.373 1.315 20 5 CDBDMO CCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054628 927672034 /nfs/dbraw/zinc/67/20/34/927672034.db2.gz NBEMLNIGHOHWOC-IGQOVBAYSA-N 1 1 267.373 1.315 20 5 CDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055322 927672261 /nfs/dbraw/zinc/67/22/61/927672261.db2.gz PLIIIHOWGQFOJV-YNEHKIRRSA-N 1 1 298.387 1.167 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156648028 928877480 /nfs/dbraw/zinc/87/74/80/928877480.db2.gz OMIVYPDVXIQJGZ-LLVKDONJSA-N 1 1 259.269 1.294 20 5 CDBDMO CC(C)(C)CCC[NH+]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835766 929478815 /nfs/dbraw/zinc/47/88/15/929478815.db2.gz OFSOFJTXDHMNHO-CHWSQXEVSA-N 1 1 297.399 1.622 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC001116823125 937474247 /nfs/dbraw/zinc/47/42/47/937474247.db2.gz AHVWZEGNJGHTJC-CABCVRRESA-N 1 1 292.335 1.475 20 5 CDBDMO Cc1noc(C[C@@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)n1 ZINC001119852180 937760146 /nfs/dbraw/zinc/76/01/46/937760146.db2.gz SBNFEUUQQFOBDP-GFCCVEGCSA-N 1 1 276.296 1.528 20 5 CDBDMO Cc1ccc(N2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000687590050 934327001 /nfs/dbraw/zinc/32/70/01/934327001.db2.gz CRKKUBPVAGGOIV-LLVKDONJSA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ccc(N2CC[N@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000687590050 934327011 /nfs/dbraw/zinc/32/70/11/934327011.db2.gz CRKKUBPVAGGOIV-LLVKDONJSA-N 1 1 265.313 1.016 20 5 CDBDMO Nc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001120798698 937836926 /nfs/dbraw/zinc/83/69/26/937836926.db2.gz OVCDUPLPSCRWKQ-VIFPVBQESA-N 1 1 277.328 1.468 20 5 CDBDMO CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087551 937856594 /nfs/dbraw/zinc/85/65/94/937856594.db2.gz MYWKFJROGFVJMN-UBDGZGRMSA-N 1 1 295.383 1.469 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cccc([N+](=O)[O-])n1 ZINC001156974593 938441580 /nfs/dbraw/zinc/44/15/80/938441580.db2.gz PPBAXHOSFBBEPR-UHFFFAOYSA-N 1 1 259.269 1.888 20 5 CDBDMO O=C(NCCC[NH2+]CC1CC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767783 938543139 /nfs/dbraw/zinc/54/31/39/938543139.db2.gz UBBNYTUFNBMPFN-CHWSQXEVSA-N 1 1 295.383 1.328 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@@H]3C2)n1 ZINC001158432359 938624638 /nfs/dbraw/zinc/62/46/38/938624638.db2.gz JZPNTQLTWKTDJT-LLVKDONJSA-N 1 1 262.313 1.501 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159785749 938752848 /nfs/dbraw/zinc/75/28/48/938752848.db2.gz SKDCXGZSRGOYNT-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001160152858 938772002 /nfs/dbraw/zinc/77/20/02/938772002.db2.gz IQXYWMXEHIGXBV-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO Cc1cccc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001161706030 938923457 /nfs/dbraw/zinc/92/34/57/938923457.db2.gz QXNUYBCOYZYXQW-UHFFFAOYSA-N 1 1 292.383 1.953 20 5 CDBDMO COc1ccc(CO[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223513809 941683506 /nfs/dbraw/zinc/68/35/06/941683506.db2.gz IRYCMZJIFFNVIY-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO CC(C)(C)N1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225660488 941894971 /nfs/dbraw/zinc/89/49/71/941894971.db2.gz FXZNLQDRLPWJFW-UHFFFAOYSA-N 1 1 267.285 1.557 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225886859 941924311 /nfs/dbraw/zinc/92/43/11/941924311.db2.gz LJWUKLSXYXTXEE-MRVPVSSYSA-N 1 1 285.231 1.725 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])C1 ZINC001225886859 941924315 /nfs/dbraw/zinc/92/43/15/941924315.db2.gz LJWUKLSXYXTXEE-MRVPVSSYSA-N 1 1 285.231 1.725 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001225912626 941928530 /nfs/dbraw/zinc/92/85/30/941928530.db2.gz LSWUTRVKJFGHBZ-PCTYZZJISA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001225912626 941928532 /nfs/dbraw/zinc/92/85/32/941928532.db2.gz LSWUTRVKJFGHBZ-PCTYZZJISA-N 1 1 294.282 1.917 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226120804 941954232 /nfs/dbraw/zinc/95/42/32/941954232.db2.gz WUDRFBLFOGEMDQ-LLVKDONJSA-N 1 1 281.312 1.398 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226169134 941962434 /nfs/dbraw/zinc/96/24/34/941962434.db2.gz ZCQCQRYALWSYCE-LLVKDONJSA-N 1 1 293.323 1.555 20 5 CDBDMO COc1cc(OCC[N@@H+]2CC[C@@H](OC)C2)ncc1[N+](=O)[O-] ZINC001226579038 942030130 /nfs/dbraw/zinc/03/01/30/942030130.db2.gz MVNLRKCVZNSGMX-SNVBAGLBSA-N 1 1 297.311 1.098 20 5 CDBDMO CN1CC[NH+](C(C)(C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC001261860404 946308500 /nfs/dbraw/zinc/30/85/00/946308500.db2.gz WYMJXXZBSLUTKL-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001254551810 947519926 /nfs/dbraw/zinc/51/99/26/947519926.db2.gz GANABDGCEVRGNV-WDMOLILDSA-N 1 1 264.325 1.838 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001254550180 947521090 /nfs/dbraw/zinc/52/10/90/947521090.db2.gz DZRWVSFZKDYIJP-SCDSUCTJSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596059 947545995 /nfs/dbraw/zinc/54/59/95/947545995.db2.gz BHWWBUPVZYKINQ-IFUGULHKSA-N 1 1 276.336 1.765 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](O)CC1)C2 ZINC001254600847 947548888 /nfs/dbraw/zinc/54/88/88/947548888.db2.gz VVPHNJCQSJAYKT-LSDHHAIUSA-N 1 1 276.336 1.909 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605561 947552644 /nfs/dbraw/zinc/55/26/44/947552644.db2.gz BOTRWGFCVGKJCD-ZFWWWQNUSA-N 1 1 289.335 1.272 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1CN ZINC001246913712 948516283 /nfs/dbraw/zinc/51/62/83/948516283.db2.gz KPSGAXPIAQUHOM-BXUZGUMPSA-N 1 1 263.341 1.949 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CN ZINC001246913712 948516290 /nfs/dbraw/zinc/51/62/90/948516290.db2.gz KPSGAXPIAQUHOM-BXUZGUMPSA-N 1 1 263.341 1.949 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248124414 948944382 /nfs/dbraw/zinc/94/43/82/948944382.db2.gz GFTMBEWTIJKMLV-SSDOTTSWSA-N 1 1 293.258 1.598 20 5 CDBDMO O=C([O-])C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001330826592 957725807 /nfs/dbraw/zinc/72/58/07/957725807.db2.gz COGAHMIUSKFWED-UHFFFAOYSA-N 1 1 293.323 1.233 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001337466446 961213582 /nfs/dbraw/zinc/21/35/82/961213582.db2.gz YERALDBRZFSZHY-SNVBAGLBSA-N 1 1 295.314 1.948 20 5 CDBDMO C[C@@H](CC[NH+]1CCCC1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001345534425 964726812 /nfs/dbraw/zinc/72/68/12/964726812.db2.gz PUHXHQIHAABOQZ-HBNTYKKESA-N 1 1 256.302 1.069 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001515986012 969925809 /nfs/dbraw/zinc/92/58/09/969925809.db2.gz BJMJNDHPIRJHHU-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515986012 969925813 /nfs/dbraw/zinc/92/58/13/969925813.db2.gz BJMJNDHPIRJHHU-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001515986012 969925815 /nfs/dbraw/zinc/92/58/15/969925815.db2.gz BJMJNDHPIRJHHU-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000124379879 187135039 /nfs/dbraw/zinc/13/50/39/187135039.db2.gz HBLAPHNTARKRIQ-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)C3CC3)c2c1 ZINC000601114584 342471774 /nfs/dbraw/zinc/47/17/74/342471774.db2.gz STYOSOSOXZKNNQ-CQSZACIVSA-N 1 1 273.292 1.748 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199661 343979649 /nfs/dbraw/zinc/97/96/49/343979649.db2.gz OTVKULCWEHDEMJ-VIFPVBQESA-N 1 1 269.276 1.212 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693296 342583440 /nfs/dbraw/zinc/58/34/40/342583440.db2.gz QUSKTRYFHJSZSA-PWSUYJOCSA-N 1 1 264.329 1.766 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000609350689 342103706 /nfs/dbraw/zinc/10/37/06/342103706.db2.gz JNXMUPWBCMHBLQ-JTQLQIEISA-N 1 1 266.301 1.122 20 5 CDBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592830046 342741428 /nfs/dbraw/zinc/74/14/28/342741428.db2.gz AZZNVKFMTIIGOU-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733973 342830575 /nfs/dbraw/zinc/83/05/75/342830575.db2.gz PPURBMXHFYJSHS-WCQYABFASA-N 1 1 281.360 1.241 20 5 CDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000594652581 342933761 /nfs/dbraw/zinc/93/37/61/342933761.db2.gz SCAYFVJRDCMHSV-UHFFFAOYSA-N 1 1 287.323 1.830 20 5 CDBDMO C[C@@H](CN(C)C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594955360 342983042 /nfs/dbraw/zinc/98/30/42/342983042.db2.gz PNSAQXVMYDCNMF-JTQLQIEISA-N 1 1 295.339 1.406 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595338484 343029938 /nfs/dbraw/zinc/02/99/38/343029938.db2.gz IPROGPFHSUZAPX-GFCCVEGCSA-N 1 1 267.285 1.504 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595338484 343029939 /nfs/dbraw/zinc/02/99/39/343029939.db2.gz IPROGPFHSUZAPX-GFCCVEGCSA-N 1 1 267.285 1.504 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000595323092 343035930 /nfs/dbraw/zinc/03/59/30/343035930.db2.gz QJYHWTQFEZFSTR-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000595323092 343035932 /nfs/dbraw/zinc/03/59/32/343035932.db2.gz QJYHWTQFEZFSTR-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO Cc1noc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000595426731 343056937 /nfs/dbraw/zinc/05/69/37/343056937.db2.gz QGOVYEMGLOPSJA-OLZOCXBDSA-N 1 1 281.312 1.938 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000595457832 343068802 /nfs/dbraw/zinc/06/88/02/343068802.db2.gz FENKSLYISNHTRW-CBAPKCEASA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000595457832 343068803 /nfs/dbraw/zinc/06/88/03/343068803.db2.gz FENKSLYISNHTRW-CBAPKCEASA-N 1 1 255.274 1.094 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595766576 343145766 /nfs/dbraw/zinc/14/57/66/343145766.db2.gz PVVBVTGNEBTCET-NOZJJQNGSA-N 1 1 290.323 1.816 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595766576 343145768 /nfs/dbraw/zinc/14/57/68/343145768.db2.gz PVVBVTGNEBTCET-NOZJJQNGSA-N 1 1 290.323 1.816 20 5 CDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595730029 343141587 /nfs/dbraw/zinc/14/15/87/343141587.db2.gz ZIOCHRCQELCBLV-WCQYABFASA-N 1 1 289.335 1.695 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596269603 343281189 /nfs/dbraw/zinc/28/11/89/343281189.db2.gz UXOJZONZFBHDNB-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596272238 343294126 /nfs/dbraw/zinc/29/41/26/343294126.db2.gz VGRDZTRLBYFWBT-JTQLQIEISA-N 1 1 280.328 1.839 20 5 CDBDMO O=C1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453622178 252329362 /nfs/dbraw/zinc/32/93/62/252329362.db2.gz JHENWNDJSMVVIQ-QWRGUYRKSA-N 1 1 295.364 1.899 20 5 CDBDMO CNC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654659 343372374 /nfs/dbraw/zinc/37/23/74/343372374.db2.gz LHSUXDJNTNNSMF-QJPTWQEYSA-N 1 1 281.360 1.473 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567051 349805605 /nfs/dbraw/zinc/80/56/05/349805605.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567051 349805609 /nfs/dbraw/zinc/80/56/09/349805609.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567051 349805617 /nfs/dbraw/zinc/80/56/17/349805617.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000612108247 347023396 /nfs/dbraw/zinc/02/33/96/347023396.db2.gz VHAQYTPGSCOXRN-JHJVBQTASA-N 1 1 292.335 1.819 20 5 CDBDMO C[C@]1(CO)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599623349 344097609 /nfs/dbraw/zinc/09/76/09/344097609.db2.gz MEBNMZVBSWBGAA-GASCZTMLSA-N 1 1 294.351 1.408 20 5 CDBDMO C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979574 344306134 /nfs/dbraw/zinc/30/61/34/344306134.db2.gz JNCWMTWKABKDRL-SNVBAGLBSA-N 1 1 285.731 1.361 20 5 CDBDMO C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979574 344306136 /nfs/dbraw/zinc/30/61/36/344306136.db2.gz JNCWMTWKABKDRL-SNVBAGLBSA-N 1 1 285.731 1.361 20 5 CDBDMO COCCOCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519832 344452491 /nfs/dbraw/zinc/45/24/91/344452491.db2.gz BMTMLLWJSDVSGR-UHFFFAOYSA-N 1 1 295.295 1.489 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242868 362558925 /nfs/dbraw/zinc/55/89/25/362558925.db2.gz PCSZIJZHWKSUKW-GFCCVEGCSA-N 1 1 295.314 1.948 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072713004 345603210 /nfs/dbraw/zinc/60/32/10/345603210.db2.gz CQRHBULFKLUPLM-QWRGUYRKSA-N 1 1 295.339 1.625 20 5 CDBDMO CC[N@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000611084731 346604141 /nfs/dbraw/zinc/60/41/41/346604141.db2.gz OVSNZTSNINLNPO-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO CCc1ccc(OCc2noc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC000312173239 350755246 /nfs/dbraw/zinc/75/52/46/350755246.db2.gz JYNGLRILSWEYPT-UHFFFAOYSA-N 1 1 278.268 1.578 20 5 CDBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156880119 188286061 /nfs/dbraw/zinc/28/60/61/188286061.db2.gz MWCXRHVSQRARCU-WFASDCNBSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@H](O)C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000156880119 188286062 /nfs/dbraw/zinc/28/60/62/188286062.db2.gz MWCXRHVSQRARCU-WFASDCNBSA-N 1 1 294.351 1.609 20 5 CDBDMO CC[C@@H](CSC)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000358746187 356326107 /nfs/dbraw/zinc/32/61/07/356326107.db2.gz QLDUROILXGHVQX-VIFPVBQESA-N 1 1 272.374 1.902 20 5 CDBDMO CC[C@@H](CSC)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000358746187 356326109 /nfs/dbraw/zinc/32/61/09/356326109.db2.gz QLDUROILXGHVQX-VIFPVBQESA-N 1 1 272.374 1.902 20 5 CDBDMO CC[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000165428623 356861340 /nfs/dbraw/zinc/86/13/40/356861340.db2.gz NAMWBVCSGKVQCR-UHFFFAOYSA-N 1 1 283.284 1.707 20 5 CDBDMO CC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000165428623 356861343 /nfs/dbraw/zinc/86/13/43/356861343.db2.gz NAMWBVCSGKVQCR-UHFFFAOYSA-N 1 1 283.284 1.707 20 5 CDBDMO [NH3+]Cc1noc(CCC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000566213676 357438190 /nfs/dbraw/zinc/43/81/90/357438190.db2.gz BINLUHHJVVLIBM-UHFFFAOYSA-N 1 1 276.252 1.252 20 5 CDBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOCCO ZINC000282711431 357471124 /nfs/dbraw/zinc/47/11/24/357471124.db2.gz KSQOJOKDHDXBEK-FNORWQNLSA-N 1 1 294.351 1.939 20 5 CDBDMO CN1CC[N@H+](C)C[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000286631844 357592965 /nfs/dbraw/zinc/59/29/65/357592965.db2.gz CVFHWWFSVRGHKF-SNVBAGLBSA-N 1 1 282.319 1.392 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000286631844 357592968 /nfs/dbraw/zinc/59/29/68/357592968.db2.gz CVFHWWFSVRGHKF-SNVBAGLBSA-N 1 1 282.319 1.392 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360451 357656239 /nfs/dbraw/zinc/65/62/39/357656239.db2.gz STUFXKNPLIYOKX-SECBINFHSA-N 1 1 281.268 1.317 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360451 357656242 /nfs/dbraw/zinc/65/62/42/357656242.db2.gz STUFXKNPLIYOKX-SECBINFHSA-N 1 1 281.268 1.317 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776525 358516978 /nfs/dbraw/zinc/51/69/78/358516978.db2.gz OJXFBLLPGRFQMC-OCCSQVGLSA-N 1 1 289.335 1.300 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293864099 358421138 /nfs/dbraw/zinc/42/11/38/358421138.db2.gz BIUVHOBEEFMZBD-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293864099 358421141 /nfs/dbraw/zinc/42/11/41/358421141.db2.gz BIUVHOBEEFMZBD-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000093005619 358578027 /nfs/dbraw/zinc/57/80/27/358578027.db2.gz XLWWMXQKXUNVHQ-GQCTYLIASA-N 1 1 280.324 1.549 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290917281 358773871 /nfs/dbraw/zinc/77/38/71/358773871.db2.gz XCLLELXHJUBYST-SNVBAGLBSA-N 1 1 267.333 1.917 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000380739433 358889616 /nfs/dbraw/zinc/88/96/16/358889616.db2.gz LGTYRYMMAIAPFI-NSHDSACASA-N 1 1 281.360 1.873 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)O ZINC000267157778 358933440 /nfs/dbraw/zinc/93/34/40/358933440.db2.gz PHIQMSMJGQQTHU-SNVBAGLBSA-N 1 1 295.339 1.625 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119940970 359044783 /nfs/dbraw/zinc/04/47/83/359044783.db2.gz BVKRYGFMHWIHKC-LLVKDONJSA-N 1 1 295.364 1.631 20 5 CDBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342358575 359017774 /nfs/dbraw/zinc/01/77/74/359017774.db2.gz HNGBZTFHQMNZBL-GFCCVEGCSA-N 1 1 292.339 1.141 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000451728274 359073421 /nfs/dbraw/zinc/07/34/21/359073421.db2.gz FEYVZMPMNKXTDH-GFCCVEGCSA-N 1 1 281.360 1.207 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050053845 359565053 /nfs/dbraw/zinc/56/50/53/359565053.db2.gz RBFVPKPWVYHFLO-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297250966 200125601 /nfs/dbraw/zinc/12/56/01/200125601.db2.gz VIDXRCOFQBEOJV-LLVKDONJSA-N 1 1 279.344 1.471 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000297344655 200156383 /nfs/dbraw/zinc/15/63/83/200156383.db2.gz HLRBIDSSEJDCPK-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO Cc1nc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332695 200151545 /nfs/dbraw/zinc/15/15/45/200151545.db2.gz AHUZFPIITIZRAM-LDYMZIIASA-N 1 1 277.328 1.588 20 5 CDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000227549714 359829909 /nfs/dbraw/zinc/82/99/09/359829909.db2.gz CHBRYNRHVKMJHZ-UHFFFAOYSA-N 1 1 250.302 1.886 20 5 CDBDMO COCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054187739 359859375 /nfs/dbraw/zinc/85/93/75/359859375.db2.gz ZOGSXYVEJSLNDT-UHFFFAOYSA-N 1 1 279.340 1.359 20 5 CDBDMO C[C@H](NC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297786666 200280226 /nfs/dbraw/zinc/28/02/26/200280226.db2.gz XEZJKUCSJUBBDV-NSHDSACASA-N 1 1 292.339 1.613 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000075675158 359914760 /nfs/dbraw/zinc/91/47/60/359914760.db2.gz DXTWMCCHCBEUHV-CYBMUJFWSA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178009006 189085123 /nfs/dbraw/zinc/08/51/23/189085123.db2.gz PGCKFOMNZQLWTF-CYBMUJFWSA-N 1 1 266.297 1.430 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178341056 189108939 /nfs/dbraw/zinc/10/89/39/189108939.db2.gz ZSQCRVOOOSYPRY-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO C[C@H]1CSCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408360524 360708787 /nfs/dbraw/zinc/70/87/87/360708787.db2.gz VNKJMQSZOSHOGP-SECBINFHSA-N 1 1 270.358 1.513 20 5 CDBDMO C[C@H]1CSCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408360524 360708788 /nfs/dbraw/zinc/70/87/88/360708788.db2.gz VNKJMQSZOSHOGP-SECBINFHSA-N 1 1 270.358 1.513 20 5 CDBDMO COc1cc([N+](=O)[O-])c(-c2nc(C[NH3+])no2)cc1SC ZINC000581487999 363996950 /nfs/dbraw/zinc/99/69/50/363996950.db2.gz FGYIUTXLMLCFIF-UHFFFAOYSA-N 1 1 296.308 1.834 20 5 CDBDMO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000581168601 363967888 /nfs/dbraw/zinc/96/78/88/363967888.db2.gz CUVRCDUJLDIAIA-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@H+]1C1CC1 ZINC000268038928 364081474 /nfs/dbraw/zinc/08/14/74/364081474.db2.gz XLRAUOMKXQLNCF-RKDXNWHRSA-N 1 1 278.312 1.278 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000121428366 364786124 /nfs/dbraw/zinc/78/61/24/364786124.db2.gz IZVXUWUMEGGIGZ-LLVKDONJSA-N 1 1 277.324 1.666 20 5 CDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507534 366892032 /nfs/dbraw/zinc/89/20/32/366892032.db2.gz RDQTXXRJTFZRPD-QWRGUYRKSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270917015 366945075 /nfs/dbraw/zinc/94/50/75/366945075.db2.gz OPDNTQNYJCBAGI-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCOCC1 ZINC000366611478 367801022 /nfs/dbraw/zinc/80/10/22/367801022.db2.gz VQPXSBWPRNEQOG-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCOCC1 ZINC000366611478 367801028 /nfs/dbraw/zinc/80/10/28/367801028.db2.gz VQPXSBWPRNEQOG-UHFFFAOYSA-N 1 1 266.297 1.826 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330660765 203090698 /nfs/dbraw/zinc/09/06/98/203090698.db2.gz BOVPPMKDTDTBCW-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330660765 203090701 /nfs/dbraw/zinc/09/07/01/203090701.db2.gz BOVPPMKDTDTBCW-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330828118 203287438 /nfs/dbraw/zinc/28/74/38/203287438.db2.gz WSJKXMBKQOVBRA-SNVBAGLBSA-N 1 1 280.328 1.337 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420985342 244524270 /nfs/dbraw/zinc/52/42/70/244524270.db2.gz KQGAQAPLUULTNV-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1OCc1noc(C[NH3+])n1 ZINC000311260028 371030854 /nfs/dbraw/zinc/03/08/54/371030854.db2.gz AYBRVZFYWORRBG-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331743826 204112903 /nfs/dbraw/zinc/11/29/03/204112903.db2.gz BRCZHFXWGMPDTA-FZMZJTMJSA-N 1 1 296.371 1.964 20 5 CDBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331743826 204112906 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C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000356837310 374010180 /nfs/dbraw/zinc/01/01/80/374010180.db2.gz DBMOPRZKFQJYDL-RKDXNWHRSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000356837310 374010186 /nfs/dbraw/zinc/01/01/86/374010186.db2.gz DBMOPRZKFQJYDL-RKDXNWHRSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(N)=O)CC1 ZINC000266558695 373978589 /nfs/dbraw/zinc/97/85/89/373978589.db2.gz WYPMDWSUHQKJJY-LLVKDONJSA-N 1 1 292.339 1.742 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(N)=O)CC1 ZINC000266558695 373978596 /nfs/dbraw/zinc/97/85/96/373978596.db2.gz WYPMDWSUHQKJJY-LLVKDONJSA-N 1 1 292.339 1.742 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000081606735 374530359 /nfs/dbraw/zinc/53/03/59/374530359.db2.gz LACWGAFDDREXNC-GFCCVEGCSA-N 1 1 295.339 1.593 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570787 374599350 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ZINC000611275979 346733576 /nfs/dbraw/zinc/73/35/76/346733576.db2.gz CZRMRDQQLKBNIP-CQSZACIVSA-N 1 1 294.307 1.323 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299257 346741491 /nfs/dbraw/zinc/74/14/91/346741491.db2.gz ZFSAFCAQQWIGLO-DTWKUNHWSA-N 1 1 295.368 1.833 20 5 CDBDMO CC1(C)CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614923380 348275692 /nfs/dbraw/zinc/27/56/92/348275692.db2.gz ICYCPJJNGYCJAY-UHFFFAOYSA-N 1 1 299.396 1.545 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1CO ZINC000615455832 348514237 /nfs/dbraw/zinc/51/42/37/348514237.db2.gz IRVWJSPFABWVAH-SKDRFNHKSA-N 1 1 291.307 1.939 20 5 CDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CC3(O)CCCC3)C2)cc1 ZINC000615787689 348722057 /nfs/dbraw/zinc/72/20/57/348722057.db2.gz QZZKOAZZKZOJQC-UHFFFAOYSA-N 1 1 292.335 1.963 20 5 CDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000067703491 349033788 /nfs/dbraw/zinc/03/37/88/349033788.db2.gz AYBPEKGUYMLVBJ-LBPRGKRZSA-N 1 1 289.335 1.490 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000074313417 349211078 /nfs/dbraw/zinc/21/10/78/349211078.db2.gz WWXBNGOHZQIDFL-LBPRGKRZSA-N 1 1 293.323 1.298 20 5 CDBDMO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267853423 362950353 /nfs/dbraw/zinc/95/03/53/362950353.db2.gz WYXCXWOPQXUXES-MFKMUULPSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000267853423 362950358 /nfs/dbraw/zinc/95/03/58/362950358.db2.gz WYXCXWOPQXUXES-MFKMUULPSA-N 1 1 293.323 1.643 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110652832 186310516 /nfs/dbraw/zinc/31/05/16/186310516.db2.gz ORGDCFJIDFKHEZ-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000454355780 252344238 /nfs/dbraw/zinc/34/42/38/252344238.db2.gz MHNDOZMKTWPTCV-SNVBAGLBSA-N 1 1 280.328 1.478 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000152241374 188004043 /nfs/dbraw/zinc/00/40/43/188004043.db2.gz FOCCKUKZSRGLIF-JTQLQIEISA-N 1 1 282.296 1.049 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155045495 188178158 /nfs/dbraw/zinc/17/81/58/188178158.db2.gz XFAZVCSRGZDVCH-LBPRGKRZSA-N 1 1 277.324 1.601 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)[NH+]1C ZINC000358711888 356324895 /nfs/dbraw/zinc/32/48/95/356324895.db2.gz DJDDMWPDEILAJN-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO CCC[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347095 357179777 /nfs/dbraw/zinc/17/97/77/357179777.db2.gz DHLDZSPMTXFTSE-UHFFFAOYSA-N 1 1 252.314 1.842 20 5 CDBDMO CNc1c(C(=O)NC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000341392464 357249982 /nfs/dbraw/zinc/24/99/82/357249982.db2.gz VVTZJLLSDCPARP-UHFFFAOYSA-N 1 1 292.339 1.459 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590344389 357260413 /nfs/dbraw/zinc/26/04/13/357260413.db2.gz ILFYJXQJZWABCD-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383908 357340879 /nfs/dbraw/zinc/34/08/79/357340879.db2.gz LOHWALSBRKXTRD-UGFHNGPFSA-N 1 1 294.351 1.864 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264607803 357443220 /nfs/dbraw/zinc/44/32/20/357443220.db2.gz DLNYBSHCEJVBBO-UHFFFAOYSA-N 1 1 250.302 1.522 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072713836 357849449 /nfs/dbraw/zinc/84/94/49/357849449.db2.gz IBCRMLBLRHPHDN-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H](NCC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384168 199019591 /nfs/dbraw/zinc/01/95/91/199019591.db2.gz RNSJNFFGLVQIRM-SECBINFHSA-N 1 1 252.318 1.389 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000408141936 358175798 /nfs/dbraw/zinc/17/57/98/358175798.db2.gz NXXGSUVQXDOHPL-UHFFFAOYSA-N 1 1 279.344 1.393 20 5 CDBDMO C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033316003 358228525 /nfs/dbraw/zinc/22/85/25/358228525.db2.gz YTGIZLGBCMZERO-DAXSKMNVSA-N 1 1 275.308 1.382 20 5 CDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202210 358384303 /nfs/dbraw/zinc/38/43/03/358384303.db2.gz IEIPAIGWCKCUCG-SNVBAGLBSA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202210 358384305 /nfs/dbraw/zinc/38/43/05/358384305.db2.gz IEIPAIGWCKCUCG-SNVBAGLBSA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202210 358384306 /nfs/dbraw/zinc/38/43/06/358384306.db2.gz IEIPAIGWCKCUCG-SNVBAGLBSA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202210 358384308 /nfs/dbraw/zinc/38/43/08/358384308.db2.gz IEIPAIGWCKCUCG-SNVBAGLBSA-N 1 1 295.343 1.039 20 5 CDBDMO CN(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439753 358876574 /nfs/dbraw/zinc/87/65/74/358876574.db2.gz NMSYZNBPLPDGFE-UHFFFAOYSA-N 1 1 271.704 1.426 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162823 359050551 /nfs/dbraw/zinc/05/05/51/359050551.db2.gz XLIPCNMVONFRTM-YPMHNXCESA-N 1 1 281.356 1.476 20 5 CDBDMO Cc1cc(NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000338341610 359120551 /nfs/dbraw/zinc/12/05/51/359120551.db2.gz HETAYEQCGUECSZ-UHFFFAOYSA-N 1 1 292.383 1.953 20 5 CDBDMO Cc1c[nH]nc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000289638473 359657280 /nfs/dbraw/zinc/65/72/80/359657280.db2.gz XLAMLZBINJZTHW-UHFFFAOYSA-N 1 1 260.297 1.959 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297309006 200143990 /nfs/dbraw/zinc/14/39/90/200143990.db2.gz IEMWLDVLRRHXPF-JTQLQIEISA-N 1 1 288.307 1.977 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000135644210 359822517 /nfs/dbraw/zinc/82/25/17/359822517.db2.gz NAGSLFAFJOKQBJ-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000135644210 359822521 /nfs/dbraw/zinc/82/25/21/359822521.db2.gz NAGSLFAFJOKQBJ-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000572164315 359949383 /nfs/dbraw/zinc/94/93/83/359949383.db2.gz ZTODOXKWBVINPA-NHYWBVRUSA-N 1 1 291.351 1.899 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000572164315 359949387 /nfs/dbraw/zinc/94/93/87/359949387.db2.gz ZTODOXKWBVINPA-NHYWBVRUSA-N 1 1 291.351 1.899 20 5 CDBDMO C[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298074486 200327812 /nfs/dbraw/zinc/32/78/12/200327812.db2.gz FWHNLLOSIOQVNM-UHFFFAOYSA-N 1 1 288.307 1.464 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178020205 189086157 /nfs/dbraw/zinc/08/61/57/189086157.db2.gz XZOXXOWUVFQLQL-CYBMUJFWSA-N 1 1 266.297 1.430 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000168400689 361185513 /nfs/dbraw/zinc/18/55/13/361185513.db2.gz LSBOADPEWUXZLL-WDEREUQCSA-N 1 1 280.324 1.806 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CNC1 ZINC000582295215 364082964 /nfs/dbraw/zinc/08/29/64/364082964.db2.gz GQBVBRAIBZYDBN-RISCZKNCSA-N 1 1 275.352 1.867 20 5 CDBDMO Cc1nn(C)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000148887228 364446982 /nfs/dbraw/zinc/44/69/82/364446982.db2.gz ICKTYUVYMBUGOT-UHFFFAOYSA-N 1 1 260.297 1.927 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000345889769 364753281 /nfs/dbraw/zinc/75/32/81/364753281.db2.gz XTUKMFIMDQLRJM-NXEZZACHSA-N 1 1 280.328 1.478 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000340936957 364867283 /nfs/dbraw/zinc/86/72/83/364867283.db2.gz UMZSJUCIVSUOCR-KOLCDFICSA-N 1 1 266.297 1.559 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249580466 364922346 /nfs/dbraw/zinc/92/23/46/364922346.db2.gz QUWBARQIJYXUEM-BXUZGUMPSA-N 1 1 291.351 1.723 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000440963235 367264133 /nfs/dbraw/zinc/26/41/33/367264133.db2.gz VORDIMVFCCSHKF-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000440963235 367264138 /nfs/dbraw/zinc/26/41/38/367264138.db2.gz VORDIMVFCCSHKF-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000272201755 367312108 /nfs/dbraw/zinc/31/21/08/367312108.db2.gz GOAUOHDCVATSDI-RKDXNWHRSA-N 1 1 295.343 1.080 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634750 367785847 /nfs/dbraw/zinc/78/58/47/367785847.db2.gz WTSZOZJRJNGILX-VXGBXAGGSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420406031 244207515 /nfs/dbraw/zinc/20/75/15/244207515.db2.gz NIFWZHKCFSBNML-CHWSQXEVSA-N 1 1 293.367 1.890 20 5 CDBDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129883515 370053417 /nfs/dbraw/zinc/05/34/17/370053417.db2.gz VRDSDJTWLFHSSF-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129883515 370053424 /nfs/dbraw/zinc/05/34/24/370053424.db2.gz VRDSDJTWLFHSSF-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO C[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000299287019 370272323 /nfs/dbraw/zinc/27/23/23/370272323.db2.gz XOGVQZNYACPHHR-UHFFFAOYSA-N 1 1 278.312 1.811 20 5 CDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000332009044 204385222 /nfs/dbraw/zinc/38/52/22/204385222.db2.gz REMGHCYJIAFOQM-NXEZZACHSA-N 1 1 293.327 1.017 20 5 CDBDMO C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193575121 372047264 /nfs/dbraw/zinc/04/72/64/372047264.db2.gz ISKOBBOEZIZQBF-UHFFFAOYSA-N 1 1 280.284 1.250 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000225344734 374242800 /nfs/dbraw/zinc/24/28/00/374242800.db2.gz PPSLBEMMTBBEBV-NSHDSACASA-N 1 1 264.329 1.253 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488483 374441368 /nfs/dbraw/zinc/44/13/68/374441368.db2.gz XAPFCLJBNQVCEV-GFCCVEGCSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425488483 374441372 /nfs/dbraw/zinc/44/13/72/374441372.db2.gz XAPFCLJBNQVCEV-GFCCVEGCSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425488483 374441378 /nfs/dbraw/zinc/44/13/78/374441378.db2.gz XAPFCLJBNQVCEV-GFCCVEGCSA-N 1 1 281.360 1.063 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000372747477 374450529 /nfs/dbraw/zinc/45/05/29/374450529.db2.gz MBEBWHGKZJCXGV-MWLCHTKSSA-N 1 1 298.368 1.035 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000372747477 374450538 /nfs/dbraw/zinc/45/05/38/374450538.db2.gz MBEBWHGKZJCXGV-MWLCHTKSSA-N 1 1 298.368 1.035 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277482656 374789980 /nfs/dbraw/zinc/78/99/80/374789980.db2.gz WSLWJLPXXTVVHC-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)cc1F ZINC000094774134 374844949 /nfs/dbraw/zinc/84/49/49/374844949.db2.gz TVEUOZFWQAUBRO-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)nc1 ZINC000331422511 374950226 /nfs/dbraw/zinc/95/02/26/374950226.db2.gz LCGKAYOYEWLTFN-VXGBXAGGSA-N 1 1 292.339 1.513 20 5 CDBDMO CC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293860151 375190997 /nfs/dbraw/zinc/19/09/97/375190997.db2.gz DEDILJYQIVJLJY-JTQLQIEISA-N 1 1 283.284 1.706 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293860151 375191007 /nfs/dbraw/zinc/19/10/07/375191007.db2.gz DEDILJYQIVJLJY-JTQLQIEISA-N 1 1 283.284 1.706 20 5 CDBDMO Cc1cc(C(=O)NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000162568141 375211275 /nfs/dbraw/zinc/21/12/75/375211275.db2.gz CSZZZBAXNUSNTL-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCCCO ZINC000227119883 375446834 /nfs/dbraw/zinc/44/68/34/375446834.db2.gz PRYXEOLVYQUQLY-UHFFFAOYSA-N 1 1 270.333 1.194 20 5 CDBDMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000357403924 375905218 /nfs/dbraw/zinc/90/52/18/375905218.db2.gz WBGIZLQNOMDCMX-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000358309623 375960152 /nfs/dbraw/zinc/96/01/52/375960152.db2.gz PYBFIBSEZCKCKJ-NSHDSACASA-N 1 1 297.359 1.028 20 5 CDBDMO COc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccn1 ZINC000347635045 376623493 /nfs/dbraw/zinc/62/34/93/376623493.db2.gz GZZNPCCMIZUFLO-SECBINFHSA-N 1 1 291.311 1.583 20 5 CDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000074107044 376867169 /nfs/dbraw/zinc/86/71/69/376867169.db2.gz WYEBYLGTQLYPSV-JTQLQIEISA-N 1 1 297.311 1.028 20 5 CDBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000173306796 378123231 /nfs/dbraw/zinc/12/32/31/378123231.db2.gz SAOXFUBZTSJZEE-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000294712703 291709308 /nfs/dbraw/zinc/70/93/08/291709308.db2.gz BPMFKWQGBXOHJF-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CC2)c(F)c1 ZINC000267001149 379020209 /nfs/dbraw/zinc/02/02/09/379020209.db2.gz CUUNVQQMLHDFHW-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CC2)c(F)c1 ZINC000267001149 379020215 /nfs/dbraw/zinc/02/02/15/379020215.db2.gz CUUNVQQMLHDFHW-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000267010989 379152650 /nfs/dbraw/zinc/15/26/50/379152650.db2.gz MKJRVSNUUCPZBY-NSHDSACASA-N 1 1 283.303 1.724 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCNC1=O ZINC000288563487 197113206 /nfs/dbraw/zinc/11/32/06/197113206.db2.gz AEVVMXGMQOTHPA-UHFFFAOYSA-N 1 1 292.339 1.094 20 5 CDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC000450327500 251225441 /nfs/dbraw/zinc/22/54/41/251225441.db2.gz 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CC(C)[C@H](N)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272229 392960307 /nfs/dbraw/zinc/96/03/07/392960307.db2.gz JRILOSJISQLJAI-FRRDWIJNSA-N 1 1 295.387 1.848 20 5 CDBDMO Cc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188309 393014210 /nfs/dbraw/zinc/01/42/10/393014210.db2.gz LQHAAXULGDHQDB-AAEUAGOBSA-N 1 1 276.340 1.829 20 5 CDBDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577974 393083155 /nfs/dbraw/zinc/08/31/55/393083155.db2.gz HJMDYDOMTQQDIO-VHSXEESVSA-N 1 1 252.318 1.949 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000430206823 393092753 /nfs/dbraw/zinc/09/27/53/393092753.db2.gz PNYUQRSIYJSNSP-SKDRFNHKSA-N 1 1 266.297 1.416 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000430246368 393094949 /nfs/dbraw/zinc/09/49/49/393094949.db2.gz ROMBWOPGDGXTRU-AWEZNQCLSA-N 1 1 293.323 1.301 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493844776 393223105 /nfs/dbraw/zinc/22/31/05/393223105.db2.gz CIVZZECILSQDJQ-SREVYHEPSA-N 1 1 289.335 1.817 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431939 135106992 /nfs/dbraw/zinc/10/69/92/135106992.db2.gz VLHNSDWKNXXYJO-CHWSQXEVSA-N 1 1 293.367 1.795 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000217315949 140163609 /nfs/dbraw/zinc/16/36/09/140163609.db2.gz MBHXJDDVFTYFBJ-LLVKDONJSA-N 1 1 293.323 1.467 20 5 CDBDMO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000252667940 140321583 /nfs/dbraw/zinc/32/15/83/140321583.db2.gz QEZJHSUECBHFMO-NWDGAFQWSA-N 1 1 297.380 1.609 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343455654 152186154 /nfs/dbraw/zinc/18/61/54/152186154.db2.gz USHUZRDKAWLDSJ-MFKMUULPSA-N 1 1 292.339 1.511 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169318 153081316 /nfs/dbraw/zinc/08/13/16/153081316.db2.gz QDLYOABGADIPCL-RYUDHWBXSA-N 1 1 281.360 1.206 20 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/nfs/dbraw/zinc/17/97/32/159179732.db2.gz HIQHUSSJSAISGZ-NSHDSACASA-N 1 1 281.360 1.718 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371844826 160056971 /nfs/dbraw/zinc/05/69/71/160056971.db2.gz VOAFFRCRTPZDTR-GFCCVEGCSA-N 1 1 250.302 1.666 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280805069 287152594 /nfs/dbraw/zinc/15/25/94/287152594.db2.gz SMGMEHRUQAKZJX-IINYFYTJSA-N 1 1 277.324 1.853 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000044725807 175238057 /nfs/dbraw/zinc/23/80/57/175238057.db2.gz ZWOLGXZPLMNLFG-SECBINFHSA-N 1 1 265.317 1.285 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CC[NH2+]CC1 ZINC000071148957 176044539 /nfs/dbraw/zinc/04/45/39/176044539.db2.gz HNWGQCRVDMKALK-ZDUSSCGKSA-N 1 1 292.383 1.493 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649662 277040197 /nfs/dbraw/zinc/04/01/97/277040197.db2.gz UYNASZNUOSHOKP-LBPRGKRZSA-N 1 1 294.355 1.773 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576124 277178291 /nfs/dbraw/zinc/17/82/91/277178291.db2.gz RZNYANPUSVHZQW-CABZTGNLSA-N 1 1 294.330 1.847 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836675 278091482 /nfs/dbraw/zinc/09/14/82/278091482.db2.gz BRCZZXMONBPOQI-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836675 278091484 /nfs/dbraw/zinc/09/14/84/278091484.db2.gz BRCZZXMONBPOQI-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000049238007 279171467 /nfs/dbraw/zinc/17/14/67/279171467.db2.gz IBJATDUFZDBWIM-UHFFFAOYSA-N 1 1 263.297 1.536 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000091557151 279286772 /nfs/dbraw/zinc/28/67/72/279286772.db2.gz FNIGVJUSPZTHHG-LLVKDONJSA-N 1 1 281.360 1.873 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000423496019 279382158 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CC(C)[C@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067824 519830372 /nfs/dbraw/zinc/83/03/72/519830372.db2.gz BGJRMAJAVXZEFS-CYBMUJFWSA-N 1 1 282.344 1.132 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835958 /nfs/dbraw/zinc/83/59/58/523835958.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 1 1 293.371 1.209 20 5 CDBDMO CO[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673682 523972820 /nfs/dbraw/zinc/97/28/20/523972820.db2.gz LMGGXQVSCVIHLT-ZDUSSCGKSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000337021197 525668705 /nfs/dbraw/zinc/66/87/05/525668705.db2.gz RJLYPBIEIQUAAS-SFYZADRCSA-N 1 1 256.331 1.946 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000337581512 526304804 /nfs/dbraw/zinc/30/48/04/526304804.db2.gz JDVRAVNKIVLUSC-UHFFFAOYSA-N 1 1 283.715 1.684 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000754080362 576878266 /nfs/dbraw/zinc/87/82/66/576878266.db2.gz UIRQGWITQNQCMH-VIFPVBQESA-N 1 1 291.311 1.661 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000891567640 617482181 /nfs/dbraw/zinc/48/21/81/617482181.db2.gz KKOAQXPRARYSHD-SNVBAGLBSA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000891567640 617482183 /nfs/dbraw/zinc/48/21/83/617482183.db2.gz KKOAQXPRARYSHD-SNVBAGLBSA-N 1 1 282.296 1.266 20 5 CDBDMO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278451 614796727 /nfs/dbraw/zinc/79/67/27/614796727.db2.gz DGNBRKIEGCBPLP-GBOPCIDUSA-N 1 1 295.383 1.232 20 5 CDBDMO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278451 614796728 /nfs/dbraw/zinc/79/67/28/614796728.db2.gz DGNBRKIEGCBPLP-GBOPCIDUSA-N 1 1 295.383 1.232 20 5 CDBDMO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278451 614796729 /nfs/dbraw/zinc/79/67/29/614796729.db2.gz DGNBRKIEGCBPLP-GBOPCIDUSA-N 1 1 295.383 1.232 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000892992829 618032620 /nfs/dbraw/zinc/03/26/20/618032620.db2.gz AJTFKNCWGIAWMN-LBPRGKRZSA-N 1 1 287.323 1.927 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000892992829 618032626 /nfs/dbraw/zinc/03/26/26/618032626.db2.gz AJTFKNCWGIAWMN-LBPRGKRZSA-N 1 1 287.323 1.927 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581128 617678005 /nfs/dbraw/zinc/67/80/05/617678005.db2.gz DYQMFUYMZAKVGN-ZWNOBZJWSA-N 1 1 250.298 1.970 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933863195 617702655 /nfs/dbraw/zinc/70/26/55/617702655.db2.gz CLSPGIFHZSYMEU-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000894250708 618756638 /nfs/dbraw/zinc/75/66/38/618756638.db2.gz AXYGHOBCIBXMDP-SNVBAGLBSA-N 1 1 280.328 1.529 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000928568740 619409074 /nfs/dbraw/zinc/40/90/74/619409074.db2.gz WFYMIVKRDWBBDL-LLVKDONJSA-N 1 1 292.339 1.217 20 5 CDBDMO C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895245505 619486379 /nfs/dbraw/zinc/48/63/79/619486379.db2.gz BAMVJGXOQCLNEY-ZYHUDNBSSA-N 1 1 279.344 1.036 20 5 CDBDMO CC(C)Oc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895769567 619835355 /nfs/dbraw/zinc/83/53/55/619835355.db2.gz UFOVIGCIQKDFDL-JTQLQIEISA-N 1 1 280.328 1.893 20 5 CDBDMO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406563 624731838 /nfs/dbraw/zinc/73/18/38/624731838.db2.gz NYXLZUGNLVNGSL-WDEREUQCSA-N 1 1 279.344 1.356 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000905131442 626645633 /nfs/dbraw/zinc/64/56/33/626645633.db2.gz ACFGONTVVWHZOZ-UHFFFAOYSA-N 1 1 250.298 1.842 20 5 CDBDMO Cc1ccccc1[C@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])N(C)C ZINC000905231397 626685672 /nfs/dbraw/zinc/68/56/72/626685672.db2.gz SSBDMGWTXXAWFN-OCCSQVGLSA-N 1 1 265.357 1.853 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000905248501 626704069 /nfs/dbraw/zinc/70/40/69/626704069.db2.gz VCAFMIWVFCVTCQ-UHFFFAOYSA-N 1 1 279.218 1.389 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000914325443 631343764 /nfs/dbraw/zinc/34/37/64/631343764.db2.gz KEHVQNYOFAPUAR-CYBMUJFWSA-N 1 1 292.339 1.141 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000791054038 1162187818 /nfs/dbraw/zinc/18/78/18/1162187818.db2.gz WOOSGMXUHOEICD-CQSZACIVSA-N 1 1 263.341 1.864 20 5 CDBDMO C[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864381622 1164533344 /nfs/dbraw/zinc/53/33/44/1164533344.db2.gz FGCKXBDIQORAFS-UHFFFAOYSA-N 1 1 281.287 1.050 20 5 CDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870860054 1165223214 /nfs/dbraw/zinc/22/32/14/1165223214.db2.gz NPFKPPYVUGZYDH-YGRLFVJLSA-N 1 1 293.323 1.016 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764731 1166095453 /nfs/dbraw/zinc/09/54/53/1166095453.db2.gz NJKRPXSNADXYOE-DRYSKOCLSA-N 1 1 292.335 1.141 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001164669135 719371318 /nfs/dbraw/zinc/37/13/18/719371318.db2.gz QCJWQTNJIMEYQX-NXEZZACHSA-N 1 1 298.730 1.162 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)CC2CC2)cc1 ZINC000776578586 1164451797 /nfs/dbraw/zinc/45/17/97/1164451797.db2.gz GRNIERFCAUMJFB-CQSZACIVSA-N 1 1 280.324 1.333 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@](C)(O)C1 ZINC001173221423 912304189 /nfs/dbraw/zinc/30/41/89/912304189.db2.gz IHOZSAHFMDOSII-DOMZBBRYSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](F)(CO)C1 ZINC001173230707 912327749 /nfs/dbraw/zinc/32/77/49/912327749.db2.gz ZSKFNPKNYSWBTH-FZMZJTMJSA-N 1 1 282.315 1.932 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293976535 899141894 /nfs/dbraw/zinc/14/18/94/899141894.db2.gz VEXGOVCQXRSOOQ-NSHDSACASA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000695903000 900071320 /nfs/dbraw/zinc/07/13/20/900071320.db2.gz DWIQOAHNSXZADL-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000695903000 900071326 /nfs/dbraw/zinc/07/13/26/900071326.db2.gz DWIQOAHNSXZADL-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000695903000 900071335 /nfs/dbraw/zinc/07/13/35/900071335.db2.gz DWIQOAHNSXZADL-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC001167781675 900526056 /nfs/dbraw/zinc/52/60/56/900526056.db2.gz LVESZRKQAZBDBS-UHFFFAOYSA-N 1 1 294.702 1.936 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000698120402 911196365 /nfs/dbraw/zinc/19/63/65/911196365.db2.gz VTFGEIKYBBLJPQ-GXFFZTMASA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000698120402 911196384 /nfs/dbraw/zinc/19/63/84/911196384.db2.gz VTFGEIKYBBLJPQ-GXFFZTMASA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@H](C[NH+](C)C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000168890781 911766526 /nfs/dbraw/zinc/76/65/26/911766526.db2.gz REDRSMCTCIXXFB-GXFFZTMASA-N 1 1 267.329 1.168 20 5 CDBDMO CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450210 915417487 /nfs/dbraw/zinc/41/74/87/915417487.db2.gz XVXLJXNIDGGRSV-CHWSQXEVSA-N 1 1 285.388 1.574 20 5 CDBDMO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000828420542 936375030 /nfs/dbraw/zinc/37/50/30/936375030.db2.gz DOOVPRFYMULQNX-NSHDSACASA-N 1 1 297.330 1.993 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC001168750468 922102485 /nfs/dbraw/zinc/10/24/85/922102485.db2.gz OTJOUNSWBPHRMV-UHFFFAOYSA-N 1 1 297.278 1.091 20 5 CDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839675997 936919439 /nfs/dbraw/zinc/91/94/39/936919439.db2.gz UZLVVKCNPZAEKE-KYOSRNDESA-N 1 1 294.351 1.721 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000842614012 937064522 /nfs/dbraw/zinc/06/45/22/937064522.db2.gz FXFHKNHCKIFWGZ-VXGBXAGGSA-N 1 1 280.328 1.640 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168968082 927592427 /nfs/dbraw/zinc/59/24/27/927592427.db2.gz VHXNOMXMIITGRZ-VWYCJHECSA-N 1 1 258.318 1.219 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC3(COC3)C2)C1 ZINC001169012549 927619021 /nfs/dbraw/zinc/61/90/21/927619021.db2.gz RAQPCCLJYVVTMD-NEPJUHHUSA-N 1 1 254.330 1.544 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(N3CCCC3)C2)C1 ZINC001169037091 927646516 /nfs/dbraw/zinc/64/65/16/927646516.db2.gz QVHVEKUUDCYNII-NEPJUHHUSA-N 1 1 253.346 1.212 20 5 CDBDMO CC(C)(C)[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036740 927646557 /nfs/dbraw/zinc/64/65/57/927646557.db2.gz PWJYWBVVRGCTPR-OLZOCXBDSA-N 1 1 269.389 1.848 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccncc3)C2)C1 ZINC001169039479 927649488 /nfs/dbraw/zinc/64/94/88/927649488.db2.gz QAVVYOKIMYSNSI-BPLDGKMQSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccncc3)C2)C1 ZINC001169039479 927649496 /nfs/dbraw/zinc/64/94/96/927649496.db2.gz QAVVYOKIMYSNSI-BPLDGKMQSA-N 1 1 291.351 1.900 20 5 CDBDMO CO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050643 927669098 /nfs/dbraw/zinc/66/90/98/927669098.db2.gz CCWINVLXRIEISI-MROQNXINSA-N 1 1 256.346 1.931 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852559383 927816428 /nfs/dbraw/zinc/81/64/28/927816428.db2.gz PVJARJOYZYCOGE-HONMWMINSA-N 1 1 280.324 1.473 20 5 CDBDMO COC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000852770264 927867722 /nfs/dbraw/zinc/86/77/22/927867722.db2.gz ITTADVSUBCFPKF-UHFFFAOYSA-N 1 1 293.323 1.915 20 5 CDBDMO Cc1cccc(C(=O)OCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000861384795 929286353 /nfs/dbraw/zinc/28/63/53/929286353.db2.gz YNLOHYGYWHJFDC-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880296747 929646498 /nfs/dbraw/zinc/64/64/98/929646498.db2.gz FYXKSMBIGBXXRW-GWCFXTLKSA-N 1 1 268.288 1.920 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)[N@@H+](C)C1CC1 ZINC000217803943 930180619 /nfs/dbraw/zinc/18/06/19/930180619.db2.gz MWUAUAVLFIEPJZ-VIFPVBQESA-N 1 1 295.314 1.946 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1CO ZINC000886295720 930852562 /nfs/dbraw/zinc/85/25/62/930852562.db2.gz IMJKWHOYMUPTOR-PWSUYJOCSA-N 1 1 265.313 1.440 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12C[NH2+]C2 ZINC001246442344 931493195 /nfs/dbraw/zinc/49/31/95/931493195.db2.gz CWHRMKSBZLINJO-GXFFZTMASA-N 1 1 261.325 1.477 20 5 CDBDMO Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845722959 931888452 /nfs/dbraw/zinc/88/84/52/931888452.db2.gz UUCYCFFHFJXVBB-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO Cc1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845722959 931888454 /nfs/dbraw/zinc/88/84/54/931888454.db2.gz UUCYCFFHFJXVBB-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCCc2[nH+]ccn2C)n1 ZINC000128909634 932744122 /nfs/dbraw/zinc/74/41/22/932744122.db2.gz WXZMCHXWNMQURK-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000929530298 933244159 /nfs/dbraw/zinc/24/41/59/933244159.db2.gz NTVZATKAGQCTFK-CYBMUJFWSA-N 1 1 250.298 1.727 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000929530298 933244162 /nfs/dbraw/zinc/24/41/62/933244162.db2.gz NTVZATKAGQCTFK-CYBMUJFWSA-N 1 1 250.298 1.727 20 5 CDBDMO COC(=O)CCC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929852795 933281916 /nfs/dbraw/zinc/28/19/16/933281916.db2.gz JUZOGQZNIYQROV-UHFFFAOYSA-N 1 1 280.324 1.719 20 5 CDBDMO COC(=O)CCC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929852795 933281920 /nfs/dbraw/zinc/28/19/20/933281920.db2.gz JUZOGQZNIYQROV-UHFFFAOYSA-N 1 1 280.324 1.719 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000930745793 933443833 /nfs/dbraw/zinc/44/38/33/933443833.db2.gz KKCODOCXYIXLKW-HDJSIYSDSA-N 1 1 294.351 1.774 20 5 CDBDMO Cc1noc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000931441454 933563876 /nfs/dbraw/zinc/56/38/76/933563876.db2.gz IXIBFTXCHUBWBH-MNOVXSKESA-N 1 1 280.328 1.275 20 5 CDBDMO COC[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865420 934754468 /nfs/dbraw/zinc/75/44/68/934754468.db2.gz NPWSUJTXUXENFI-SNVBAGLBSA-N 1 1 254.290 1.026 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779865420 934754474 /nfs/dbraw/zinc/75/44/74/934754474.db2.gz NPWSUJTXUXENFI-SNVBAGLBSA-N 1 1 254.290 1.026 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000795744907 934930620 /nfs/dbraw/zinc/93/06/20/934930620.db2.gz AGCUWBLNUMLSQM-SECBINFHSA-N 1 1 293.327 1.572 20 5 CDBDMO COc1cc(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC001157043744 938448636 /nfs/dbraw/zinc/44/86/36/938448636.db2.gz XENQEKKMRJCSPJ-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001157767820 938542860 /nfs/dbraw/zinc/54/28/60/938542860.db2.gz WAEGHKBDMHAKQC-VXGBXAGGSA-N 1 1 297.380 1.318 20 5 CDBDMO Cc1nc(Cl)nc(N2CC[N@@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158425503 938623130 /nfs/dbraw/zinc/62/31/30/938623130.db2.gz PZORMVFZSOTPAA-MRVPVSSYSA-N 1 1 283.719 1.241 20 5 CDBDMO Cc1nc(Cl)nc(N2CC[N@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158425503 938623132 /nfs/dbraw/zinc/62/31/32/938623132.db2.gz PZORMVFZSOTPAA-MRVPVSSYSA-N 1 1 283.719 1.241 20 5 CDBDMO COc1ncnc(N[C@@]2(C)CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001162340864 939031307 /nfs/dbraw/zinc/03/13/07/939031307.db2.gz HORMSUCQYRAWBM-LBPRGKRZSA-N 1 1 281.316 1.290 20 5 CDBDMO CC[NH+](CC)CCNC(=N)Nc1nccc(C)c1[N+](=O)[O-] ZINC001163122256 939204401 /nfs/dbraw/zinc/20/44/01/939204401.db2.gz FTMBBCVUYNVELF-UHFFFAOYSA-N 1 1 294.359 1.576 20 5 CDBDMO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCC1(F)F ZINC001164319220 939454399 /nfs/dbraw/zinc/45/43/99/939454399.db2.gz BCCGPIKQRSHJIV-MRVPVSSYSA-N 1 1 276.218 1.302 20 5 CDBDMO COc1cc(N2CCC(F)(F)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001164319488 939454513 /nfs/dbraw/zinc/45/45/13/939454513.db2.gz HVUNYPLCFPSZCX-SECBINFHSA-N 1 1 288.254 1.171 20 5 CDBDMO [NH3+][C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CCC1(F)F ZINC001164324276 939456550 /nfs/dbraw/zinc/45/65/50/939456550.db2.gz SAELKHXZVLURTI-VIFPVBQESA-N 1 1 297.265 1.644 20 5 CDBDMO O=[N+]([O-])c1ncccc1OC1CC[NH+](CCF)CC1 ZINC001225628402 941890832 /nfs/dbraw/zinc/89/08/32/941890832.db2.gz LYYBSVXJWJQJOK-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO Cc1ccnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1[N+](=O)[O-] ZINC001226116653 941953640 /nfs/dbraw/zinc/95/36/40/941953640.db2.gz SRDQQCGFEMWTHA-WCQGTBRESA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001226116653 941953644 /nfs/dbraw/zinc/95/36/44/941953644.db2.gz SRDQQCGFEMWTHA-WCQGTBRESA-N 1 1 291.307 1.481 20 5 CDBDMO O=C1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001330546268 941975234 /nfs/dbraw/zinc/97/52/34/941975234.db2.gz DQTZHDMNGNGZLM-VIFPVBQESA-N 1 1 261.281 1.047 20 5 CDBDMO O=C1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001330546268 941975238 /nfs/dbraw/zinc/97/52/38/941975238.db2.gz DQTZHDMNGNGZLM-VIFPVBQESA-N 1 1 261.281 1.047 20 5 CDBDMO CCOC(=O)c1ccc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227298790 942164880 /nfs/dbraw/zinc/16/48/80/942164880.db2.gz NNDLJDNWASSWRH-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cnccc1[N+](=O)[O-])C2 ZINC001228879497 942387560 /nfs/dbraw/zinc/38/75/60/942387560.db2.gz HEOXTBBMSOBHNC-JGPRNRPPSA-N 1 1 263.297 1.994 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230448 942592302 /nfs/dbraw/zinc/59/23/02/942592302.db2.gz RIBRPEQYZFKIOX-MRVPVSSYSA-N 1 1 277.284 1.339 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262696907 943673726 /nfs/dbraw/zinc/67/37/26/943673726.db2.gz WKCMAEFFYVCCOK-VIFPVBQESA-N 1 1 267.333 1.713 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@](C)(O)C1 ZINC001254552608 947521774 /nfs/dbraw/zinc/52/17/74/947521774.db2.gz NJYPLBPYXRUXMQ-WFASDCNBSA-N 1 1 294.351 1.609 20 5 CDBDMO Cc1nonc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572005 947529629 /nfs/dbraw/zinc/52/96/29/947529629.db2.gz GCKMJIHYKZZHKL-NSHDSACASA-N 1 1 274.280 1.543 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](O)[C@@H](F)C1)C2 ZINC001254592910 947541736 /nfs/dbraw/zinc/54/17/36/947541736.db2.gz GXBRVMSCHQUVGF-HZSPNIEDSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](O)[C@@H](F)C1)C2 ZINC001254592910 947541743 /nfs/dbraw/zinc/54/17/43/947541743.db2.gz GXBRVMSCHQUVGF-HZSPNIEDSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@](F)(CO)C1)C2 ZINC001254596288 947544790 /nfs/dbraw/zinc/54/47/90/947544790.db2.gz CEDSDOVAMHRGAS-ZIAGYGMSSA-N 1 1 280.299 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@](F)(CO)C1)C2 ZINC001254596288 947544795 /nfs/dbraw/zinc/54/47/95/947544795.db2.gz CEDSDOVAMHRGAS-ZIAGYGMSSA-N 1 1 280.299 1.468 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593959 947545231 /nfs/dbraw/zinc/54/52/31/947545231.db2.gz OKACKFJKESWSKR-KMUNFCNLSA-N 1 1 276.336 1.765 20 5 CDBDMO CN1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254597152 947545513 /nfs/dbraw/zinc/54/55/13/947545513.db2.gz BHYVVJLEGUVLJJ-AWEZNQCLSA-N 1 1 289.335 1.226 20 5 CDBDMO CN1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254597152 947545523 /nfs/dbraw/zinc/54/55/23/947545523.db2.gz BHYVVJLEGUVLJJ-AWEZNQCLSA-N 1 1 289.335 1.226 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](O)CC1)C2 ZINC001254600845 947550223 /nfs/dbraw/zinc/55/02/23/947550223.db2.gz VVPHNJCQSJAYKT-GJZGRUSLSA-N 1 1 276.336 1.909 20 5 CDBDMO C[N@@H+](CCC1OCCO1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603813 947552350 /nfs/dbraw/zinc/55/23/50/947552350.db2.gz QXYYFESRAMCIQE-AWEZNQCLSA-N 1 1 292.335 1.757 20 5 CDBDMO C[N@@H+](CC1COC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603628 947553411 /nfs/dbraw/zinc/55/34/11/947553411.db2.gz OXZFSILLLJSJDA-CQSZACIVSA-N 1 1 262.309 1.640 20 5 CDBDMO CC(=O)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608635 947556832 /nfs/dbraw/zinc/55/68/32/947556832.db2.gz RLVLPJMEPYECBU-WFASDCNBSA-N 1 1 274.320 1.973 20 5 CDBDMO N[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603315 948338535 /nfs/dbraw/zinc/33/85/35/948338535.db2.gz YLJFOWHDSBKELK-KXUCPTDWSA-N 1 1 263.288 1.100 20 5 CDBDMO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CCC1 ZINC001249088339 949377256 /nfs/dbraw/zinc/37/72/56/949377256.db2.gz SJVNYOGBXSHQAR-VIFPVBQESA-N 1 1 293.258 1.979 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331602660 957161468 /nfs/dbraw/zinc/16/14/68/957161468.db2.gz ZIYRKUFETZLUKG-PHIMTYICSA-N 1 1 293.323 1.906 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331602660 957161500 /nfs/dbraw/zinc/16/15/00/957161500.db2.gz ZIYRKUFETZLUKG-PHIMTYICSA-N 1 1 293.323 1.906 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001318838267 958277395 /nfs/dbraw/zinc/27/73/95/958277395.db2.gz AJLPSBWIJSTCCM-UHFFFAOYSA-N 1 1 295.726 1.850 20 5 CDBDMO Cc1ccc(NCCNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c1 ZINC001355138845 969059184 /nfs/dbraw/zinc/05/91/84/969059184.db2.gz SZXBOXGBGRKFMJ-UHFFFAOYSA-N 1 1 294.355 1.754 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H](F)[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001358429783 969735796 /nfs/dbraw/zinc/73/57/96/969735796.db2.gz ZBVUHQPOWMDGOO-NTZNESFSSA-N 1 1 299.277 1.287 20 5 CDBDMO CC[N@H+]1CCN(c2nc(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563032 1163214050 /nfs/dbraw/zinc/21/40/50/1163214050.db2.gz SMCMDTOXWJESRD-UHFFFAOYSA-N 1 1 279.344 1.614 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(O)CC2)c1 ZINC000589495214 342507783 /nfs/dbraw/zinc/50/77/83/342507783.db2.gz ITKXMYQAJIEXKR-UHFFFAOYSA-N 1 1 294.307 1.338 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879246 342516088 /nfs/dbraw/zinc/51/60/88/342516088.db2.gz VPFONTMVOCKYDI-CYBMUJFWSA-N 1 1 262.313 1.522 20 5 CDBDMO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000601232231 342537526 /nfs/dbraw/zinc/53/75/26/342537526.db2.gz ORSBGHSSUJMPHK-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327576 342554180 /nfs/dbraw/zinc/55/41/80/342554180.db2.gz WVSRDKQAUXSINU-MWLCHTKSSA-N 1 1 265.313 1.327 20 5 CDBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000609150147 342092491 /nfs/dbraw/zinc/09/24/91/342092491.db2.gz RFOJFPZDIRIHSJ-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000609150147 342092492 /nfs/dbraw/zinc/09/24/92/342092492.db2.gz RFOJFPZDIRIHSJ-NSHDSACASA-N 1 1 265.313 1.727 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609316281 342102138 /nfs/dbraw/zinc/10/21/38/342102138.db2.gz PCDOMBWYBYENEJ-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000049460903 342140835 /nfs/dbraw/zinc/14/08/35/342140835.db2.gz QZPOTTJPGYEJSE-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO CCCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000048047728 342153933 /nfs/dbraw/zinc/15/39/33/342153933.db2.gz ZKKUSJUJZLMILT-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO CC1([NH3+])CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592484931 342695740 /nfs/dbraw/zinc/69/57/40/342695740.db2.gz JIYYQNXUIHOQQU-UHFFFAOYSA-N 1 1 263.341 1.951 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917407 342851143 /nfs/dbraw/zinc/85/11/43/342851143.db2.gz VQEQSJOAICKLNV-WPRPVWTQSA-N 1 1 295.343 1.216 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382333 342263780 /nfs/dbraw/zinc/26/37/80/342263780.db2.gz AOIPJMGGOHCTHI-JTQLQIEISA-N 1 1 278.312 1.137 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000126037628 187212531 /nfs/dbraw/zinc/21/25/31/187212531.db2.gz ZKSSLJDSNXXUMZ-UHFFFAOYSA-N 1 1 277.324 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000595045636 342999041 /nfs/dbraw/zinc/99/90/41/342999041.db2.gz OKQWUFAISVANGX-ZJUUUORDSA-N 1 1 295.339 1.731 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNC(=O)C1 ZINC000595286673 343023202 /nfs/dbraw/zinc/02/32/02/343023202.db2.gz GBFDUXZDVIJILM-JTQLQIEISA-N 1 1 263.297 1.163 20 5 CDBDMO Cc1noc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000595511667 343081698 /nfs/dbraw/zinc/08/16/98/343081698.db2.gz IYRUODADGMADNA-IUCAKERBSA-N 1 1 255.274 1.140 20 5 CDBDMO Cc1noc(CN(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC000595593282 343096136 /nfs/dbraw/zinc/09/61/36/343096136.db2.gz UIDHEGRCGHSJEQ-UHFFFAOYSA-N 1 1 251.246 1.246 20 5 CDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674542 343129040 /nfs/dbraw/zinc/12/90/40/343129040.db2.gz LERDUMWFLUYKEZ-YPMHNXCESA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596195061 343254295 /nfs/dbraw/zinc/25/42/95/343254295.db2.gz DTVZNSNHVOJXLJ-NSHDSACASA-N 1 1 271.342 1.443 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](O)C3)nc2c1 ZINC000083127357 342377613 /nfs/dbraw/zinc/37/76/13/342377613.db2.gz GJWDUNKKIYLVSH-JTQLQIEISA-N 1 1 277.280 1.693 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](O)C3)nc2c1 ZINC000083127357 342377614 /nfs/dbraw/zinc/37/76/14/342377614.db2.gz GJWDUNKKIYLVSH-JTQLQIEISA-N 1 1 277.280 1.693 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337081 343297867 /nfs/dbraw/zinc/29/78/67/343297867.db2.gz UBXYQZCTVYNLMA-MRVPVSSYSA-N 1 1 280.332 1.082 20 5 CDBDMO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596429542 343316155 /nfs/dbraw/zinc/31/61/55/343316155.db2.gz JWFDHTZUESSXBM-NWDGAFQWSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596429542 343316156 /nfs/dbraw/zinc/31/61/56/343316156.db2.gz JWFDHTZUESSXBM-NWDGAFQWSA-N 1 1 294.355 1.241 20 5 CDBDMO C[N@@H+](CCC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265306 529874251 /nfs/dbraw/zinc/87/42/51/529874251.db2.gz AOKFAPQZDUVWET-VIFPVBQESA-N 1 1 296.249 1.036 20 5 CDBDMO COCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000304825464 349877529 /nfs/dbraw/zinc/87/75/29/349877529.db2.gz FTUQBWZLAPTKQB-UHFFFAOYSA-N 1 1 295.295 1.177 20 5 CDBDMO COCC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000304825464 349877532 /nfs/dbraw/zinc/87/75/32/349877532.db2.gz FTUQBWZLAPTKQB-UHFFFAOYSA-N 1 1 295.295 1.177 20 5 CDBDMO C[N@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000599139819 343960042 /nfs/dbraw/zinc/96/00/42/343960042.db2.gz QMHBYILCNSMYIB-SECBINFHSA-N 1 1 270.358 1.617 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980401 344306676 /nfs/dbraw/zinc/30/66/76/344306676.db2.gz VHPFTVJUGXYJBH-LBPRGKRZSA-N 1 1 265.313 1.016 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623522 344501026 /nfs/dbraw/zinc/50/10/26/344501026.db2.gz HLLGHNJMZFIVMF-MWLCHTKSSA-N 1 1 250.302 1.703 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000602800993 344590669 /nfs/dbraw/zinc/59/06/69/344590669.db2.gz KJAXIYNYSFHNLB-OLZOCXBDSA-N 1 1 296.371 1.583 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC(C)(C)C1 ZINC000602781343 344596655 /nfs/dbraw/zinc/59/66/55/344596655.db2.gz SRHDGUPJXZHVJS-UHFFFAOYSA-N 1 1 284.385 1.927 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293133886 362531526 /nfs/dbraw/zinc/53/15/26/362531526.db2.gz NBJRBJOZYNHTNN-ZIAGYGMSSA-N 1 1 280.324 1.475 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293378073 362555456 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C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292050506 198146581 /nfs/dbraw/zinc/14/65/81/198146581.db2.gz BMIUGHZHWYRLED-UHFFFAOYSA-N 1 1 295.295 1.850 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292050506 198146582 /nfs/dbraw/zinc/14/65/82/198146582.db2.gz BMIUGHZHWYRLED-UHFFFAOYSA-N 1 1 295.295 1.850 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000155262497 188194673 /nfs/dbraw/zinc/19/46/73/188194673.db2.gz MHEKSDMZPLQAGJ-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000273591650 192220025 /nfs/dbraw/zinc/22/00/25/192220025.db2.gz HHTLSPWOHYSATH-WDEREUQCSA-N 1 1 279.344 1.917 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637833 192241292 /nfs/dbraw/zinc/24/12/92/192241292.db2.gz RLDSCKADRWKGKA-JTQLQIEISA-N 1 1 265.317 1.163 20 5 CDBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1C1CC1 ZINC000267895293 363560296 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CDBDMO CC[C@H]1C[N@@H+](CC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000451728276 359073954 /nfs/dbraw/zinc/07/39/54/359073954.db2.gz FEYVZMPMNKXTDH-LBPRGKRZSA-N 1 1 281.360 1.207 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451774919 359077963 /nfs/dbraw/zinc/07/79/63/359077963.db2.gz CDXUPOCWFWNRBL-NSHDSACASA-N 1 1 284.360 1.520 20 5 CDBDMO COCC[N@@H+](C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000313947530 359154065 /nfs/dbraw/zinc/15/40/65/359154065.db2.gz BRPIOWHWXBTLSV-LBPRGKRZSA-N 1 1 298.339 1.221 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000338784019 359169235 /nfs/dbraw/zinc/16/92/35/359169235.db2.gz QVDSUTDRLBCLME-UHFFFAOYSA-N 1 1 296.323 1.859 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000339779807 359437179 /nfs/dbraw/zinc/43/71/79/359437179.db2.gz HDHWFLWRHBLPTR-LBPRGKRZSA-N 1 1 293.323 1.041 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837946 200011930 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C[C@H](O)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000131322670 364013851 /nfs/dbraw/zinc/01/38/51/364013851.db2.gz AIPAMIJVUWPDBX-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000170601964 364190910 /nfs/dbraw/zinc/19/09/10/364190910.db2.gz RRKMGSZRNLSUQH-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(O)CCOCC1 ZINC000275505421 193060831 /nfs/dbraw/zinc/06/08/31/193060831.db2.gz HGORXFZUOYTOFT-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270883686 366942464 /nfs/dbraw/zinc/94/24/64/366942464.db2.gz KKPUIWWMCAXSCI-MFKMUULPSA-N 1 1 293.323 1.236 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270883686 366942470 /nfs/dbraw/zinc/94/24/70/366942470.db2.gz KKPUIWWMCAXSCI-MFKMUULPSA-N 1 1 293.323 1.236 20 5 CDBDMO CC[C@@H](C)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548714 367604231 /nfs/dbraw/zinc/60/42/31/367604231.db2.gz OJPITTJICXOQID-LLVKDONJSA-N 1 1 267.329 1.734 20 5 CDBDMO Cc1c(C[N@@H+]2CCSC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000330845389 203305896 /nfs/dbraw/zinc/30/58/96/203305896.db2.gz NPVNHFMQJFQPGE-LBPRGKRZSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1c(C[N@H+]2CCSC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000330845389 203305898 /nfs/dbraw/zinc/30/58/98/203305898.db2.gz NPVNHFMQJFQPGE-LBPRGKRZSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000276541687 193373853 /nfs/dbraw/zinc/37/38/53/193373853.db2.gz FBYDSSODUQBFNR-UHFFFAOYSA-N 1 1 292.339 1.308 20 5 CDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331732905 204107635 /nfs/dbraw/zinc/10/76/35/204107635.db2.gz SIIRYYAZABYMHI-NSHDSACASA-N 1 1 289.335 1.826 20 5 CDBDMO CCCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000065534243 374273526 /nfs/dbraw/zinc/27/35/26/374273526.db2.gz OZWZNEIIBIIONC-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO CCC[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076951564 374236196 /nfs/dbraw/zinc/23/61/96/374236196.db2.gz GOXIZTPRVPDDQG-UHFFFAOYSA-N 1 1 295.339 1.262 20 5 CDBDMO CC[C@H](N)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484579 374385598 /nfs/dbraw/zinc/38/55/98/374385598.db2.gz YPTOSGLJHWQCGA-JQWIXIFHSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484579 374385605 /nfs/dbraw/zinc/38/56/05/374385605.db2.gz YPTOSGLJHWQCGA-JQWIXIFHSA-N 1 1 251.330 1.853 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000277474035 374790088 /nfs/dbraw/zinc/79/00/88/374790088.db2.gz IDVIAKCIEJTLQK-SNVBAGLBSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474035 374790093 /nfs/dbraw/zinc/79/00/93/374790093.db2.gz IDVIAKCIEJTLQK-SNVBAGLBSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474035 374790098 /nfs/dbraw/zinc/79/00/98/374790098.db2.gz IDVIAKCIEJTLQK-SNVBAGLBSA-N 1 1 293.327 1.065 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020280 374878947 /nfs/dbraw/zinc/87/89/47/374878947.db2.gz XLVOVMPCTHNSIU-PWSUYJOCSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000331020278 374881072 /nfs/dbraw/zinc/88/10/72/374881072.db2.gz XLVOVMPCTHNSIU-JQWIXIFHSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143484 374983708 /nfs/dbraw/zinc/98/37/08/374983708.db2.gz REFVGCFWBYSEOR-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000280351151 374992864 /nfs/dbraw/zinc/99/28/64/374992864.db2.gz WPKKLUZVXPGVFL-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC(F)(F)C[NH3+] ZINC000162680398 375398101 /nfs/dbraw/zinc/39/81/01/375398101.db2.gz RYKGGVGNAOALNB-UHFFFAOYSA-N 1 1 263.248 1.126 20 5 CDBDMO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119445 375553486 /nfs/dbraw/zinc/55/34/86/375553486.db2.gz JBWQGRZLTJGYPC-GXFFZTMASA-N 1 1 267.329 1.168 20 5 CDBDMO C[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000163605994 375748037 /nfs/dbraw/zinc/74/80/37/375748037.db2.gz REOBAOZDPXTJKL-ZDUSSCGKSA-N 1 1 295.295 1.850 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000163605994 375748041 /nfs/dbraw/zinc/74/80/41/375748041.db2.gz REOBAOZDPXTJKL-ZDUSSCGKSA-N 1 1 295.295 1.850 20 5 CDBDMO COC(=O)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355335613 375790283 /nfs/dbraw/zinc/79/02/83/375790283.db2.gz SZXFVQQAKPHAED-UHFFFAOYSA-N 1 1 284.316 1.102 20 5 CDBDMO COC(=O)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355335613 375790289 /nfs/dbraw/zinc/79/02/89/375790289.db2.gz SZXFVQQAKPHAED-UHFFFAOYSA-N 1 1 284.316 1.102 20 5 CDBDMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000357403925 375905423 /nfs/dbraw/zinc/90/54/23/375905423.db2.gz WBGIZLQNOMDCMX-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296589003 376548631 /nfs/dbraw/zinc/54/86/31/376548631.db2.gz RUGDSSMTJAPKIW-SNVBAGLBSA-N 1 1 279.344 1.980 20 5 CDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264474114 190112545 /nfs/dbraw/zinc/11/25/45/190112545.db2.gz GRZFDTBMOYFSMS-JTQLQIEISA-N 1 1 299.352 1.107 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000267068086 376794749 /nfs/dbraw/zinc/79/47/49/376794749.db2.gz KAVZVLVBQZWIOL-WDEREUQCSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000267068086 376794752 /nfs/dbraw/zinc/79/47/52/376794752.db2.gz KAVZVLVBQZWIOL-WDEREUQCSA-N 1 1 266.301 1.045 20 5 CDBDMO C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471783 377815911 /nfs/dbraw/zinc/81/59/11/377815911.db2.gz VWTMICHBUMYWPX-VXGBXAGGSA-N 1 1 280.324 1.819 20 5 CDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000173494482 378481611 /nfs/dbraw/zinc/48/16/11/378481611.db2.gz WOIDLNLAVXMILT-LLVKDONJSA-N 1 1 296.323 1.439 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000443509588 250036989 /nfs/dbraw/zinc/03/69/89/250036989.db2.gz JJKWPWFKZRSXMM-UHFFFAOYSA-N 1 1 258.347 1.617 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cnc1NCC[NH+]1CCC1 ZINC000443890229 250061183 /nfs/dbraw/zinc/06/11/83/250061183.db2.gz VCTYFMRCQSYZMY-UHFFFAOYSA-N 1 1 256.693 1.761 20 5 CDBDMO CCC[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174855401 379593087 /nfs/dbraw/zinc/59/30/87/379593087.db2.gz VZJLGNXEPSPHLZ-UHFFFAOYSA-N 1 1 295.387 1.598 20 5 CDBDMO CCCN1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174855401 379593096 /nfs/dbraw/zinc/59/30/96/379593096.db2.gz VZJLGNXEPSPHLZ-UHFFFAOYSA-N 1 1 295.387 1.598 20 5 CDBDMO CCCN1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174855401 379593103 /nfs/dbraw/zinc/59/31/03/379593103.db2.gz 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COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229578265 140202443 /nfs/dbraw/zinc/20/24/43/140202443.db2.gz CPPJAAHEHDYFTQ-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252545787 140320246 /nfs/dbraw/zinc/32/02/46/140320246.db2.gz JTAAALWNTXBIPQ-AAEUAGOBSA-N 1 1 292.339 1.573 20 5 CDBDMO C[C@@]1(C[NH3+])CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261755671 140385081 /nfs/dbraw/zinc/38/50/81/140385081.db2.gz QPWVYDJYZPHTCW-AWEZNQCLSA-N 1 1 279.340 1.644 20 5 CDBDMO COc1cc(C[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000093481458 147055431 /nfs/dbraw/zinc/05/54/31/147055431.db2.gz CQHNMTBROREVLA-SNVBAGLBSA-N 1 1 298.339 1.815 20 5 CDBDMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000093481458 147055436 /nfs/dbraw/zinc/05/54/36/147055436.db2.gz CQHNMTBROREVLA-SNVBAGLBSA-N 1 1 298.339 1.815 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269602 148032518 /nfs/dbraw/zinc/03/25/18/148032518.db2.gz WHJFJXCXGVDIFX-CYBMUJFWSA-N 1 1 295.387 1.598 20 5 CDBDMO O=C(C[N@H+]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000313960691 149250098 /nfs/dbraw/zinc/25/00/98/149250098.db2.gz JEIOAXHRGKIYIE-NSHDSACASA-N 1 1 293.323 1.380 20 5 CDBDMO O=C(C[N@@H+]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000313960691 149250103 /nfs/dbraw/zinc/25/01/03/149250103.db2.gz JEIOAXHRGKIYIE-NSHDSACASA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000334042633 149306099 /nfs/dbraw/zinc/30/60/99/149306099.db2.gz UZLANUKDHZTOFN-WPRPVWTQSA-N 1 1 283.353 1.869 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948582 152366191 /nfs/dbraw/zinc/36/61/91/152366191.db2.gz IGCSOQDHJDLPFJ-LLVKDONJSA-N 1 1 281.360 1.923 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000343992541 152381852 /nfs/dbraw/zinc/38/18/52/152381852.db2.gz YHVPKQFUFNKVEU-LLVKDONJSA-N 1 1 264.329 1.698 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262315 153116379 /nfs/dbraw/zinc/11/63/79/153116379.db2.gz AJJYIGBNOPGSRO-ZDUSSCGKSA-N 1 1 278.312 1.091 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352228758 155041320 /nfs/dbraw/zinc/04/13/20/155041320.db2.gz AGKUOMZARDNVFH-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352228758 155041322 /nfs/dbraw/zinc/04/13/22/155041322.db2.gz AGKUOMZARDNVFH-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])o1 ZINC000375388036 160375164 /nfs/dbraw/zinc/37/51/64/160375164.db2.gz OWYIIBQQDMVXSL-UHFFFAOYSA-N 1 1 290.279 1.651 20 5 CDBDMO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353866173 156133121 /nfs/dbraw/zinc/13/31/21/156133121.db2.gz MITCSBRIGIRLDA-KOLCDFICSA-N 1 1 284.337 1.260 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362072342 159059194 /nfs/dbraw/zinc/05/91/94/159059194.db2.gz MJCFEMCUGDSDJB-DGCLKSJQSA-N 1 1 264.325 1.698 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086137 159065205 /nfs/dbraw/zinc/06/52/05/159065205.db2.gz IEEOCHHDEBDUGS-NWDGAFQWSA-N 1 1 280.324 1.534 20 5 CDBDMO C[C@@H]1COCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374381990 160280365 /nfs/dbraw/zinc/28/03/65/160280365.db2.gz ZDHCIEOLVIPSIX-JTQLQIEISA-N 1 1 293.323 1.162 20 5 CDBDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374381990 160280366 /nfs/dbraw/zinc/28/03/66/160280366.db2.gz ZDHCIEOLVIPSIX-JTQLQIEISA-N 1 1 293.323 1.162 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563117 175206394 /nfs/dbraw/zinc/20/63/94/175206394.db2.gz DBYLDBUOXWTCBK-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO COC(=O)[C@H](C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355556696 277116297 /nfs/dbraw/zinc/11/62/97/277116297.db2.gz RCCIFSNKXZQQSK-SECBINFHSA-N 1 1 296.327 1.102 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355556696 277116298 /nfs/dbraw/zinc/11/62/98/277116298.db2.gz RCCIFSNKXZQQSK-SECBINFHSA-N 1 1 296.327 1.102 20 5 CDBDMO C[N@@H+](CCOCC1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552148 279279308 /nfs/dbraw/zinc/27/93/08/279279308.db2.gz FIUISINPVBZUBH-UHFFFAOYSA-N 1 1 295.339 1.115 20 5 CDBDMO Cc1cccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000295250436 281190599 /nfs/dbraw/zinc/19/05/99/281190599.db2.gz QEWOMBKMZLHWCR-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000061379448 523616642 /nfs/dbraw/zinc/61/66/42/523616642.db2.gz PRGOEZAQECFGNI-UHFFFAOYSA-N 1 1 253.302 1.585 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304362844 528741233 /nfs/dbraw/zinc/74/12/33/528741233.db2.gz UMQYXEQVYKPICA-AWEZNQCLSA-N 1 1 296.371 1.807 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@@H]21 ZINC000269000352 536379736 /nfs/dbraw/zinc/37/97/36/536379736.db2.gz JNPVXPJJVKRTJP-PWSUYJOCSA-N 1 1 292.339 1.479 20 5 CDBDMO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414802765 536897709 /nfs/dbraw/zinc/89/77/09/536897709.db2.gz VWZZGSGKLJLNGS-NWDGAFQWSA-N 1 1 279.340 1.820 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344309 576675414 /nfs/dbraw/zinc/67/54/14/576675414.db2.gz AHGGLXWUUUZIHO-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO CC[N@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000812301728 617269520 /nfs/dbraw/zinc/26/95/20/617269520.db2.gz LJHCLIROZQUTGZ-SECBINFHSA-N 1 1 256.306 1.414 20 5 CDBDMO CC[N@@H+](C[C@@H](C)OC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000812301728 617269522 /nfs/dbraw/zinc/26/95/22/617269522.db2.gz LJHCLIROZQUTGZ-SECBINFHSA-N 1 1 256.306 1.414 20 5 CDBDMO COc1c(O)ccc(C[NH+]2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000891572506 617484226 /nfs/dbraw/zinc/48/42/26/617484226.db2.gz HAPYDIIWBKMWSU-UHFFFAOYSA-N 1 1 296.323 1.513 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c([N+](=O)[O-])cnn1C ZINC000892555482 617500605 /nfs/dbraw/zinc/50/06/05/617500605.db2.gz UPJAICMSONSQNW-SNVBAGLBSA-N 1 1 267.333 1.106 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893872511 618117017 /nfs/dbraw/zinc/11/70/17/618117017.db2.gz KXLBEHMLSZMPAN-MRVPVSSYSA-N 1 1 299.277 1.697 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000893872511 618117024 /nfs/dbraw/zinc/11/70/24/618117024.db2.gz KXLBEHMLSZMPAN-MRVPVSSYSA-N 1 1 299.277 1.697 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000894435990 618886027 /nfs/dbraw/zinc/88/60/27/618886027.db2.gz GMMAUDNJCSXNDG-WDEREUQCSA-N 1 1 279.344 1.757 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H](C)OC)c1[N+](=O)[O-] ZINC000894436495 618886218 /nfs/dbraw/zinc/88/62/18/618886218.db2.gz XAHKGAQSDHHPRG-VIFPVBQESA-N 1 1 284.312 1.776 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)C[C@H](C)OC)c1[N+](=O)[O-] ZINC000894436495 618886220 /nfs/dbraw/zinc/88/62/20/618886220.db2.gz XAHKGAQSDHHPRG-VIFPVBQESA-N 1 1 284.312 1.776 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246949 619493277 /nfs/dbraw/zinc/49/32/77/619493277.db2.gz DFQZCRFTERHUQM-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895246949 619493280 /nfs/dbraw/zinc/49/32/80/619493280.db2.gz DFQZCRFTERHUQM-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895246949 619493282 /nfs/dbraw/zinc/49/32/82/619493282.db2.gz DFQZCRFTERHUQM-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247445 619493618 /nfs/dbraw/zinc/49/36/18/619493618.db2.gz TXLNJQIPTCEPAP-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895247445 619493628 /nfs/dbraw/zinc/49/36/28/619493628.db2.gz TXLNJQIPTCEPAP-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895247445 619493634 /nfs/dbraw/zinc/49/36/34/619493634.db2.gz TXLNJQIPTCEPAP-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nn(C)c(NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000895466519 619680593 /nfs/dbraw/zinc/68/05/93/619680593.db2.gz VYJJRVAQTIOKKO-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902935637 625661997 /nfs/dbraw/zinc/66/19/97/625661997.db2.gz YXLJFFLTLDRFOL-NSHDSACASA-N 1 1 264.285 1.420 20 5 CDBDMO CC(C)c1ccc(C[NH2+][C@H]2CNOC2)cc1[N+](=O)[O-] ZINC000904427224 626289670 /nfs/dbraw/zinc/28/96/70/626289670.db2.gz SBQJMODSFLGISY-NSHDSACASA-N 1 1 265.313 1.711 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1Br ZINC000905038696 626378874 /nfs/dbraw/zinc/37/88/74/626378874.db2.gz QAJMVDWEXMPWPU-UHFFFAOYSA-N 1 1 259.103 1.815 20 5 CDBDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905026659 626390158 /nfs/dbraw/zinc/39/01/58/626390158.db2.gz NPSKSIPFPJNIOG-UHFFFAOYSA-N 1 1 274.324 1.855 20 5 CDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000905213548 626694596 /nfs/dbraw/zinc/69/45/96/626694596.db2.gz CHKGIGHKRDEPIW-YPMHNXCESA-N 1 1 251.330 1.544 20 5 CDBDMO COc1ccc(C2=NO[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1F ZINC000905256002 626707488 /nfs/dbraw/zinc/70/74/88/626707488.db2.gz WSEVVHMFIUTICT-SNVBAGLBSA-N 1 1 297.286 1.194 20 5 CDBDMO CCCCCC(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929421261 630639126 /nfs/dbraw/zinc/63/91/26/630639126.db2.gz NGBCZTSSMGZMTI-UHFFFAOYSA-N 1 1 271.361 1.424 20 5 CDBDMO Cc1nn(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000793770120 1162444140 /nfs/dbraw/zinc/44/41/40/1162444140.db2.gz WPPRWZAPGUMGOJ-CYBMUJFWSA-N 1 1 279.344 1.085 20 5 CDBDMO CC(C)N(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867942911 1164885506 /nfs/dbraw/zinc/88/55/06/1164885506.db2.gz IBCKPZLGIOMEPE-CYBMUJFWSA-N 1 1 265.313 1.636 20 5 CDBDMO C[C@@H]1CCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943332 1164885657 /nfs/dbraw/zinc/88/56/57/1164885657.db2.gz RSFQQBJTRPZZRN-QMTHXVAHSA-N 1 1 277.324 1.780 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000870853480 1165223629 /nfs/dbraw/zinc/22/36/29/1165223629.db2.gz JHBWDTCBOSKUJO-AWEZNQCLSA-N 1 1 277.324 1.781 20 5 CDBDMO Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1N ZINC001156010366 1167286397 /nfs/dbraw/zinc/28/63/97/1167286397.db2.gz KBGMYJWXISSDAI-UHFFFAOYSA-N 1 1 262.273 1.189 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164637825 719168597 /nfs/dbraw/zinc/16/85/97/719168597.db2.gz OYWLSGNWFOIWMK-JGVFFNPUSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164637825 719168600 /nfs/dbraw/zinc/16/86/00/719168600.db2.gz OYWLSGNWFOIWMK-JGVFFNPUSA-N 1 1 299.762 1.875 20 5 CDBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000158639416 784541878 /nfs/dbraw/zinc/54/18/78/784541878.db2.gz AKUHHYZSNSDUCI-JOYOIKCWSA-N 1 1 291.311 1.108 20 5 CDBDMO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401257 784804687 /nfs/dbraw/zinc/80/46/87/784804687.db2.gz RVRMIVQXSFAJRJ-RYUDHWBXSA-N 1 1 291.351 1.766 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000886480238 785092759 /nfs/dbraw/zinc/09/27/59/785092759.db2.gz BYGJXTCZACNFOQ-MCIONIFRSA-N 1 1 280.324 1.473 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173449666 785412381 /nfs/dbraw/zinc/41/23/81/785412381.db2.gz IQKUGIUWFNJQNL-GFCCVEGCSA-N 1 1 281.360 1.413 20 5 CDBDMO Cc1cc(Cc2noc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191713 785523019 /nfs/dbraw/zinc/52/30/19/785523019.db2.gz KSHPWNBAJIRDNL-MRVPVSSYSA-N 1 1 262.269 1.897 20 5 CDBDMO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930481041 785792140 /nfs/dbraw/zinc/79/21/40/785792140.db2.gz UNWXOEIFJCGDRK-LLVKDONJSA-N 1 1 273.333 1.254 20 5 CDBDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930481041 785792159 /nfs/dbraw/zinc/79/21/59/785792159.db2.gz UNWXOEIFJCGDRK-LLVKDONJSA-N 1 1 273.333 1.254 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000882491920 785801282 /nfs/dbraw/zinc/80/12/82/785801282.db2.gz LSRDXRAUJGTODI-JTQLQIEISA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886147467 785887984 /nfs/dbraw/zinc/88/79/84/785887984.db2.gz UEDUXRFKZQXGHX-ONGXEEELSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886147467 785887989 /nfs/dbraw/zinc/88/79/89/785887989.db2.gz UEDUXRFKZQXGHX-ONGXEEELSA-N 1 1 251.286 1.193 20 5 CDBDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932695308 785928406 /nfs/dbraw/zinc/92/84/06/785928406.db2.gz MXNCHPPMQXTZHK-LLVKDONJSA-N 1 1 287.360 1.500 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933904109 786317136 /nfs/dbraw/zinc/31/71/36/786317136.db2.gz VIGKOEFDUJIQLG-ZDUSSCGKSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933904109 786317143 /nfs/dbraw/zinc/31/71/43/786317143.db2.gz VIGKOEFDUJIQLG-ZDUSSCGKSA-N 1 1 278.308 1.932 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000822528298 786350159 /nfs/dbraw/zinc/35/01/59/786350159.db2.gz AMHGCCDLQHCYBU-NWDGAFQWSA-N 1 1 283.372 1.565 20 5 CDBDMO C[N@@H+](CCCF)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887136502 786466406 /nfs/dbraw/zinc/46/64/06/786466406.db2.gz VPHOZYNUBKPBEJ-GFCCVEGCSA-N 1 1 286.303 1.626 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886162644 786688813 /nfs/dbraw/zinc/68/88/13/786688813.db2.gz VBZOBRQBJTWJME-MWLCHTKSSA-N 1 1 251.286 1.193 20 5 CDBDMO CC(C)(CCC(=O)NCC[N@@H+]1CC=CCC1)[N+](=O)[O-] ZINC000830972121 786822977 /nfs/dbraw/zinc/82/29/77/786822977.db2.gz GFOJWAHPQAZEOX-UHFFFAOYSA-N 1 1 269.345 1.200 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712549184 786849341 /nfs/dbraw/zinc/84/93/41/786849341.db2.gz QDKFAKIIHFKCKX-ZETCQYMHSA-N 1 1 279.325 1.716 20 5 CDBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000930320714 786899733 /nfs/dbraw/zinc/89/97/33/786899733.db2.gz RFBAHKHHEYIBOB-DYEKYZERSA-N 1 1 268.357 1.933 20 5 CDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000930320714 786899735 /nfs/dbraw/zinc/89/97/35/786899735.db2.gz RFBAHKHHEYIBOB-DYEKYZERSA-N 1 1 268.357 1.933 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000779868555 787875485 /nfs/dbraw/zinc/87/54/85/787875485.db2.gz WXHQHYXLJLNREJ-CYBMUJFWSA-N 1 1 294.355 1.948 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000859639937 788005000 /nfs/dbraw/zinc/00/50/00/788005000.db2.gz DJOVAJJOARTGMJ-RRFJBIMHSA-N 1 1 292.335 1.882 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000859639937 788005012 /nfs/dbraw/zinc/00/50/12/788005012.db2.gz DJOVAJJOARTGMJ-RRFJBIMHSA-N 1 1 292.335 1.882 20 5 CDBDMO Cn1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776277797 788039051 /nfs/dbraw/zinc/03/90/51/788039051.db2.gz OXEGVJHPFZAJPP-AWEZNQCLSA-N 1 1 290.323 1.494 20 5 CDBDMO O=[N+]([O-])c1cccc(OCCN2CCn3cc[nH+]c32)c1 ZINC000931527028 788044054 /nfs/dbraw/zinc/04/40/54/788044054.db2.gz QIQTYLAEJYUTKZ-UHFFFAOYSA-N 1 1 274.280 1.690 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928564888 788096460 /nfs/dbraw/zinc/09/64/60/788096460.db2.gz GPCCFNPJOBUEKH-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928564888 788096469 /nfs/dbraw/zinc/09/64/69/788096469.db2.gz GPCCFNPJOBUEKH-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO C[C@@H]1[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000854496100 788377376 /nfs/dbraw/zinc/37/73/76/788377376.db2.gz DNUMTMCGQRHTBN-PSASIEDQSA-N 1 1 278.312 1.456 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859444 788572869 /nfs/dbraw/zinc/57/28/69/788572869.db2.gz SNRZZHYPNFAMAD-CYBMUJFWSA-N 1 1 296.323 1.513 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816174 788812280 /nfs/dbraw/zinc/81/22/80/788812280.db2.gz OUPGDPDUNYIFKK-CMPLNLGQSA-N 1 1 280.328 1.329 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000842622089 788953572 /nfs/dbraw/zinc/95/35/72/788953572.db2.gz NLLYJCDIWRWTDH-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000842622089 788953581 /nfs/dbraw/zinc/95/35/81/788953581.db2.gz NLLYJCDIWRWTDH-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000123831199 789401426 /nfs/dbraw/zinc/40/14/26/789401426.db2.gz XJQWVPRXSXYQQD-JTQLQIEISA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000123831199 789401435 /nfs/dbraw/zinc/40/14/35/789401435.db2.gz XJQWVPRXSXYQQD-JTQLQIEISA-N 1 1 266.301 1.250 20 5 CDBDMO COCCO[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886092226 789506554 /nfs/dbraw/zinc/50/65/54/789506554.db2.gz RGWWKBZPBFTKMQ-ZDUSSCGKSA-N 1 1 295.339 1.617 20 5 CDBDMO COCCO[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886092226 789506569 /nfs/dbraw/zinc/50/65/69/789506569.db2.gz RGWWKBZPBFTKMQ-ZDUSSCGKSA-N 1 1 295.339 1.617 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886272578 789636972 /nfs/dbraw/zinc/63/69/72/789636972.db2.gz UXQWZKUCXNQANB-VIFPVBQESA-N 1 1 251.286 1.335 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886272578 789636986 /nfs/dbraw/zinc/63/69/86/789636986.db2.gz UXQWZKUCXNQANB-VIFPVBQESA-N 1 1 251.286 1.335 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241254 789786905 /nfs/dbraw/zinc/78/69/05/789786905.db2.gz GRONEYIZHWKWJP-GJZGRUSLSA-N 1 1 294.351 1.985 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241254 789786909 /nfs/dbraw/zinc/78/69/09/789786909.db2.gz GRONEYIZHWKWJP-GJZGRUSLSA-N 1 1 294.351 1.985 20 5 CDBDMO CC(C)[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241257 789813209 /nfs/dbraw/zinc/81/32/09/789813209.db2.gz GRONEYIZHWKWJP-LSDHHAIUSA-N 1 1 294.351 1.985 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241257 789813210 /nfs/dbraw/zinc/81/32/10/789813210.db2.gz GRONEYIZHWKWJP-LSDHHAIUSA-N 1 1 294.351 1.985 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](F)(CO)C1 ZINC001173230708 912324582 /nfs/dbraw/zinc/32/45/82/912324582.db2.gz ZSKFNPKNYSWBTH-RISCZKNCSA-N 1 1 282.315 1.932 20 5 CDBDMO O=C(NCC[NH2+]CCC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936213 909930789 /nfs/dbraw/zinc/93/07/89/909930789.db2.gz AXEKLUITAWDOTB-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO COc1cccc(Nc2nccnc2C[NH3+])c1[N+](=O)[O-] ZINC001171447564 910633926 /nfs/dbraw/zinc/63/39/26/910633926.db2.gz HWSIYSGUWYQJIC-UHFFFAOYSA-N 1 1 275.268 1.596 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001168754566 922587960 /nfs/dbraw/zinc/58/79/60/922587960.db2.gz QVGQMOBJPHVREL-UHFFFAOYSA-N 1 1 258.241 1.116 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])n2)c1F ZINC001168757063 922779342 /nfs/dbraw/zinc/77/93/42/922779342.db2.gz PBQNOYIAABDADA-UHFFFAOYSA-N 1 1 251.221 1.082 20 5 CDBDMO C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000703904664 922843453 /nfs/dbraw/zinc/84/34/53/922843453.db2.gz WVEXJOHPOWJKGA-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000703904664 922843465 /nfs/dbraw/zinc/84/34/65/922843465.db2.gz WVEXJOHPOWJKGA-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO [NH3+]CC[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352271 923770775 /nfs/dbraw/zinc/77/07/75/923770775.db2.gz CLJGQGAHWFQEQJ-HIFRSBDPSA-N 1 1 293.367 1.832 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](F)(CO)CC2)C1 ZINC001169010524 927616384 /nfs/dbraw/zinc/61/63/84/927616384.db2.gz CWOLODCJFKZKGL-UPJWGTAASA-N 1 1 274.336 1.618 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@@]1(C)O ZINC001169012218 927616819 /nfs/dbraw/zinc/61/68/19/927616819.db2.gz OTGZWAHFLOLANB-AAVRWANBSA-N 1 1 270.373 1.915 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CO)CC2)C1 ZINC001169011314 927617920 /nfs/dbraw/zinc/61/79/20/927617920.db2.gz JRCPHYXPRFTGKI-YNEHKIRRSA-N 1 1 256.346 1.526 20 5 CDBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011270 927618115 /nfs/dbraw/zinc/61/81/15/927618115.db2.gz JBZIKYRYVTYJLY-RVMXOQNASA-N 1 1 256.346 1.667 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCC3)C2)C1 ZINC001169028919 927634954 /nfs/dbraw/zinc/63/49/54/927634954.db2.gz SUTRDHLPEDMSMH-HZSPNIEDSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC001169028919 927634963 /nfs/dbraw/zinc/63/49/63/927634963.db2.gz SUTRDHLPEDMSMH-HZSPNIEDSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC([NH+]3CCC(F)CC3)C2)C1 ZINC001169034140 927642062 /nfs/dbraw/zinc/64/20/62/927642062.db2.gz FNHVNNPTTIMSLT-WCQYABFASA-N 1 1 285.363 1.550 20 5 CDBDMO Cc1ncc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169036531 927644958 /nfs/dbraw/zinc/64/49/58/927644958.db2.gz GJRWISAVBQKPCP-DGCLKSJQSA-N 1 1 264.329 1.662 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC(N3CCCC3)C2)C1 ZINC001169037102 927646566 /nfs/dbraw/zinc/64/65/66/927646566.db2.gz QVHVEKUUDCYNII-RYUDHWBXSA-N 1 1 253.346 1.212 20 5 CDBDMO O=C1NC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039242 927651258 /nfs/dbraw/zinc/65/12/58/927651258.db2.gz OMZVUYUEKSAMHH-MDZLAQPJSA-N 1 1 283.328 1.006 20 5 CDBDMO CCOC(=O)C[N@@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041032 927652946 /nfs/dbraw/zinc/65/29/46/927652946.db2.gz AOCWTCMIXCIBMQ-MNOVXSKESA-N 1 1 258.318 1.317 20 5 CDBDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169040430 927654340 /nfs/dbraw/zinc/65/43/40/927654340.db2.gz ZVMJSDDKBNGBBG-BJJPWKGXSA-N 1 1 296.367 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057494 927675553 /nfs/dbraw/zinc/67/55/53/927675553.db2.gz WATRSLXHYZEEAL-CBBWQLFWSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057494 927675560 /nfs/dbraw/zinc/67/55/60/927675560.db2.gz WATRSLXHYZEEAL-CBBWQLFWSA-N 1 1 299.390 1.940 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2N)C1 ZINC001156390129 928479902 /nfs/dbraw/zinc/47/99/02/928479902.db2.gz WGNKYELHVILUFO-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001156580893 938388922 /nfs/dbraw/zinc/38/89/22/938388922.db2.gz ZLLHECXSKYLORY-ZETCQYMHSA-N 1 1 267.245 1.014 20 5 CDBDMO CC(C)[NH+]1CC(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001157531532 938505397 /nfs/dbraw/zinc/50/53/97/938505397.db2.gz NKWHJDCWTQFFPB-UHFFFAOYSA-N 1 1 251.290 1.077 20 5 CDBDMO COCCC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165097165 939509383 /nfs/dbraw/zinc/50/93/83/939509383.db2.gz GMAJCFALABFTBV-UHFFFAOYSA-N 1 1 298.318 1.287 20 5 CDBDMO COC(=O)c1ccc(CO[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223409513 941675622 /nfs/dbraw/zinc/67/56/22/941675622.db2.gz CRDFJQCKYFZOJT-LBPRGKRZSA-N 1 1 294.307 1.602 20 5 CDBDMO CC[N@@H+]1CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225489074 941869187 /nfs/dbraw/zinc/86/91/87/941869187.db2.gz QKFPHHJHLFMUTL-JTQLQIEISA-N 1 1 252.270 1.773 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225489074 941869191 /nfs/dbraw/zinc/86/91/91/941869191.db2.gz QKFPHHJHLFMUTL-JTQLQIEISA-N 1 1 252.270 1.773 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225664129 941896041 /nfs/dbraw/zinc/89/60/41/941896041.db2.gz JZVIIUCDSBFBEU-RLCGTCKNSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(F)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225664129 941896044 /nfs/dbraw/zinc/89/60/44/941896044.db2.gz JZVIIUCDSBFBEU-RLCGTCKNSA-N 1 1 294.282 1.917 20 5 CDBDMO Cc1nc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2[nH]1 ZINC001228327889 942299855 /nfs/dbraw/zinc/29/98/55/942299855.db2.gz WYILIYOIKFQLEY-LLVKDONJSA-N 1 1 292.359 1.234 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001228687003 942357920 /nfs/dbraw/zinc/35/79/20/942357920.db2.gz STVYENDTKIRROO-VIFPVBQESA-N 1 1 267.285 1.477 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1N ZINC001254550228 947521604 /nfs/dbraw/zinc/52/16/04/947521604.db2.gz GDZDNFXXAMHDFE-WCFLWFBJSA-N 1 1 263.341 1.995 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]1[NH3+] ZINC001254550228 947521621 /nfs/dbraw/zinc/52/16/21/947521621.db2.gz GDZDNFXXAMHDFE-WCFLWFBJSA-N 1 1 263.341 1.995 20 5 CDBDMO N[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565442 948280958 /nfs/dbraw/zinc/28/09/58/948280958.db2.gz CANLKEXNCRGTHQ-OPRDCNLKSA-N 1 1 281.278 1.397 20 5 CDBDMO N[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582436 948307184 /nfs/dbraw/zinc/30/71/84/948307184.db2.gz MKSXWJMJBKLLDO-QWHCGFSZSA-N 1 1 297.305 1.730 20 5 CDBDMO N[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582436 948307195 /nfs/dbraw/zinc/30/71/95/948307195.db2.gz MKSXWJMJBKLLDO-QWHCGFSZSA-N 1 1 297.305 1.730 20 5 CDBDMO [NH3+][C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582436 948307203 /nfs/dbraw/zinc/30/72/03/948307203.db2.gz MKSXWJMJBKLLDO-QWHCGFSZSA-N 1 1 297.305 1.730 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001307927492 956456014 /nfs/dbraw/zinc/45/60/14/956456014.db2.gz HWUCEXWWUVAGBY-OUAUKWLOSA-N 1 1 281.312 1.484 20 5 CDBDMO O=C1CC[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001330590741 956500818 /nfs/dbraw/zinc/50/08/18/956500818.db2.gz QVKOKGZGQSEFAY-NSHDSACASA-N 1 1 289.335 1.827 20 5 CDBDMO O=C1CC[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001330590741 956500824 /nfs/dbraw/zinc/50/08/24/956500824.db2.gz QVKOKGZGQSEFAY-NSHDSACASA-N 1 1 289.335 1.827 20 5 CDBDMO CCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001330690211 956571102 /nfs/dbraw/zinc/57/11/02/956571102.db2.gz UVMDBQAVLHXLAC-JTQLQIEISA-N 1 1 265.317 1.589 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC001335487188 959837500 /nfs/dbraw/zinc/83/75/00/959837500.db2.gz VLFDZVWUPQCRRJ-HIFRSBDPSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC001335487188 959837512 /nfs/dbraw/zinc/83/75/12/959837512.db2.gz VLFDZVWUPQCRRJ-HIFRSBDPSA-N 1 1 277.368 1.763 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cnn1C ZINC001337584621 961290795 /nfs/dbraw/zinc/29/07/95/961290795.db2.gz CTXDGMSLOWXNGM-SECBINFHSA-N 1 1 275.312 1.883 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](CCO)C(C)(C)C1 ZINC001346096497 964926718 /nfs/dbraw/zinc/92/67/18/964926718.db2.gz GFRSMAISPALWDM-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC001346096497 964926725 /nfs/dbraw/zinc/92/67/25/964926725.db2.gz GFRSMAISPALWDM-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346314362 965041038 /nfs/dbraw/zinc/04/10/38/965041038.db2.gz YUXUYXQDAAYTJO-KFWWJZLASA-N 1 1 293.367 1.701 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001353286964 967861421 /nfs/dbraw/zinc/86/14/21/967861421.db2.gz FFHYTZAORJJBGK-SNVBAGLBSA-N 1 1 278.230 1.303 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006259 342458569 /nfs/dbraw/zinc/45/85/69/342458569.db2.gz SVSSGNGOKRKDFI-SECBINFHSA-N 1 1 281.287 1.415 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](CO)C3)c2c1 ZINC000601120757 342471212 /nfs/dbraw/zinc/47/12/12/342471212.db2.gz KYAIBPWQLVNQCE-JTQLQIEISA-N 1 1 273.292 1.962 20 5 CDBDMO CN(CCOCCO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601162771 342484581 /nfs/dbraw/zinc/48/45/81/342484581.db2.gz XBXRHGHZMAVVJV-UHFFFAOYSA-N 1 1 291.307 1.588 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000590146275 342522986 /nfs/dbraw/zinc/52/29/86/342522986.db2.gz IZLXWWNGUOGCPJ-AOOOYVTPSA-N 1 1 281.360 1.648 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000601290774 342549556 /nfs/dbraw/zinc/54/95/56/342549556.db2.gz CIUBTJCQIYZTPW-AXTRIDKLSA-N 1 1 282.296 1.014 20 5 CDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533489830 282125303 /nfs/dbraw/zinc/12/53/03/282125303.db2.gz OIKDTSVEDWZDOM-UHFFFAOYSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000591152886 342619869 /nfs/dbraw/zinc/61/98/69/342619869.db2.gz UVOYAXMFIHTEHM-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000591152886 342619870 /nfs/dbraw/zinc/61/98/70/342619870.db2.gz UVOYAXMFIHTEHM-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108802 342769271 /nfs/dbraw/zinc/76/92/71/342769271.db2.gz CMQOSDPQERMYDK-DGCLKSJQSA-N 1 1 298.339 1.037 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609666 361883686 /nfs/dbraw/zinc/88/36/86/361883686.db2.gz QKHPVCZXMSGPSH-ZJUUUORDSA-N 1 1 278.312 1.280 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593415549 342799303 /nfs/dbraw/zinc/79/93/03/342799303.db2.gz OHLKIQMSIRQZBD-SNVBAGLBSA-N 1 1 295.314 1.344 20 5 CDBDMO CC[C@@H](C(N)=O)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285396905 342205914 /nfs/dbraw/zinc/20/59/14/342205914.db2.gz SXIJHNBGQROTSA-NSHDSACASA-N 1 1 265.313 1.333 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000588823560 342222377 /nfs/dbraw/zinc/22/23/77/342222377.db2.gz CPOZATYEGLBASM-MWLCHTKSSA-N 1 1 297.359 1.251 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000588823560 342222378 /nfs/dbraw/zinc/22/23/78/342222378.db2.gz CPOZATYEGLBASM-MWLCHTKSSA-N 1 1 297.359 1.251 20 5 CDBDMO CC[N@H+]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595308836 343032184 /nfs/dbraw/zinc/03/21/84/343032184.db2.gz MMWOAPHYLXZUIK-UHFFFAOYSA-N 1 1 268.317 1.419 20 5 CDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386621 343052425 /nfs/dbraw/zinc/05/24/25/343052425.db2.gz IXYWVYKLXZMMSF-SECBINFHSA-N 1 1 283.284 1.419 20 5 CDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386621 343052426 /nfs/dbraw/zinc/05/24/26/343052426.db2.gz IXYWVYKLXZMMSF-SECBINFHSA-N 1 1 283.284 1.419 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595549925 343085296 /nfs/dbraw/zinc/08/52/96/343085296.db2.gz GAABKKYCSVNZAE-WPRPVWTQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595549925 343085298 /nfs/dbraw/zinc/08/52/98/343085298.db2.gz GAABKKYCSVNZAE-WPRPVWTQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1c(C[N@@H+](C)C[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595741335 343136373 /nfs/dbraw/zinc/13/63/73/343136373.db2.gz MQEXKXZLFDQTJO-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595786668 343156081 /nfs/dbraw/zinc/15/60/81/343156081.db2.gz VQFHRWPXJUVQQV-UHFFFAOYSA-N 1 1 263.297 1.259 20 5 CDBDMO CN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595786668 343156083 /nfs/dbraw/zinc/15/60/83/343156083.db2.gz VQFHRWPXJUVQQV-UHFFFAOYSA-N 1 1 263.297 1.259 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000081516481 342371652 /nfs/dbraw/zinc/37/16/52/342371652.db2.gz ABCQWKHMGWJEQH-LBPRGKRZSA-N 1 1 295.387 1.492 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242664 343285036 /nfs/dbraw/zinc/28/50/36/343285036.db2.gz UGKJEBITZIPVNX-CYBMUJFWSA-N 1 1 278.312 1.227 20 5 CDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000596251652 343274800 /nfs/dbraw/zinc/27/48/00/343274800.db2.gz UURVLAJBGPULGV-UHFFFAOYSA-N 1 1 291.355 1.840 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599670575 344126086 /nfs/dbraw/zinc/12/60/86/344126086.db2.gz HDJWFVFCFMIHNA-PHIMTYICSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000602046228 344324705 /nfs/dbraw/zinc/32/47/05/344324705.db2.gz JMRJNVGELUKRGA-SECBINFHSA-N 1 1 263.297 1.434 20 5 CDBDMO O=C([C@H]1CSC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604173 362444148 /nfs/dbraw/zinc/44/41/48/362444148.db2.gz HQFCDUWQZKXNOW-GFCCVEGCSA-N 1 1 293.348 1.142 20 5 CDBDMO CC[C@]1(C)COCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795774 344586505 /nfs/dbraw/zinc/58/65/05/344586505.db2.gz CDWSVZKEPDONSX-CYBMUJFWSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@]1(C)COCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795774 344586506 /nfs/dbraw/zinc/58/65/06/344586506.db2.gz CDWSVZKEPDONSX-CYBMUJFWSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@@]1(CO)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810947 344603013 /nfs/dbraw/zinc/60/30/13/344603013.db2.gz JPSYWEDCFLACAQ-CQSZACIVSA-N 1 1 296.371 1.584 20 5 CDBDMO Cc1c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265632628 362488713 /nfs/dbraw/zinc/48/87/13/362488713.db2.gz GKBGKZVFRDDZDB-CYBMUJFWSA-N 1 1 277.324 1.566 20 5 CDBDMO Cc1c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000265632628 362488718 /nfs/dbraw/zinc/48/87/18/362488718.db2.gz GKBGKZVFRDDZDB-CYBMUJFWSA-N 1 1 277.324 1.566 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1=CCSC1 ZINC000602904004 344655796 /nfs/dbraw/zinc/65/57/96/344655796.db2.gz HFURZLAKADKUND-UHFFFAOYSA-N 1 1 282.369 1.705 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1CO ZINC000052617027 345298172 /nfs/dbraw/zinc/29/81/72/345298172.db2.gz GWUQVHDWMQKDCY-LBPRGKRZSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000057721693 347088254 /nfs/dbraw/zinc/08/82/54/347088254.db2.gz WZYNNOZNGIYYHQ-MRVPVSSYSA-N 1 1 283.353 1.869 20 5 CDBDMO CCC(CC)[N@@H+](CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000176228788 535049607 /nfs/dbraw/zinc/04/96/07/535049607.db2.gz VARNHRHUZOFPRS-UHFFFAOYSA-N 1 1 284.360 1.928 20 5 CDBDMO COCC1([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000611178504 346629745 /nfs/dbraw/zinc/62/97/45/346629745.db2.gz FBZCIHMTNXNZEP-UHFFFAOYSA-N 1 1 293.323 1.305 20 5 CDBDMO COCC1([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000611178504 346629748 /nfs/dbraw/zinc/62/97/48/346629748.db2.gz FBZCIHMTNXNZEP-UHFFFAOYSA-N 1 1 293.323 1.305 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611272169 346732109 /nfs/dbraw/zinc/73/21/09/346732109.db2.gz SDLQRJGAGPWTPY-NSHDSACASA-N 1 1 294.307 1.587 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611272169 346732113 /nfs/dbraw/zinc/73/21/13/346732113.db2.gz SDLQRJGAGPWTPY-NSHDSACASA-N 1 1 294.307 1.587 20 5 CDBDMO C[NH+](C)C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000273405970 192140050 /nfs/dbraw/zinc/14/00/50/192140050.db2.gz HCCLIZMDCFQBHP-UHFFFAOYSA-N 1 1 281.312 1.370 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000072672844 349128293 /nfs/dbraw/zinc/12/82/93/349128293.db2.gz BFONKFXKKHJZAY-LBPRGKRZSA-N 1 1 294.355 1.759 20 5 CDBDMO CC[C@@H](CSC)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091099888 180097975 /nfs/dbraw/zinc/09/79/75/180097975.db2.gz CHQBVBBDXFMMRA-JTQLQIEISA-N 1 1 272.374 1.865 20 5 CDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271664023 191266270 /nfs/dbraw/zinc/26/62/70/191266270.db2.gz YVBQFUYNOKDTCA-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279800173 363303143 /nfs/dbraw/zinc/30/31/43/363303143.db2.gz PATWKVBZNMUAAR-ZDUSSCGKSA-N 1 1 264.325 1.840 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)nc2c1 ZINC000366415574 363348324 /nfs/dbraw/zinc/34/83/24/363348324.db2.gz KGYCWABTPAPOLO-URLYPYJESA-N 1 1 289.291 1.406 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)nc2c1 ZINC000366415574 363348331 /nfs/dbraw/zinc/34/83/31/363348331.db2.gz KGYCWABTPAPOLO-URLYPYJESA-N 1 1 289.291 1.406 20 5 CDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286501280 291067877 /nfs/dbraw/zinc/06/78/77/291067877.db2.gz YFNTVFFKSWRBLS-SWLSCSKDSA-N 1 1 291.351 1.894 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000286315132 356251455 /nfs/dbraw/zinc/25/14/55/356251455.db2.gz FEKCWYQTADKCEG-UHFFFAOYSA-N 1 1 278.268 1.043 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1OCc1noc(C[NH3+])n1 ZINC000379694557 357216234 /nfs/dbraw/zinc/21/62/34/357216234.db2.gz SNELANCUNAMZKR-UHFFFAOYSA-N 1 1 280.240 1.024 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331329630 357440628 /nfs/dbraw/zinc/44/06/28/357440628.db2.gz HBUNTWBKUNVHOS-TXEJJXNPSA-N 1 1 281.360 1.206 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)CO ZINC000282861631 357479034 /nfs/dbraw/zinc/47/90/34/357479034.db2.gz TUSLDFASDKOEIE-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000408085703 357817665 /nfs/dbraw/zinc/81/76/65/357817665.db2.gz CCGYJKPEQBABNO-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000408085703 357817669 /nfs/dbraw/zinc/81/76/69/357817669.db2.gz CCGYJKPEQBABNO-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCOCCO ZINC000337422060 358033346 /nfs/dbraw/zinc/03/33/46/358033346.db2.gz BOADIYGPTLMSQE-LBPRGKRZSA-N 1 1 282.340 1.905 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000361357650 358165852 /nfs/dbraw/zinc/16/58/52/358165852.db2.gz SZZPPKNOWDXMHR-CYBMUJFWSA-N 1 1 266.297 1.694 20 5 CDBDMO CN1CCO[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332219439 358287690 /nfs/dbraw/zinc/28/76/90/358287690.db2.gz ISUPFCTYLUZERA-ZIAGYGMSSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000332219439 358287694 /nfs/dbraw/zinc/28/76/94/358287694.db2.gz ISUPFCTYLUZERA-ZIAGYGMSSA-N 1 1 277.324 1.110 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106882171 359010031 /nfs/dbraw/zinc/01/00/31/359010031.db2.gz SUQBJWGPHCFDQN-LLVKDONJSA-N 1 1 266.297 1.694 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339671971 359426173 /nfs/dbraw/zinc/42/61/73/359426173.db2.gz KNGHZMTVAFWYGG-GFCCVEGCSA-N 1 1 264.329 1.913 20 5 CDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C ZINC000049963594 359530340 /nfs/dbraw/zinc/53/03/40/359530340.db2.gz YGJRYGMXBWDBQX-QMMMGPOBSA-N 1 1 285.731 1.815 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297131271 200093626 /nfs/dbraw/zinc/09/36/26/200093626.db2.gz HPWGKZUKVBATBF-NSHDSACASA-N 1 1 294.355 1.907 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467029 200201383 /nfs/dbraw/zinc/20/13/83/200201383.db2.gz KMDOSUJSFQDLAN-NSHDSACASA-N 1 1 279.344 1.614 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000572154362 359934849 /nfs/dbraw/zinc/93/48/49/359934849.db2.gz QVKOMYUNXZGKNO-LLVKDONJSA-N 1 1 280.328 1.435 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000572154362 359934857 /nfs/dbraw/zinc/93/48/57/359934857.db2.gz QVKOMYUNXZGKNO-LLVKDONJSA-N 1 1 280.328 1.435 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1C ZINC000342739028 360055158 /nfs/dbraw/zinc/05/51/58/360055158.db2.gz OFDZXKREGCLQBT-MWLCHTKSSA-N 1 1 268.317 1.185 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1C ZINC000342739028 360055161 /nfs/dbraw/zinc/05/51/61/360055161.db2.gz OFDZXKREGCLQBT-MWLCHTKSSA-N 1 1 268.317 1.185 20 5 CDBDMO C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822741 360234461 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Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527516 364141041 /nfs/dbraw/zinc/14/10/41/364141041.db2.gz BWMBEOOBFXOPNO-WPRPVWTQSA-N 1 1 265.317 1.588 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000171127715 376190123 /nfs/dbraw/zinc/19/01/23/376190123.db2.gz GESYKKVZCQNDFN-UHFFFAOYSA-N 1 1 295.339 1.211 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1O ZINC000270822784 366935193 /nfs/dbraw/zinc/93/51/93/366935193.db2.gz BLBVUJNPLWMOHR-DGCLKSJQSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1[nH+]ccn1CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000271188848 366982039 /nfs/dbraw/zinc/98/20/39/366982039.db2.gz NSWUSDNNOVGSJY-UHFFFAOYSA-N 1 1 282.687 1.615 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000348631925 367591023 /nfs/dbraw/zinc/59/10/23/367591023.db2.gz GKLBVUOIGOOYSD-HXINVUTJSA-N 1 1 278.308 1.300 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(Cl)c1 ZINC000367821836 370921773 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COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000430207394 393092653 /nfs/dbraw/zinc/09/26/53/393092653.db2.gz ZJUROSLMYFDPFI-NSHDSACASA-N 1 1 280.324 1.808 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000430221498 393092801 /nfs/dbraw/zinc/09/28/01/393092801.db2.gz RHBIOKJIPQNTBX-GHMZBOCLSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H](C)O ZINC000430223103 393094924 /nfs/dbraw/zinc/09/49/24/393094924.db2.gz XFPUEJLREPETQH-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO [NH3+]C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430959399 393107721 /nfs/dbraw/zinc/10/77/21/393107721.db2.gz YYRBRFJXXHSKLA-LLVKDONJSA-N 1 1 265.313 1.254 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000252667019 140320798 /nfs/dbraw/zinc/32/07/98/140320798.db2.gz FNFYPADALJCYQX-RYUDHWBXSA-N 1 1 278.312 1.265 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352425668 155181082 /nfs/dbraw/zinc/18/10/82/155181082.db2.gz MNCVGIVMVWGVHQ-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO C[C@H](C(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184732132 148368156 /nfs/dbraw/zinc/36/81/56/148368156.db2.gz FQHQOYPFVWCYOJ-JTQLQIEISA-N 1 1 295.314 1.611 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249027 152084778 /nfs/dbraw/zinc/08/47/78/152084778.db2.gz BWWYAJCXDCBNJH-VHSXEESVSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362098571 159071654 /nfs/dbraw/zinc/07/16/54/159071654.db2.gz QTUNZEVQNFGVEQ-WDEREUQCSA-N 1 1 293.323 1.094 20 5 CDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362098571 159071656 /nfs/dbraw/zinc/07/16/56/159071656.db2.gz QTUNZEVQNFGVEQ-WDEREUQCSA-N 1 1 293.323 1.094 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912245 160326350 /nfs/dbraw/zinc/32/63/50/160326350.db2.gz NVTHVDTZMUJCMV-RISCZKNCSA-N 1 1 289.335 1.761 20 5 CDBDMO CCOCC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285265555 196236121 /nfs/dbraw/zinc/23/61/21/196236121.db2.gz IFVDFYXHYLSSSY-CQSZACIVSA-N 1 1 296.367 1.857 20 5 CDBDMO [NH3+]CC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000044513829 175189589 /nfs/dbraw/zinc/18/95/89/175189589.db2.gz DAOZYKMJIPULGE-UHFFFAOYSA-N 1 1 267.304 1.905 20 5 CDBDMO CCN(CC)C(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000071952881 176304374 /nfs/dbraw/zinc/30/43/74/176304374.db2.gz QUETYKCDRKKKAB-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CCN(CC)C(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000071952881 176304376 /nfs/dbraw/zinc/30/43/76/176304376.db2.gz QUETYKCDRKKKAB-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460250 274343003 /nfs/dbraw/zinc/34/30/03/274343003.db2.gz DXUXMVRYSZGNMI-KOLCDFICSA-N 1 1 292.339 1.146 20 5 CDBDMO C[C@@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000174868115 278072634 /nfs/dbraw/zinc/07/26/34/278072634.db2.gz ZBIWJGSJGKGXFB-UWVGGRQHSA-N 1 1 270.358 1.617 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000356880195 279102943 /nfs/dbraw/zinc/10/29/43/279102943.db2.gz NVSJGWNMYCLSJT-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000356880195 279102945 /nfs/dbraw/zinc/10/29/45/279102945.db2.gz NVSJGWNMYCLSJT-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000295227704 279166956 /nfs/dbraw/zinc/16/69/56/279166956.db2.gz NNVRXKOUJBWANJ-CYBMUJFWSA-N 1 1 281.287 1.368 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112926392 279333571 /nfs/dbraw/zinc/33/35/71/279333571.db2.gz RGALBTYJUQJDDR-FNORWQNLSA-N 1 1 295.314 1.815 20 5 CDBDMO Cc1c(C(=O)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000020495228 280205033 /nfs/dbraw/zinc/20/50/33/280205033.db2.gz ICUZFEBDRAZLJD-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000181309333 323233048 /nfs/dbraw/zinc/23/30/48/323233048.db2.gz CWENZLAJLBPOLZ-NSHDSACASA-N 1 1 292.257 1.992 20 5 CDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646936 323291586 /nfs/dbraw/zinc/29/15/86/323291586.db2.gz NKOXCTSAIXTTHG-JTQLQIEISA-N 1 1 284.316 1.065 20 5 CDBDMO [NH3+]CC(F)(F)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000580564852 324500944 /nfs/dbraw/zinc/50/09/44/324500944.db2.gz STHXRAABRNOFMP-UHFFFAOYSA-N 1 1 285.250 1.468 20 5 CDBDMO CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049480472 521500208 /nfs/dbraw/zinc/50/02/08/521500208.db2.gz KVQUJUYDVXCGCI-UHFFFAOYSA-N 1 1 251.286 1.536 20 5 CDBDMO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184679526 522353667 /nfs/dbraw/zinc/35/36/67/522353667.db2.gz MOKZNJQBJAMQJN-GFCCVEGCSA-N 1 1 294.311 1.670 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759915 523851248 /nfs/dbraw/zinc/85/12/48/523851248.db2.gz YCIYLWUGUJVYFO-LBPRGKRZSA-N 1 1 278.312 1.811 20 5 CDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NCCF ZINC000337259060 525451000 /nfs/dbraw/zinc/45/10/00/525451000.db2.gz OWYABCCZXNTQSF-QMMMGPOBSA-N 1 1 287.266 1.298 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](C)C1 ZINC000052812385 525576152 /nfs/dbraw/zinc/57/61/52/525576152.db2.gz HRVJDBZPJOVGDW-SNVBAGLBSA-N 1 1 250.302 1.662 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212816 525835983 /nfs/dbraw/zinc/83/59/83/525835983.db2.gz SXGURKCDJVPVLM-NWDGAFQWSA-N 1 1 280.324 1.676 20 5 CDBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC1 ZINC000049963414 526883301 /nfs/dbraw/zinc/88/33/01/526883301.db2.gz DVARURSYTGQHCU-UHFFFAOYSA-N 1 1 283.715 1.616 20 5 CDBDMO CC(C)[N@H+]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000727823090 574599741 /nfs/dbraw/zinc/59/97/41/574599741.db2.gz AHOIBMRESOLOBQ-UHFFFAOYSA-N 1 1 267.333 1.165 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCCO)cc1Cl ZINC000761511774 576580307 /nfs/dbraw/zinc/58/03/07/576580307.db2.gz PFEOMXJLPFXKTP-UHFFFAOYSA-N 1 1 288.731 1.425 20 5 CDBDMO Cc1nn(C)c(NCC[N@@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742425170 576602094 /nfs/dbraw/zinc/60/20/94/576602094.db2.gz LDBMMQSJVOADBC-VIFPVBQESA-N 1 1 267.333 1.533 20 5 CDBDMO CC[N@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000754080269 576878541 /nfs/dbraw/zinc/87/85/41/576878541.db2.gz SHDSDVJMTLGTOB-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000749695228 576958235 /nfs/dbraw/zinc/95/82/35/576958235.db2.gz YSVAGRPIBPNONN-FZMZJTMJSA-N 1 1 279.340 1.264 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000750038211 576972859 /nfs/dbraw/zinc/97/28/59/576972859.db2.gz AEFVTHACGLIVIH-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000891845952 617641847 /nfs/dbraw/zinc/64/18/47/617641847.db2.gz GYHDLVZRTCDRRA-NXEZZACHSA-N 1 1 265.317 1.367 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582441 617682187 /nfs/dbraw/zinc/68/21/87/617682187.db2.gz UMZJPHJTEPYBDZ-CYBMUJFWSA-N 1 1 296.323 1.513 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591223 617689456 /nfs/dbraw/zinc/68/94/56/617689456.db2.gz HTZOENVAZMZTLF-OLZOCXBDSA-N 1 1 266.297 1.349 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000893573105 618145266 /nfs/dbraw/zinc/14/52/66/618145266.db2.gz WQQALRGOWAZLEC-NSHDSACASA-N 1 1 281.360 1.861 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000893940746 618203471 /nfs/dbraw/zinc/20/34/71/618203471.db2.gz PPKLKTYMIFCJSU-HZMBPMFUSA-N 1 1 299.334 1.678 20 5 CDBDMO Cc1cnc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941785 618206227 /nfs/dbraw/zinc/20/62/27/618206227.db2.gz WJLWHXJKOVEHGG-ZYHUDNBSSA-N 1 1 262.313 1.439 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000929198977 632842510 /nfs/dbraw/zinc/84/25/10/632842510.db2.gz MBQOXVOJYDUIEF-AWEZNQCLSA-N 1 1 264.325 1.709 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329768 1162338482 /nfs/dbraw/zinc/33/84/82/1162338482.db2.gz UCAOFXHAQCPGSH-DMDPSCGWSA-N 1 1 294.351 1.990 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+](C)C2COC2)c([N+](=O)[O-])c1 ZINC001170348031 1162348589 /nfs/dbraw/zinc/34/85/89/1162348589.db2.gz VDAFSVUHYYELRB-SNVBAGLBSA-N 1 1 280.324 1.865 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@@H+](C)C2COC2)c([N+](=O)[O-])c1 ZINC001170348031 1162348592 /nfs/dbraw/zinc/34/85/92/1162348592.db2.gz VDAFSVUHYYELRB-SNVBAGLBSA-N 1 1 280.324 1.865 20 5 CDBDMO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001156591732 1162026632 /nfs/dbraw/zinc/02/66/32/1162026632.db2.gz YGDPBZUVINVLAF-GFCCVEGCSA-N 1 1 291.351 1.973 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000839529670 791197329 /nfs/dbraw/zinc/19/73/29/791197329.db2.gz VBFXISAWFJMJAD-IRCOFANPSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000839529670 791197332 /nfs/dbraw/zinc/19/73/32/791197332.db2.gz VBFXISAWFJMJAD-IRCOFANPSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000839529670 791197337 /nfs/dbraw/zinc/19/73/37/791197337.db2.gz VBFXISAWFJMJAD-IRCOFANPSA-N 1 1 269.345 1.031 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000886838348 790878930 /nfs/dbraw/zinc/87/89/30/790878930.db2.gz VUEVQDGAJZCEOG-CYBMUJFWSA-N 1 1 290.367 1.811 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000929995481 790884940 /nfs/dbraw/zinc/88/49/40/790884940.db2.gz RDIVHFXQLFIYEM-CYBMUJFWSA-N 1 1 260.297 1.491 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000930528490 791018744 /nfs/dbraw/zinc/01/87/44/791018744.db2.gz KHWNGTOAGFRMKL-UHFFFAOYSA-N 1 1 285.731 1.855 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783741388 790024987 /nfs/dbraw/zinc/02/49/87/790024987.db2.gz LXJHHOURLODFBJ-GXTWGEPZSA-N 1 1 262.309 1.717 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000832783333 790081190 /nfs/dbraw/zinc/08/11/90/790081190.db2.gz QCJGMHNVAQHELX-DOMZBBRYSA-N 1 1 294.351 1.723 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346079 791164648 /nfs/dbraw/zinc/16/46/48/791164648.db2.gz AEQSMHMUTQUEIT-TUAOUCFPSA-N 1 1 278.308 1.286 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229522245 791344134 /nfs/dbraw/zinc/34/41/34/791344134.db2.gz JUERSQKOUWUBAH-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCN2CCn3cc[nH+]c32)cc1 ZINC000931526050 791559023 /nfs/dbraw/zinc/55/90/23/791559023.db2.gz LEAULNPGLCFLBX-UHFFFAOYSA-N 1 1 274.280 1.690 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712324557 791870158 /nfs/dbraw/zinc/87/01/58/791870158.db2.gz YUISFENWJMNRDE-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000712324557 791870164 /nfs/dbraw/zinc/87/01/64/791870164.db2.gz YUISFENWJMNRDE-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000930092511 791931932 /nfs/dbraw/zinc/93/19/32/791931932.db2.gz ALZXNZXJZSFULZ-LBPRGKRZSA-N 1 1 274.324 1.777 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618777 792434331 /nfs/dbraw/zinc/43/43/31/792434331.db2.gz RZIMVPMCMAMLIT-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618777 792434355 /nfs/dbraw/zinc/43/43/55/792434355.db2.gz RZIMVPMCMAMLIT-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000847257753 792802985 /nfs/dbraw/zinc/80/29/85/792802985.db2.gz ZBICPNLGXSOHMV-QWHCGFSZSA-N 1 1 297.399 1.955 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000882486750 792816728 /nfs/dbraw/zinc/81/67/28/792816728.db2.gz VYRBVPUQVYWKHS-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CNC(=O)C1 ZINC000851821416 792864242 /nfs/dbraw/zinc/86/42/42/792864242.db2.gz VPQSNDCKPQADCS-SECBINFHSA-N 1 1 297.742 1.816 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865527795 792900864 /nfs/dbraw/zinc/90/08/64/792900864.db2.gz LLZSCEFLUNDZCV-SNVBAGLBSA-N 1 1 297.330 1.980 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1(CO)CC1 ZINC000886160444 793119100 /nfs/dbraw/zinc/11/91/00/793119100.db2.gz UHNBRWGGIRQDGD-UHFFFAOYSA-N 1 1 251.286 1.194 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1(CO)CC1 ZINC000886160444 793119107 /nfs/dbraw/zinc/11/91/07/793119107.db2.gz UHNBRWGGIRQDGD-UHFFFAOYSA-N 1 1 251.286 1.194 20 5 CDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000830135378 793228348 /nfs/dbraw/zinc/22/83/48/793228348.db2.gz NORZMBFJBPNKBZ-SNVBAGLBSA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000830135378 793228362 /nfs/dbraw/zinc/22/83/62/793228362.db2.gz NORZMBFJBPNKBZ-SNVBAGLBSA-N 1 1 295.364 1.751 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582227 793321378 /nfs/dbraw/zinc/32/13/78/793321378.db2.gz MQTBNZMVRAEEBA-OLZOCXBDSA-N 1 1 266.297 1.349 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535742 793438467 /nfs/dbraw/zinc/43/84/67/793438467.db2.gz ZJECXRDCRVGVDN-NILFDRSVSA-N 1 1 294.351 1.985 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585687 793783225 /nfs/dbraw/zinc/78/32/25/793783225.db2.gz ZHVINZUFIYRWFU-GXTWGEPZSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585687 793783264 /nfs/dbraw/zinc/78/32/64/793783264.db2.gz ZHVINZUFIYRWFU-GXTWGEPZSA-N 1 1 280.324 1.739 20 5 CDBDMO O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789245 793841068 /nfs/dbraw/zinc/84/10/68/793841068.db2.gz SUQHQQBNFVNMFM-CHWSQXEVSA-N 1 1 281.356 1.032 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825863156 794037285 /nfs/dbraw/zinc/03/72/85/794037285.db2.gz MQGKXSMHUDRLFF-GFCCVEGCSA-N 1 1 285.388 1.622 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000791052739 794076464 /nfs/dbraw/zinc/07/64/64/794076464.db2.gz BHUQHPUTUVRMJT-NSHDSACASA-N 1 1 266.297 1.425 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000791052739 794076475 /nfs/dbraw/zinc/07/64/75/794076475.db2.gz BHUQHPUTUVRMJT-NSHDSACASA-N 1 1 266.297 1.425 20 5 CDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318014 794080861 /nfs/dbraw/zinc/08/08/61/794080861.db2.gz HJQFXTZFWUTMTF-VXGBXAGGSA-N 1 1 281.312 1.226 20 5 CDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318014 794080866 /nfs/dbraw/zinc/08/08/66/794080866.db2.gz HJQFXTZFWUTMTF-VXGBXAGGSA-N 1 1 281.312 1.226 20 5 CDBDMO C[N@H+](Cc1cn[nH]c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592118 794329231 /nfs/dbraw/zinc/32/92/31/794329231.db2.gz SYYWKHVIDFAVKU-ZDUSSCGKSA-N 1 1 276.296 1.483 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959741 794509017 /nfs/dbraw/zinc/50/90/17/794509017.db2.gz OPZXDBULAKCNMA-LLVKDONJSA-N 1 1 293.323 1.888 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881931014 794717504 /nfs/dbraw/zinc/71/75/04/794717504.db2.gz RPMBKEBXEVTOFE-UHFFFAOYSA-N 1 1 298.318 1.287 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882479762 794757846 /nfs/dbraw/zinc/75/78/46/794757846.db2.gz FGZKFRZUDGZSBN-LBPRGKRZSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](C[NH+](C)C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000168890598 794886909 /nfs/dbraw/zinc/88/69/09/794886909.db2.gz REDRSMCTCIXXFB-GWCFXTLKSA-N 1 1 267.329 1.168 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000842622462 794951156 /nfs/dbraw/zinc/95/11/56/794951156.db2.gz PAEYGLYFQCRYNI-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000842622462 794951160 /nfs/dbraw/zinc/95/11/60/794951160.db2.gz PAEYGLYFQCRYNI-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054131693 795054741 /nfs/dbraw/zinc/05/47/41/795054741.db2.gz YWESJRWCRIMTAK-UHFFFAOYSA-N 1 1 283.303 1.804 20 5 CDBDMO CC[C@H]([NH3+])c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843223923 795065101 /nfs/dbraw/zinc/06/51/01/795065101.db2.gz XNBXEEOPMDZUOX-JTQLQIEISA-N 1 1 292.295 1.987 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037647003 795139128 /nfs/dbraw/zinc/13/91/28/795139128.db2.gz QJBDQGOXXFLVNA-VIFPVBQESA-N 1 1 281.287 1.415 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)n1 ZINC000886830306 795907526 /nfs/dbraw/zinc/90/75/26/795907526.db2.gz OQMGBGOBAWQPBL-VXGBXAGGSA-N 1 1 280.328 1.292 20 5 CDBDMO C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000133945284 796015440 /nfs/dbraw/zinc/01/54/40/796015440.db2.gz IEJHBJQYUIBDQQ-YPMHNXCESA-N 1 1 279.340 1.451 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CO)C1 ZINC001173223515 912308758 /nfs/dbraw/zinc/30/87/58/912308758.db2.gz APXUHPGDKYRTDP-FZMZJTMJSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CO)C1 ZINC001173223515 912308779 /nfs/dbraw/zinc/30/87/79/912308779.db2.gz APXUHPGDKYRTDP-FZMZJTMJSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](F)C[C@H]1CO ZINC001173229962 912325623 /nfs/dbraw/zinc/32/56/23/912325623.db2.gz WNLIKMRBEOZUIN-QKCSRTOESA-N 1 1 282.315 1.931 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229452370 908159343 /nfs/dbraw/zinc/15/93/43/908159343.db2.gz RGPFHMHCGIVNAY-NSHDSACASA-N 1 1 281.312 1.480 20 5 CDBDMO CC(C)[NH+]1CC(Nc2cnc(F)c([N+](=O)[O-])c2)C1 ZINC001168314476 908984925 /nfs/dbraw/zinc/98/49/25/908984925.db2.gz OBIGYVRXMNRMBY-UHFFFAOYSA-N 1 1 254.265 1.633 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001231259097 925685540 /nfs/dbraw/zinc/68/55/40/925685540.db2.gz FVZHJPOPZVSJBT-SNVBAGLBSA-N 1 1 281.312 1.865 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC001231259097 925685548 /nfs/dbraw/zinc/68/55/48/925685548.db2.gz FVZHJPOPZVSJBT-SNVBAGLBSA-N 1 1 281.312 1.865 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978344 927565746 /nfs/dbraw/zinc/56/57/46/927565746.db2.gz RFJIARQKNWRUEU-RVMXOQNASA-N 1 1 286.372 1.999 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978343 927566081 /nfs/dbraw/zinc/56/60/81/927566081.db2.gz RFJIARQKNWRUEU-RNJOBUHISA-N 1 1 286.372 1.999 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](CO)C2)C1 ZINC001169005776 927608036 /nfs/dbraw/zinc/60/80/36/927608036.db2.gz DALRJLIGSBKSHK-GMTAPVOTSA-N 1 1 278.299 1.381 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(C3COC3)CC2)C1 ZINC001169006782 927610751 /nfs/dbraw/zinc/61/07/51/927610751.db2.gz YXFJROABDPBEPV-KGLIPLIRSA-N 1 1 297.399 1.132 20 5 CDBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011268 927617730 /nfs/dbraw/zinc/61/77/30/927617730.db2.gz JBZIKYRYVTYJLY-FDYHWXHSSA-N 1 1 256.346 1.667 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013972 927620204 /nfs/dbraw/zinc/62/02/04/927620204.db2.gz XAXMGDFGWLFTKI-NDBYEHHHSA-N 1 1 254.330 1.543 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036063 927645254 /nfs/dbraw/zinc/64/52/54/927645254.db2.gz FFGOVBHBFLDOEO-QTJJRWQNSA-N 1 1 266.341 1.541 20 5 CDBDMO COC(=O)C[N@@H+](C1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039309 927649696 /nfs/dbraw/zinc/64/96/96/927649696.db2.gz PMECEFRTQXNBAN-WCQYABFASA-N 1 1 284.356 1.849 20 5 CDBDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038315 927651501 /nfs/dbraw/zinc/65/15/01/927651501.db2.gz YAGNFTJTOOZEMA-UMSGYPCISA-N 1 1 284.356 1.563 20 5 CDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169017526 927657361 /nfs/dbraw/zinc/65/73/61/927657361.db2.gz AIKQHDHJJDXFOD-LOWDOPEQSA-N 1 1 255.362 1.456 20 5 CDBDMO C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019057 927660129 /nfs/dbraw/zinc/66/01/29/927660129.db2.gz GNQJTLZKSCWAPS-CRWXNKLISA-N 1 1 267.373 1.315 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019057 927660133 /nfs/dbraw/zinc/66/01/33/927660133.db2.gz GNQJTLZKSCWAPS-CRWXNKLISA-N 1 1 267.373 1.315 20 5 CDBDMO COCC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021919 927663012 /nfs/dbraw/zinc/66/30/12/927663012.db2.gz BCIGBRXJGHZQQY-UKRRQHHQSA-N 1 1 299.415 1.474 20 5 CDBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024342 927664332 /nfs/dbraw/zinc/66/43/32/927664332.db2.gz GLKDBPMTQWDTSI-LSGALXMHSA-N 1 1 284.356 1.310 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026564 927665098 /nfs/dbraw/zinc/66/50/98/927665098.db2.gz MTCYMIFCRKFXBJ-OLZOCXBDSA-N 1 1 268.357 1.934 20 5 CDBDMO O=c1[nH]ccc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169047427 927666894 /nfs/dbraw/zinc/66/68/94/927666894.db2.gz QYNWVVXVAMLBKS-CMPLNLGQSA-N 1 1 277.324 1.591 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047038 927666959 /nfs/dbraw/zinc/66/69/59/927666959.db2.gz QEPUSMLXMARTKI-MNOVXSKESA-N 1 1 258.318 1.317 20 5 CDBDMO CCC[N@@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113712 927953847 /nfs/dbraw/zinc/95/38/47/927953847.db2.gz KGLMSIWXGBWPJE-ZFWWWQNUSA-N 1 1 293.367 1.702 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000853113712 927953856 /nfs/dbraw/zinc/95/38/56/927953856.db2.gz KGLMSIWXGBWPJE-ZFWWWQNUSA-N 1 1 293.367 1.702 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000129193316 929889933 /nfs/dbraw/zinc/88/99/33/929889933.db2.gz BLAVCNOPPHACSK-YPMHNXCESA-N 1 1 279.344 1.165 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170863802 930517930 /nfs/dbraw/zinc/51/79/30/930517930.db2.gz FDSMXLGLHFSJGS-VIFPVBQESA-N 1 1 260.681 1.112 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001170898795 930696215 /nfs/dbraw/zinc/69/62/15/930696215.db2.gz WHSJPJLKIOREAJ-GFCCVEGCSA-N 1 1 293.302 1.718 20 5 CDBDMO COc1cc([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])cc1F ZINC001170899360 930698518 /nfs/dbraw/zinc/69/85/18/930698518.db2.gz JNJNSDRCONLEBA-NSHDSACASA-N 1 1 272.280 1.178 20 5 CDBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967725 930779335 /nfs/dbraw/zinc/77/93/35/930779335.db2.gz XEMLCSHPEWUWLY-GFCCVEGCSA-N 1 1 292.339 1.338 20 5 CDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967725 930779340 /nfs/dbraw/zinc/77/93/40/930779340.db2.gz XEMLCSHPEWUWLY-GFCCVEGCSA-N 1 1 292.339 1.338 20 5 CDBDMO COC[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000930968223 933485542 /nfs/dbraw/zinc/48/55/42/933485542.db2.gz BSOLFOJDOGEJFZ-LBPRGKRZSA-N 1 1 254.286 1.249 20 5 CDBDMO CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C1C[NH+](C)C1 ZINC001157455526 938494632 /nfs/dbraw/zinc/49/46/32/938494632.db2.gz NZENPAKVUFDQON-UHFFFAOYSA-N 1 1 270.720 1.784 20 5 CDBDMO Cc1nc(NC2C[NH+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157529871 938505063 /nfs/dbraw/zinc/50/50/63/938505063.db2.gz OHDJZEBPIAOJRD-UHFFFAOYSA-N 1 1 251.290 1.198 20 5 CDBDMO CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766825 938543068 /nfs/dbraw/zinc/54/30/68/938543068.db2.gz AENHODLSLSSKQX-IJWDBEHRSA-N 1 1 283.372 1.494 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CC[C@@H]3C2)c(F)c1 ZINC001158422689 938621371 /nfs/dbraw/zinc/62/13/71/938621371.db2.gz FHNUWZJXOUPDKW-MRVPVSSYSA-N 1 1 252.249 1.023 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CC[C@@H]3C2)c(F)c1 ZINC001158422689 938621372 /nfs/dbraw/zinc/62/13/72/938621372.db2.gz FHNUWZJXOUPDKW-MRVPVSSYSA-N 1 1 252.249 1.023 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001159785747 938753205 /nfs/dbraw/zinc/75/32/05/938753205.db2.gz SKDCXGZSRGOYNT-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO Cc1cnc(N2CCC(F)(F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164317263 939453666 /nfs/dbraw/zinc/45/36/66/939453666.db2.gz QAVGSIXFRKRVAU-VIFPVBQESA-N 1 1 272.255 1.471 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227745735 942218408 /nfs/dbraw/zinc/21/84/08/942218408.db2.gz NQCFZMUOQOOOJU-JTQLQIEISA-N 1 1 276.296 1.944 20 5 CDBDMO O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001230595074 942651010 /nfs/dbraw/zinc/65/10/10/942651010.db2.gz IVTNZVAVMASLLF-AWEZNQCLSA-N 1 1 288.307 1.944 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573767 943619936 /nfs/dbraw/zinc/61/99/36/943619936.db2.gz CALJBQIBMDWNDQ-VIFPVBQESA-N 1 1 281.268 1.976 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001262254402 946549546 /nfs/dbraw/zinc/54/95/46/946549546.db2.gz OFMARYFGXATICN-VIFPVBQESA-N 1 1 292.261 1.816 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC001262254402 946549554 /nfs/dbraw/zinc/54/95/54/946549554.db2.gz OFMARYFGXATICN-VIFPVBQESA-N 1 1 292.261 1.816 20 5 CDBDMO CN(C)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568877 947529550 /nfs/dbraw/zinc/52/95/50/947529550.db2.gz VOPQWDGIUIEUNZ-ZDUSSCGKSA-N 1 1 263.341 1.603 20 5 CDBDMO C[C@]1(O)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592462 947542169 /nfs/dbraw/zinc/54/21/69/947542169.db2.gz DNEOECIJNHLVAX-KGLIPLIRSA-N 1 1 262.309 1.519 20 5 CDBDMO C[N@H+]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596687 947545756 /nfs/dbraw/zinc/54/57/56/947545756.db2.gz FFVQOTOAQRMRBV-HNNXBMFYSA-N 1 1 275.352 1.700 20 5 CDBDMO CN1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596687 947545767 /nfs/dbraw/zinc/54/57/67/947545767.db2.gz FFVQOTOAQRMRBV-HNNXBMFYSA-N 1 1 275.352 1.700 20 5 CDBDMO CN1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596687 947545772 /nfs/dbraw/zinc/54/57/72/947545772.db2.gz FFVQOTOAQRMRBV-HNNXBMFYSA-N 1 1 275.352 1.700 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001254597934 947547292 /nfs/dbraw/zinc/54/72/92/947547292.db2.gz JMLMZPFUKTUSML-MCIONIFRSA-N 1 1 280.299 1.467 20 5 CDBDMO CN1CC2(C1)C[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610184 947555244 /nfs/dbraw/zinc/55/52/44/947555244.db2.gz ICFRCACKPFQNAB-CQSZACIVSA-N 1 1 273.336 1.309 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3nccc3C1)C2 ZINC001254611335 947557102 /nfs/dbraw/zinc/55/71/02/947557102.db2.gz PRDFKJDYRLYXIS-HNNXBMFYSA-N 1 1 284.319 1.774 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3nccc3C1)C2 ZINC001254611335 947557108 /nfs/dbraw/zinc/55/71/08/947557108.db2.gz PRDFKJDYRLYXIS-HNNXBMFYSA-N 1 1 284.319 1.774 20 5 CDBDMO C[N@@H+]1CCC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247971206 948905229 /nfs/dbraw/zinc/90/52/29/948905229.db2.gz ASIIAGMLYFKJHQ-QMMMGPOBSA-N 1 1 293.258 1.946 20 5 CDBDMO C[N@H+]1CCC[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247971206 948905240 /nfs/dbraw/zinc/90/52/40/948905240.db2.gz ASIIAGMLYFKJHQ-QMMMGPOBSA-N 1 1 293.258 1.946 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248124416 948944925 /nfs/dbraw/zinc/94/49/25/948944925.db2.gz GFTMBEWTIJKMLV-ZETCQYMHSA-N 1 1 293.258 1.598 20 5 CDBDMO Cc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001252143187 951158562 /nfs/dbraw/zinc/15/85/62/951158562.db2.gz CQCQEEIRMQGGKW-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001327642992 954974020 /nfs/dbraw/zinc/97/40/20/954974020.db2.gz NHMWVCLTJBWHCJ-JTQLQIEISA-N 1 1 279.344 1.716 20 5 CDBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001332730300 957696755 /nfs/dbraw/zinc/69/67/55/957696755.db2.gz PVIWVNDGTURXFW-MNOVXSKESA-N 1 1 287.360 1.498 20 5 CDBDMO C[C@@H]1CC[N@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492339 961836781 /nfs/dbraw/zinc/83/67/81/961836781.db2.gz SSVMXFMNRFJLJW-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492339 961836800 /nfs/dbraw/zinc/83/68/00/961836800.db2.gz SSVMXFMNRFJLJW-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC[N+](=O)[O-] ZINC001351423970 966933835 /nfs/dbraw/zinc/93/38/35/966933835.db2.gz JBKIZLBARWMPFA-NSHDSACASA-N 1 1 293.323 1.913 20 5 CDBDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC001351423970 966933841 /nfs/dbraw/zinc/93/38/41/966933841.db2.gz JBKIZLBARWMPFA-NSHDSACASA-N 1 1 293.323 1.913 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080678 1171327642 /nfs/dbraw/zinc/32/76/42/1171327642.db2.gz FRUFQKNFTCEFMZ-RISCZKNCSA-N 1 1 295.314 1.729 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190628 342488376 /nfs/dbraw/zinc/48/83/76/342488376.db2.gz ATTPPWLLZPJZDS-SNVBAGLBSA-N 1 1 265.317 1.305 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000601185454 342489274 /nfs/dbraw/zinc/48/92/74/342489274.db2.gz UZDBTPVEEODMAR-NWDGAFQWSA-N 1 1 293.371 1.508 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000618686184 349508928 /nfs/dbraw/zinc/50/89/28/349508928.db2.gz UPYTYVYXUILDEZ-PHIMTYICSA-N 1 1 299.334 1.536 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328689 342554434 /nfs/dbraw/zinc/55/44/34/342554434.db2.gz WFEDZVFOUZBWJH-RISCZKNCSA-N 1 1 277.324 1.532 20 5 CDBDMO O=[N+]([O-])c1sccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000590708005 342585305 /nfs/dbraw/zinc/58/53/05/342585305.db2.gz FMRHUJRNLCGMOY-SNVBAGLBSA-N 1 1 285.369 1.915 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593109028 342769185 /nfs/dbraw/zinc/76/91/85/342769185.db2.gz GLXCQPINLIMHNZ-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188199 342776241 /nfs/dbraw/zinc/77/62/41/342776241.db2.gz YNWFADNVVCWSAV-MXWKQRLJSA-N 1 1 294.355 1.486 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000595293311 343025664 /nfs/dbraw/zinc/02/56/64/343025664.db2.gz JULMOCGUAQWJCG-SNVBAGLBSA-N 1 1 291.311 1.994 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000595293311 343025669 /nfs/dbraw/zinc/02/56/69/343025669.db2.gz JULMOCGUAQWJCG-SNVBAGLBSA-N 1 1 291.311 1.994 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C(C)(C)CO ZINC000619531654 349793174 /nfs/dbraw/zinc/79/31/74/349793174.db2.gz YSUQBYWPSKJQTN-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1[N+](=O)[O-] ZINC000595469538 343072068 /nfs/dbraw/zinc/07/20/68/343072068.db2.gz PUHFHBULZCJPFV-GFCCVEGCSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@](C)(O)CC2)c1[N+](=O)[O-] ZINC000595469538 343072070 /nfs/dbraw/zinc/07/20/70/343072070.db2.gz PUHFHBULZCJPFV-GFCCVEGCSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@](C)(O)CC2)c1[N+](=O)[O-] ZINC000595469539 343072259 /nfs/dbraw/zinc/07/22/59/343072259.db2.gz PUHFHBULZCJPFV-LBPRGKRZSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@](C)(O)CC2)c1[N+](=O)[O-] ZINC000595469539 343072261 /nfs/dbraw/zinc/07/22/61/343072261.db2.gz PUHFHBULZCJPFV-LBPRGKRZSA-N 1 1 269.301 1.628 20 5 CDBDMO CC[C@@H]1OCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595535355 343092282 /nfs/dbraw/zinc/09/22/82/343092282.db2.gz XJIYQKJAWLMTHQ-BDAKNGLRSA-N 1 1 255.274 1.548 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595767521 343146154 /nfs/dbraw/zinc/14/61/54/343146154.db2.gz YIRRKVZDCVEORV-SMDDNHRTSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CCO ZINC000595706019 343127463 /nfs/dbraw/zinc/12/74/63/343127463.db2.gz WPCLWWNECZCVKN-RYUDHWBXSA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c1[N+](=O)[O-] ZINC000595671371 343127815 /nfs/dbraw/zinc/12/78/15/343127815.db2.gz FBFFFOORTGOOEY-MWLCHTKSSA-N 1 1 283.328 1.874 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000081365404 342367609 /nfs/dbraw/zinc/36/76/09/342367609.db2.gz SZYSDQNRDNWBHD-NSHDSACASA-N 1 1 294.355 1.727 20 5 CDBDMO Cc1nn(C)c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000362740076 282271966 /nfs/dbraw/zinc/27/19/66/282271966.db2.gz BKRBYGMILLOBQJ-SNVBAGLBSA-N 1 1 290.327 1.364 20 5 CDBDMO C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000515401157 362310796 /nfs/dbraw/zinc/31/07/96/362310796.db2.gz MTTUSKHDRHQTPB-BXUZGUMPSA-N 1 1 291.351 1.909 20 5 CDBDMO C[C@H](C[S@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602607907 344492052 /nfs/dbraw/zinc/49/20/52/344492052.db2.gz KVVCAPRTPLWBMA-SQFXPLBJSA-N 1 1 297.336 1.593 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000602799337 344590033 /nfs/dbraw/zinc/59/00/33/344590033.db2.gz OGTHDDCEEGFTRW-GFCCVEGCSA-N 1 1 280.328 1.211 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000602799337 344590035 /nfs/dbraw/zinc/59/00/35/344590035.db2.gz OGTHDDCEEGFTRW-GFCCVEGCSA-N 1 1 280.328 1.211 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(O)c1 ZINC000602779821 344595663 /nfs/dbraw/zinc/59/56/63/344595663.db2.gz SCEIIOOPYCJPFA-UHFFFAOYSA-N 1 1 290.323 1.937 20 5 CDBDMO CCOC[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784017 344598276 /nfs/dbraw/zinc/59/82/76/344598276.db2.gz GYAMOIYBPNKNKP-ZDUSSCGKSA-N 1 1 296.371 1.848 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602826722 344612510 /nfs/dbraw/zinc/61/25/10/344612510.db2.gz JILQKQAKNQXPNH-VIFPVBQESA-N 1 1 256.306 1.066 20 5 CDBDMO CCCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159699580 362492958 /nfs/dbraw/zinc/49/29/58/362492958.db2.gz MFSBCTMEJQFNHU-UHFFFAOYSA-N 1 1 253.302 1.488 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000602810898 344602748 /nfs/dbraw/zinc/60/27/48/344602748.db2.gz IMRPCQZNATXJGM-RYUDHWBXSA-N 1 1 264.329 1.974 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293133885 362531896 /nfs/dbraw/zinc/53/18/96/362531896.db2.gz NBJRBJOZYNHTNN-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293239495 362543515 /nfs/dbraw/zinc/54/35/15/362543515.db2.gz SPTJKHBOCAIBLF-LBPRGKRZSA-N 1 1 295.295 1.850 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293239495 362543520 /nfs/dbraw/zinc/54/35/20/362543520.db2.gz SPTJKHBOCAIBLF-LBPRGKRZSA-N 1 1 295.295 1.850 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335771 346255185 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CC[N@H+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169315 153080367 /nfs/dbraw/zinc/08/03/67/153080367.db2.gz QDLYOABGADIPCL-NWDGAFQWSA-N 1 1 281.360 1.206 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352200965 155017867 /nfs/dbraw/zinc/01/78/67/155017867.db2.gz CKUPEXQTIBPWMB-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352223989 155037474 /nfs/dbraw/zinc/03/74/74/155037474.db2.gz YTVOTTDUZNUZKI-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352223989 155037479 /nfs/dbraw/zinc/03/74/79/155037479.db2.gz YTVOTTDUZNUZKI-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000354004992 156218043 /nfs/dbraw/zinc/21/80/43/156218043.db2.gz DJQNNHHKLNTMAR-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354005438 156220527 /nfs/dbraw/zinc/22/05/27/156220527.db2.gz GOOLMBGPGSKPIL-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000362098570 159071382 /nfs/dbraw/zinc/07/13/82/159071382.db2.gz QTUNZEVQNFGVEQ-QWRGUYRKSA-N 1 1 293.323 1.094 20 5 CDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000362098570 159071383 /nfs/dbraw/zinc/07/13/83/159071383.db2.gz QTUNZEVQNFGVEQ-QWRGUYRKSA-N 1 1 293.323 1.094 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3CCC2CC3)c1 ZINC000371387922 160004175 /nfs/dbraw/zinc/00/41/75/160004175.db2.gz KWRVWDPJNCFOMC-UHFFFAOYSA-N 1 1 250.302 1.666 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)nc1 ZINC000371475669 160014578 /nfs/dbraw/zinc/01/45/78/160014578.db2.gz LHEQQTNFLVXQAE-LBPRGKRZSA-N 1 1 262.313 1.664 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1C[NH2+]CCO1)CCC2 ZINC000423543179 275038490 /nfs/dbraw/zinc/03/84/90/275038490.db2.gz BOIFUCFWTUPEJA-UKRRQHHQSA-N 1 1 291.351 1.550 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000091555573 276722230 /nfs/dbraw/zinc/72/22/30/276722230.db2.gz TWSXISDKQRKLKS-UHFFFAOYSA-N 1 1 297.359 1.254 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924149 277256695 /nfs/dbraw/zinc/25/66/95/277256695.db2.gz IGUIILSKDAPSHA-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000356899638 279101615 /nfs/dbraw/zinc/10/16/15/279101615.db2.gz KPIRLEGYNYJLKZ-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000356899638 279101617 /nfs/dbraw/zinc/10/16/17/279101617.db2.gz KPIRLEGYNYJLKZ-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553594 279373986 /nfs/dbraw/zinc/37/39/86/279373986.db2.gz DCSWTTLJUVNIHY-MGNBDDOMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553594 279373988 /nfs/dbraw/zinc/37/39/88/279373988.db2.gz DCSWTTLJUVNIHY-MGNBDDOMSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248956605 280397705 /nfs/dbraw/zinc/39/77/05/280397705.db2.gz QHFLATCZJHHCQY-NEPJUHHUSA-N 1 1 282.340 1.201 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021067 281115039 /nfs/dbraw/zinc/11/50/39/281115039.db2.gz NKKJUPNKUXVSGY-PWSUYJOCSA-N 1 1 294.355 1.346 20 5 CDBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000532716318 282028771 /nfs/dbraw/zinc/02/87/71/282028771.db2.gz JTDPQLUWSKPMJJ-UHFFFAOYSA-N 1 1 283.303 1.690 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152434 290331783 /nfs/dbraw/zinc/33/17/83/290331783.db2.gz VVFUOVIKKQVAAA-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152434 290331785 /nfs/dbraw/zinc/33/17/85/290331785.db2.gz VVFUOVIKKQVAAA-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143461 324377239 /nfs/dbraw/zinc/37/72/39/324377239.db2.gz XIKYARVMXARTEY-NEPJUHHUSA-N 1 1 291.351 1.766 20 5 CDBDMO Cc1nc(Cl)nc(O[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000302677401 1159846789 /nfs/dbraw/zinc/84/67/89/1159846789.db2.gz OGADIRAVIYHIMG-SSDOTTSWSA-N 1 1 272.692 1.430 20 5 CDBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304316610 533825424 /nfs/dbraw/zinc/82/54/24/533825424.db2.gz OQNVLSUAKNMOFG-MBNYWOFBSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049337632 520232357 /nfs/dbraw/zinc/23/23/57/520232357.db2.gz WXBAIAGZMHWLDL-UHFFFAOYSA-N 1 1 266.301 1.668 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068806800 523889589 /nfs/dbraw/zinc/88/95/89/523889589.db2.gz CEBZKFZSHBWEFT-LLVKDONJSA-N 1 1 282.319 1.392 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCCc1[nH+]ccn1C ZINC000052812560 525575898 /nfs/dbraw/zinc/57/58/98/525575898.db2.gz MOTRFDGSMXAAMO-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO CC[N@@H+](CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044427 528562690 /nfs/dbraw/zinc/56/26/90/528562690.db2.gz PQPXWRTZECZTTF-LBPRGKRZSA-N 1 1 298.339 1.303 20 5 CDBDMO CC(C)(O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900291 535299688 /nfs/dbraw/zinc/29/96/88/535299688.db2.gz HPVMEQPMCGSDAT-CQSZACIVSA-N 1 1 294.351 1.864 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000767950664 576241555 /nfs/dbraw/zinc/24/15/55/576241555.db2.gz UCJRJAYVQAJXBT-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000767950664 576241558 /nfs/dbraw/zinc/24/15/58/576241558.db2.gz UCJRJAYVQAJXBT-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782623595 617528159 /nfs/dbraw/zinc/52/81/59/617528159.db2.gz ZGVZMWAZMXJTFK-OCCSQVGLSA-N 1 1 262.309 1.717 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892986171 618021851 /nfs/dbraw/zinc/02/18/51/618021851.db2.gz UHZAMZNARJEIAM-VIFPVBQESA-N 1 1 276.300 1.056 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893845465 618088288 /nfs/dbraw/zinc/08/82/88/618088288.db2.gz XQRHDAULBSOADM-JTQLQIEISA-N 1 1 267.333 1.615 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000893938744 618200088 /nfs/dbraw/zinc/20/00/88/618200088.db2.gz FPEMOMGAONYBII-QWRGUYRKSA-N 1 1 279.344 1.260 20 5 CDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CC2)C1 ZINC000893999659 618241457 /nfs/dbraw/zinc/24/14/57/618241457.db2.gz JODJNWXNKVCWAR-JTQLQIEISA-N 1 1 279.344 1.249 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000894475290 618909196 /nfs/dbraw/zinc/90/91/96/618909196.db2.gz BGQPMGIVOKDXTG-JTQLQIEISA-N 1 1 281.360 1.861 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000895184308 619437421 /nfs/dbraw/zinc/43/74/21/619437421.db2.gz CHOCTMOBAWMZHW-SECBINFHSA-N 1 1 284.312 1.512 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247448 619493320 /nfs/dbraw/zinc/49/33/20/619493320.db2.gz TXLNJQIPTCEPAP-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895247448 619493329 /nfs/dbraw/zinc/49/33/29/619493329.db2.gz TXLNJQIPTCEPAP-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895247448 619493333 /nfs/dbraw/zinc/49/33/33/619493333.db2.gz TXLNJQIPTCEPAP-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000896650831 620182329 /nfs/dbraw/zinc/18/23/29/620182329.db2.gz NFIPEXKJBOOSTK-LLVKDONJSA-N 1 1 279.344 1.551 20 5 CDBDMO CC[C@@H](CO)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000916572240 632020208 /nfs/dbraw/zinc/02/02/08/632020208.db2.gz ZIEBGPXMROGTDV-JTQLQIEISA-N 1 1 292.295 1.505 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000919380472 632577204 /nfs/dbraw/zinc/57/72/04/632577204.db2.gz UPIUIPZFHREIMG-LLVKDONJSA-N 1 1 296.327 1.209 20 5 CDBDMO C[NH+](C)C(C)(C)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158634440 1178226444 /nfs/dbraw/zinc/22/64/44/1178226444.db2.gz FAZUZYKYYJWFKN-ZDUSSCGKSA-N 1 1 281.356 1.558 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636403 719212326 /nfs/dbraw/zinc/21/23/26/719212326.db2.gz KBWPSNJQIVFTTR-RKDXNWHRSA-N 1 1 265.317 1.101 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](CO)C1 ZINC000877645046 1166071826 /nfs/dbraw/zinc/07/18/26/1166071826.db2.gz ZEJMUIIIHUWPBP-NSHDSACASA-N 1 1 299.758 1.357 20 5 CDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000886589467 796510008 /nfs/dbraw/zinc/51/00/08/796510008.db2.gz WDGIAOQBWVNZTM-NSHDSACASA-N 1 1 295.339 1.990 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000886589467 796510021 /nfs/dbraw/zinc/51/00/21/796510021.db2.gz WDGIAOQBWVNZTM-NSHDSACASA-N 1 1 295.339 1.990 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]21 ZINC000865851585 796575455 /nfs/dbraw/zinc/57/54/55/796575455.db2.gz HWDAZVSRZJMRJK-OTYXRUKQSA-N 1 1 295.314 1.367 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000882493188 797059292 /nfs/dbraw/zinc/05/92/92/797059292.db2.gz ZDZJUEANFYLHJL-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000872771056 797067575 /nfs/dbraw/zinc/06/75/75/797067575.db2.gz DNAOYFRUDYIUSZ-NSHDSACASA-N 1 1 280.328 1.513 20 5 CDBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000872771056 797067582 /nfs/dbraw/zinc/06/75/82/797067582.db2.gz DNAOYFRUDYIUSZ-NSHDSACASA-N 1 1 280.328 1.513 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964140 797086569 /nfs/dbraw/zinc/08/65/69/797086569.db2.gz BRSJDFJAPJCUFP-XQQFMLRXSA-N 1 1 255.362 1.600 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000779867526 797144658 /nfs/dbraw/zinc/14/46/58/797144658.db2.gz ALBQATOZRYYFAT-LLVKDONJSA-N 1 1 250.302 1.789 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000779867526 797144663 /nfs/dbraw/zinc/14/46/63/797144663.db2.gz ALBQATOZRYYFAT-LLVKDONJSA-N 1 1 250.302 1.789 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179026420 797252627 /nfs/dbraw/zinc/25/26/27/797252627.db2.gz BXTRYGWNOYIOCW-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653398 797412925 /nfs/dbraw/zinc/41/29/25/797412925.db2.gz JCKYQNHCXDXCAW-AAVRWANBSA-N 1 1 295.383 1.326 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000882486036 797508243 /nfs/dbraw/zinc/50/82/43/797508243.db2.gz OBYHTAPGCKBEQA-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(C)c1[N+](=O)[O-] ZINC000172943040 797766370 /nfs/dbraw/zinc/76/63/70/797766370.db2.gz PIQSFKDJPUIYIL-PHIMTYICSA-N 1 1 264.329 1.953 20 5 CDBDMO Cc1nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(C)c1[N+](=O)[O-] ZINC000172943040 797766390 /nfs/dbraw/zinc/76/63/90/797766390.db2.gz PIQSFKDJPUIYIL-PHIMTYICSA-N 1 1 264.329 1.953 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000051860617 797821442 /nfs/dbraw/zinc/82/14/42/797821442.db2.gz KJHMEWDPTAGQBM-UHFFFAOYSA-N 1 1 278.268 1.763 20 5 CDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839749739 797868746 /nfs/dbraw/zinc/86/87/46/797868746.db2.gz DLNFRYJIFDKFFZ-MGPQQGTHSA-N 1 1 295.383 1.565 20 5 CDBDMO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839749739 797868748 /nfs/dbraw/zinc/86/87/48/797868748.db2.gz DLNFRYJIFDKFFZ-MGPQQGTHSA-N 1 1 295.383 1.565 20 5 CDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839749739 797868749 /nfs/dbraw/zinc/86/87/49/797868749.db2.gz DLNFRYJIFDKFFZ-MGPQQGTHSA-N 1 1 295.383 1.565 20 5 CDBDMO COCCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000066371298 797887713 /nfs/dbraw/zinc/88/77/13/797887713.db2.gz SYEDDWVRUBSOGR-UHFFFAOYSA-N 1 1 256.306 1.334 20 5 CDBDMO COCCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000066371298 797887714 /nfs/dbraw/zinc/88/77/14/797887714.db2.gz SYEDDWVRUBSOGR-UHFFFAOYSA-N 1 1 256.306 1.334 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238578 797960726 /nfs/dbraw/zinc/96/07/26/797960726.db2.gz VSKSVYITRDDWPF-UHFFFAOYSA-N 1 1 292.295 1.689 20 5 CDBDMO COc1cccc([C@H](C)[NH+]2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000791054136 798044366 /nfs/dbraw/zinc/04/43/66/798044366.db2.gz XXCIFMDVMFHRJH-ZDUSSCGKSA-N 1 1 293.367 1.651 20 5 CDBDMO COc1cnc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167272999 895011599 /nfs/dbraw/zinc/01/15/99/895011599.db2.gz MHYXMIWYPPZSOJ-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710584 905496837 /nfs/dbraw/zinc/49/68/37/905496837.db2.gz SUQVNKKDOAYMAQ-NSHDSACASA-N 1 1 251.286 1.851 20 5 CDBDMO O=C(NC1CC[NH+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789001 921238216 /nfs/dbraw/zinc/23/82/16/921238216.db2.gz QTNAFOFNWNAXKL-CHWSQXEVSA-N 1 1 281.356 1.032 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160380062 909971354 /nfs/dbraw/zinc/97/13/54/909971354.db2.gz ITQQAIFBRKSOMS-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000828987994 936398478 /nfs/dbraw/zinc/39/84/78/936398478.db2.gz PAADUXBHQNKBPU-RNCFNFMXSA-N 1 1 265.288 1.874 20 5 CDBDMO O=C(NCC1=CC[N@@H+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674038 936538181 /nfs/dbraw/zinc/53/81/81/936538181.db2.gz LIHAPMIEZMOTEK-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCC1=CC[N@H+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674038 936538183 /nfs/dbraw/zinc/53/81/83/936538183.db2.gz LIHAPMIEZMOTEK-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCC1=CC[N@@H+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674038 936538186 /nfs/dbraw/zinc/53/81/86/936538186.db2.gz LIHAPMIEZMOTEK-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO C[C@@H](COC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N+](=O)[O-] ZINC000835455819 936734571 /nfs/dbraw/zinc/73/45/71/936734571.db2.gz PGGQOBPHZWDHCP-VIFPVBQESA-N 1 1 276.252 1.089 20 5 CDBDMO [NH3+]Cc1nc(=O)[nH]n1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168762696 923797226 /nfs/dbraw/zinc/79/72/26/923797226.db2.gz MJONZFVCYUPPLW-UHFFFAOYSA-N 1 1 285.263 1.493 20 5 CDBDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979260 927568641 /nfs/dbraw/zinc/56/86/41/927568641.db2.gz XYPJFUVFDWTWRV-VXGBXAGGSA-N 1 1 257.378 1.609 20 5 CDBDMO NCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956636 927578272 /nfs/dbraw/zinc/57/82/72/927578272.db2.gz CBZLWWZQJURPFT-GJZGRUSLSA-N 1 1 277.368 1.893 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168988610 927626786 /nfs/dbraw/zinc/62/67/86/927626786.db2.gz SWHPJQFQEIXZRU-DRZSPHRISA-N 1 1 284.356 1.753 20 5 CDBDMO O=C1NC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039241 927649932 /nfs/dbraw/zinc/64/99/32/927649932.db2.gz OMZVUYUEKSAMHH-LOWVWBTDSA-N 1 1 283.328 1.006 20 5 CDBDMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038565 927651394 /nfs/dbraw/zinc/65/13/94/927651394.db2.gz ZRINBFCLTBESJP-AVGNSLFASA-N 1 1 284.356 1.849 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccccn3)C2)C1 ZINC001169040427 927653680 /nfs/dbraw/zinc/65/36/80/927653680.db2.gz ZUIKHYRJGXGCTQ-VNHYZAJKSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccccn3)C2)C1 ZINC001169040427 927653685 /nfs/dbraw/zinc/65/36/85/927653685.db2.gz ZUIKHYRJGXGCTQ-VNHYZAJKSA-N 1 1 291.351 1.900 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039886 927654675 /nfs/dbraw/zinc/65/46/75/927654675.db2.gz VJQGJFYWLCCTAO-SRVKXCTJSA-N 1 1 270.329 1.459 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057836 927675026 /nfs/dbraw/zinc/67/50/26/927675026.db2.gz XYCLAFQJPMHUCN-WOPDTQHZSA-N 1 1 282.340 1.317 20 5 CDBDMO COCCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579647 927754791 /nfs/dbraw/zinc/75/47/91/927754791.db2.gz OXPONMFRVHLSJG-CYBMUJFWSA-N 1 1 268.313 1.597 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592160 927778866 /nfs/dbraw/zinc/77/88/66/927778866.db2.gz ZOURXEAJIIXAJJ-CORIIIEPSA-N 1 1 294.351 1.721 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776598402 927794472 /nfs/dbraw/zinc/79/44/72/927794472.db2.gz MXVWSTMKXFCWFH-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598402 927794480 /nfs/dbraw/zinc/79/44/80/927794480.db2.gz MXVWSTMKXFCWFH-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598402 927794490 /nfs/dbraw/zinc/79/44/90/927794490.db2.gz MXVWSTMKXFCWFH-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO Cc1noc(COC(=O)C(C)(C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000853917616 928124903 /nfs/dbraw/zinc/12/49/03/928124903.db2.gz AGDBVHPDWCUPEF-UHFFFAOYSA-N 1 1 297.311 1.809 20 5 CDBDMO CC(C)(O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886147124 928600609 /nfs/dbraw/zinc/60/06/09/928600609.db2.gz KCAWKPFKFBXXIX-UHFFFAOYSA-N 1 1 265.313 1.725 20 5 CDBDMO CC(C)(O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886147124 928600615 /nfs/dbraw/zinc/60/06/15/928600615.db2.gz KCAWKPFKFBXXIX-UHFFFAOYSA-N 1 1 265.313 1.725 20 5 CDBDMO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1[N+](=O)[O-] ZINC000858319907 928837771 /nfs/dbraw/zinc/83/77/71/928837771.db2.gz KFZIJJWZNHSOAC-VIFPVBQESA-N 1 1 297.311 1.101 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394730 937300750 /nfs/dbraw/zinc/30/07/50/937300750.db2.gz VWAKZUTTXRDQKJ-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001157021680 929108927 /nfs/dbraw/zinc/10/89/27/929108927.db2.gz QYAHLKHBEWNIJJ-SNVBAGLBSA-N 1 1 279.344 1.491 20 5 CDBDMO O=C(NCC1([NH2+]CCF)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530922 937390572 /nfs/dbraw/zinc/39/05/72/937390572.db2.gz ZBACHFQCOQAIHM-GHMZBOCLSA-N 1 1 287.335 1.030 20 5 CDBDMO C[C@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817972593 930656434 /nfs/dbraw/zinc/65/64/34/930656434.db2.gz YAEQYKZOBFBVDW-NSHDSACASA-N 1 1 278.356 1.500 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000885944663 930774041 /nfs/dbraw/zinc/77/40/41/930774041.db2.gz UHZRISGQQHDZDH-SNVBAGLBSA-N 1 1 251.286 1.194 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000885944663 930774045 /nfs/dbraw/zinc/77/40/45/930774045.db2.gz UHZRISGQQHDZDH-SNVBAGLBSA-N 1 1 251.286 1.194 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318377 930796457 /nfs/dbraw/zinc/79/64/57/930796457.db2.gz ZJWUZPYRILPZLC-SWLSCSKDSA-N 1 1 295.383 1.947 20 5 CDBDMO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819318377 930796467 /nfs/dbraw/zinc/79/64/67/930796467.db2.gz ZJWUZPYRILPZLC-SWLSCSKDSA-N 1 1 295.383 1.947 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886267497 930843118 /nfs/dbraw/zinc/84/31/18/930843118.db2.gz OCSVQSPQNFQNJU-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886267497 930843122 /nfs/dbraw/zinc/84/31/22/930843122.db2.gz OCSVQSPQNFQNJU-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[N+](=O)[O-] ZINC000822767664 931207181 /nfs/dbraw/zinc/20/71/81/931207181.db2.gz CITMBUWPCVAQMC-SNVBAGLBSA-N 1 1 269.345 1.175 20 5 CDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CC=CC1 ZINC001117942414 937571542 /nfs/dbraw/zinc/57/15/42/937571542.db2.gz YUDBYOIHHMKGFU-UHFFFAOYSA-N 1 1 278.268 1.787 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000930696013 933432331 /nfs/dbraw/zinc/43/23/31/933432331.db2.gz PUWQKWGFAUXWGV-SNVBAGLBSA-N 1 1 296.289 1.944 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000930696013 933432337 /nfs/dbraw/zinc/43/23/37/933432337.db2.gz PUWQKWGFAUXWGV-SNVBAGLBSA-N 1 1 296.289 1.944 20 5 CDBDMO COc1cc(CN2CCn3cc[nH+]c32)c([N+](=O)[O-])cc1F ZINC000931521756 933579537 /nfs/dbraw/zinc/57/95/37/933579537.db2.gz OWMKKISTXXZFSL-UHFFFAOYSA-N 1 1 292.270 1.959 20 5 CDBDMO C[C@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])cnn2C)CCCO1 ZINC001120037757 937775882 /nfs/dbraw/zinc/77/58/82/937775882.db2.gz KGNOPDMUAANDKR-NSHDSACASA-N 1 1 297.359 1.241 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220246 934803573 /nfs/dbraw/zinc/80/35/73/934803573.db2.gz PUDZGWJNZMOEMN-WQAKAFBOSA-N 1 1 266.297 1.083 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795750744 934930847 /nfs/dbraw/zinc/93/08/47/934930847.db2.gz MWPMGUHSBNSROD-SNVBAGLBSA-N 1 1 278.312 1.869 20 5 CDBDMO CC(C)[C@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC001120967698 937850691 /nfs/dbraw/zinc/85/06/91/937850691.db2.gz OEWPZSVGCYISAE-AWEZNQCLSA-N 1 1 275.308 1.994 20 5 CDBDMO COc1cc(NCc2ccc(N)[nH+]c2C)ncc1[N+](=O)[O-] ZINC001156974928 938441634 /nfs/dbraw/zinc/44/16/34/938441634.db2.gz WPDCOFVILCINRE-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC001157266054 938471745 /nfs/dbraw/zinc/47/17/45/938471745.db2.gz NHWGVIKLTZQEDP-BXKDBHETSA-N 1 1 280.303 1.659 20 5 CDBDMO COc1cnc(NC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157530885 938505264 /nfs/dbraw/zinc/50/52/64/938505264.db2.gz HFSALCUBTSREES-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C2(CCCC2)C1 ZINC001158410349 938619105 /nfs/dbraw/zinc/61/91/05/938619105.db2.gz QPYVGUZCJKCLBX-UHFFFAOYSA-N 1 1 291.355 1.637 20 5 CDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4CC[C@@H]4C3)c2c1 ZINC001158423228 938621797 /nfs/dbraw/zinc/62/17/97/938621797.db2.gz JFRXHIHXNONGSB-LLVKDONJSA-N 1 1 285.307 1.432 20 5 CDBDMO O=[N+]([O-])c1cccc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n1 ZINC001160726554 938820619 /nfs/dbraw/zinc/82/06/19/938820619.db2.gz ZNGCUMINLZGCOB-VXGBXAGGSA-N 1 1 292.339 1.655 20 5 CDBDMO CC[N@H+]1CCCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC000307895573 940967981 /nfs/dbraw/zinc/96/79/81/940967981.db2.gz JUJSLGBCJUDQHS-UHFFFAOYSA-N 1 1 299.762 1.879 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168840 941962520 /nfs/dbraw/zinc/96/25/20/941962520.db2.gz VLBHIPWLNKKLJR-JTQLQIEISA-N 1 1 279.296 1.167 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227063929 942125598 /nfs/dbraw/zinc/12/55/98/942125598.db2.gz IXVSZYVEIFBQPR-LLVKDONJSA-N 1 1 281.312 1.398 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222599 942151988 /nfs/dbraw/zinc/15/19/88/942151988.db2.gz SGUDKNZNHWZVOE-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO Cc1cnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001227234315 942154257 /nfs/dbraw/zinc/15/42/57/942154257.db2.gz GDPHOIDGRSLJFT-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cnc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001227234315 942154260 /nfs/dbraw/zinc/15/42/60/942154260.db2.gz GDPHOIDGRSLJFT-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1nc(Cl)nc(O[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227334634 942166607 /nfs/dbraw/zinc/16/66/07/942166607.db2.gz NWSXAMDNMBQLAV-QMMMGPOBSA-N 1 1 286.719 1.820 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656124 942348909 /nfs/dbraw/zinc/34/89/09/942348909.db2.gz ZQWQZWSAQBQOMB-SNVBAGLBSA-N 1 1 266.301 1.636 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001230491678 942625008 /nfs/dbraw/zinc/62/50/08/942625008.db2.gz ZULCERZXKWNMMI-SECBINFHSA-N 1 1 281.268 1.894 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001231261238 942838308 /nfs/dbraw/zinc/83/83/08/942838308.db2.gz ZOLKXPHCIHUZAT-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)n1 ZINC001231261238 942838314 /nfs/dbraw/zinc/83/83/14/942838314.db2.gz ZOLKXPHCIHUZAT-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CO ZINC001254552322 947520605 /nfs/dbraw/zinc/52/06/05/947520605.db2.gz KWNQTACBNSWNPH-DGCLKSJQSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@]1(O)COCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592075 947542078 /nfs/dbraw/zinc/54/20/78/947542078.db2.gz AERVCTRNOBYLDK-LSDHHAIUSA-N 1 1 292.335 1.145 20 5 CDBDMO C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592745 947543364 /nfs/dbraw/zinc/54/33/64/947543364.db2.gz GJLAOLNOVYWSSD-CUOATXAZSA-N 1 1 262.309 1.375 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC3(C1)OCCO3)C2 ZINC001254600744 947551328 /nfs/dbraw/zinc/55/13/28/947551328.db2.gz QZVGPJCIYZVEMM-AWEZNQCLSA-N 1 1 290.319 1.511 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCOC3(CC3)C1)C2 ZINC001254610618 947556773 /nfs/dbraw/zinc/55/67/73/947556773.db2.gz LTXSPABXVDEZEM-CQSZACIVSA-N 1 1 274.320 1.927 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCOC3(CC3)C1)C2 ZINC001254610618 947556783 /nfs/dbraw/zinc/55/67/83/947556783.db2.gz LTXSPABXVDEZEM-CQSZACIVSA-N 1 1 274.320 1.927 20 5 CDBDMO N[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565440 948281493 /nfs/dbraw/zinc/28/14/93/948281493.db2.gz CANLKEXNCRGTHQ-KXUCPTDWSA-N 1 1 281.278 1.397 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc3c(c([N+](=O)[O-])c2)OCO3)o1 ZINC001330056249 956253383 /nfs/dbraw/zinc/25/33/83/956253383.db2.gz OCEACGDUPAYFBJ-UHFFFAOYSA-N 1 1 292.251 1.435 20 5 CDBDMO CC(C)(O)[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001307537898 956417455 /nfs/dbraw/zinc/41/74/55/956417455.db2.gz MZDAIXQKTNBJKD-AWEZNQCLSA-N 1 1 294.351 1.691 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC001337266816 961068707 /nfs/dbraw/zinc/06/87/07/961068707.db2.gz GEKXHOUGOWEJBW-ZJUUUORDSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCN1C ZINC001337266816 961068724 /nfs/dbraw/zinc/06/87/24/961068724.db2.gz GEKXHOUGOWEJBW-ZJUUUORDSA-N 1 1 284.385 1.703 20 5 CDBDMO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001340535146 962988948 /nfs/dbraw/zinc/98/89/48/962988948.db2.gz MFFAIWGJLRPORB-AWEZNQCLSA-N 1 1 289.335 1.711 20 5 CDBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001343844745 964156223 /nfs/dbraw/zinc/15/62/23/964156223.db2.gz MVUVDXVRHGAZHO-NSHDSACASA-N 1 1 272.345 1.849 20 5 CDBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001343844745 964156229 /nfs/dbraw/zinc/15/62/29/964156229.db2.gz MVUVDXVRHGAZHO-NSHDSACASA-N 1 1 272.345 1.849 20 5 CDBDMO COCC[N@@H+](C)CCCNc1c(C)cncc1[N+](=O)[O-] ZINC001346019294 964890353 /nfs/dbraw/zinc/89/03/53/964890353.db2.gz ZPHFYEJQJDVDKO-UHFFFAOYSA-N 1 1 282.344 1.100 20 5 CDBDMO COC(=O)[C@@H]([NH3+])CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001573927585 1170831763 /nfs/dbraw/zinc/83/17/63/1170831763.db2.gz DRKMOZVAXHKIQN-VIFPVBQESA-N 1 1 295.295 1.122 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1CC[C@@H](O)C1)CCN2 ZINC000599175478 343976141 /nfs/dbraw/zinc/97/61/41/343976141.db2.gz CQHHBPYPLHHFJL-SNVBAGLBSA-N 1 1 292.339 1.041 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCOC[C@H]3O)c2c1 ZINC000601202596 342492886 /nfs/dbraw/zinc/49/28/86/342492886.db2.gz DCLBRNOBXSAGRN-ZIAGYGMSSA-N 1 1 289.291 1.127 20 5 CDBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199820 343979903 /nfs/dbraw/zinc/97/99/03/343979903.db2.gz RJKAVNHOVVWTMP-ZDUSSCGKSA-N 1 1 295.339 1.220 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000590602658 342577895 /nfs/dbraw/zinc/57/78/95/342577895.db2.gz MSZVGERADGMDJC-AWEZNQCLSA-N 1 1 295.383 1.728 20 5 CDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000600313463 342086302 /nfs/dbraw/zinc/08/63/02/342086302.db2.gz XMHVIEORRMDBMK-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C[N@H+]1C ZINC000593188196 342776264 /nfs/dbraw/zinc/77/62/64/342776264.db2.gz YNWFADNVVCWSAV-AXFHLTTASA-N 1 1 294.355 1.486 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508396 343080729 /nfs/dbraw/zinc/08/07/29/343080729.db2.gz XFGHDKJJQXQCNA-LLVKDONJSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595785815 343155675 /nfs/dbraw/zinc/15/56/75/343155675.db2.gz ZURZCNPVDKUOFG-BZPMIXESSA-N 1 1 296.371 1.663 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145125 343243205 /nfs/dbraw/zinc/24/32/05/343243205.db2.gz GUYSTPGVPSNPIL-BDAKNGLRSA-N 1 1 266.301 1.590 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145127 343243242 /nfs/dbraw/zinc/24/32/42/343243242.db2.gz GUYSTPGVPSNPIL-IUCAKERBSA-N 1 1 266.301 1.590 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596184409 343251035 /nfs/dbraw/zinc/25/10/35/343251035.db2.gz GPAYGKKVXCJRNN-UHFFFAOYSA-N 1 1 290.323 1.368 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596334502 343297651 /nfs/dbraw/zinc/29/76/51/343297651.db2.gz ANJRKKBIFYZKRG-VIFPVBQESA-N 1 1 280.328 1.980 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000601975169 344305071 /nfs/dbraw/zinc/30/50/71/344305071.db2.gz YVBBNJFIFJAABZ-AOOOYVTPSA-N 1 1 288.307 1.549 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000601975169 344305072 /nfs/dbraw/zinc/30/50/72/344305072.db2.gz YVBBNJFIFJAABZ-AOOOYVTPSA-N 1 1 288.307 1.549 20 5 CDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780778 344596357 /nfs/dbraw/zinc/59/63/57/344596357.db2.gz RTIOFZZNQLDDEM-STQMWFEESA-N 1 1 296.371 1.725 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000537610117 282374337 /nfs/dbraw/zinc/37/43/37/282374337.db2.gz DPTUMYVCPHMXLB-GXFFZTMASA-N 1 1 292.339 1.100 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293546483 362575211 /nfs/dbraw/zinc/57/52/11/362575211.db2.gz YPDZOWJQLZAHQD-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000226770098 346522372 /nfs/dbraw/zinc/52/23/72/346522372.db2.gz OTYFRVJSNLVFFV-QMMMGPOBSA-N 1 1 268.342 1.948 20 5 CDBDMO CC(C)[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584596039 346495844 /nfs/dbraw/zinc/49/58/44/346495844.db2.gz JQXRZKAPJFWEAT-CYBMUJFWSA-N 1 1 268.313 1.331 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299018 346741060 /nfs/dbraw/zinc/74/10/60/346741060.db2.gz IJIJFJWTXGARBX-NXEZZACHSA-N 1 1 250.302 1.519 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CC2CC2)CC1 ZINC000055668853 347849559 /nfs/dbraw/zinc/84/95/59/347849559.db2.gz KFTDPEAOHVACDF-UHFFFAOYSA-N 1 1 279.296 1.356 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)C1 ZINC000043305288 348755048 /nfs/dbraw/zinc/75/50/48/348755048.db2.gz QLDNFIBPVSAESG-GWCFXTLKSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)C1 ZINC000043305288 348755052 /nfs/dbraw/zinc/75/50/52/348755052.db2.gz QLDNFIBPVSAESG-GWCFXTLKSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293709539 362935605 /nfs/dbraw/zinc/93/56/05/362935605.db2.gz JBBFTAPIBKPUNC-VIFPVBQESA-N 1 1 281.312 1.228 20 5 CDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000273976833 192386741 /nfs/dbraw/zinc/38/67/41/192386741.db2.gz PZYLEYFFJMPLTE-IUCAKERBSA-N 1 1 263.301 1.422 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000090552191 180003129 /nfs/dbraw/zinc/00/31/29/180003129.db2.gz GIBQJJLUTWOYRJ-TXEJJXNPSA-N 1 1 277.324 1.488 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C1CC1 ZINC000079785251 350969106 /nfs/dbraw/zinc/96/91/06/350969106.db2.gz GPRBXYKAUDWLBC-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C1CC1 ZINC000079785251 350969108 /nfs/dbraw/zinc/96/91/08/350969108.db2.gz GPRBXYKAUDWLBC-CYBMUJFWSA-N 1 1 268.288 1.937 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(=O)NC ZINC000291748346 198078712 /nfs/dbraw/zinc/07/87/12/198078712.db2.gz PTGUSRKVIYYKHO-VIFPVBQESA-N 1 1 281.312 1.218 20 5 CDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000122359082 187028778 /nfs/dbraw/zinc/02/87/78/187028778.db2.gz QHNJWGCKACOQPX-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000292133303 198176413 /nfs/dbraw/zinc/17/64/13/198176413.db2.gz LLWFELXBDHXADA-UHFFFAOYSA-N 1 1 295.339 1.551 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154772909 188160859 /nfs/dbraw/zinc/16/08/59/188160859.db2.gz YDQVQFDWPZYCDX-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000250973522 366114143 /nfs/dbraw/zinc/11/41/43/366114143.db2.gz FANVQKSICOJYMY-RYUDHWBXSA-N 1 1 292.339 1.573 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000559043163 356081946 /nfs/dbraw/zinc/08/19/46/356081946.db2.gz GZMJTMSUMWMYQF-SNVBAGLBSA-N 1 1 293.327 1.065 20 5 CDBDMO C[N@H+](CCOCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336809140 356272195 /nfs/dbraw/zinc/27/21/95/356272195.db2.gz UHGIULZBFCKRQN-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336809140 356272197 /nfs/dbraw/zinc/27/21/97/356272197.db2.gz UHGIULZBFCKRQN-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000286270183 356240126 /nfs/dbraw/zinc/24/01/26/356240126.db2.gz 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O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000267918646 363784968 /nfs/dbraw/zinc/78/49/68/363784968.db2.gz PYWKDNPQUYALPY-UHFFFAOYSA-N 1 1 287.319 1.984 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000267918646 363784970 /nfs/dbraw/zinc/78/49/70/363784970.db2.gz PYWKDNPQUYALPY-UHFFFAOYSA-N 1 1 287.319 1.984 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340918793 364277603 /nfs/dbraw/zinc/27/76/03/364277603.db2.gz CDPHPFOBSLHOIU-PWSUYJOCSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340918793 364277609 /nfs/dbraw/zinc/27/76/09/364277609.db2.gz CDPHPFOBSLHOIU-PWSUYJOCSA-N 1 1 293.323 1.297 20 5 CDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)O ZINC000270471611 366885610 /nfs/dbraw/zinc/88/56/10/366885610.db2.gz CKVBQQAKGIPIHO-UHFFFAOYSA-N 1 1 297.355 1.239 20 5 CDBDMO CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270827368 366935037 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ICYOAUHQUXVRAO-HNNXBMFYSA-N 1 1 292.335 1.820 20 5 CDBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447840953 374717113 /nfs/dbraw/zinc/71/71/13/374717113.db2.gz VOCINVCSDAOKLO-VXGBXAGGSA-N 1 1 282.344 1.417 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331234629 374910728 /nfs/dbraw/zinc/91/07/28/374910728.db2.gz DLGKTSDAUUOSSZ-NSHDSACASA-N 1 1 293.323 1.467 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331234629 374910733 /nfs/dbraw/zinc/91/07/33/374910733.db2.gz DLGKTSDAUUOSSZ-NSHDSACASA-N 1 1 293.323 1.467 20 5 CDBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291706 374990303 /nfs/dbraw/zinc/99/03/03/374990303.db2.gz FFQOTLMDIJZVBX-DOMZBBRYSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291706 374990306 /nfs/dbraw/zinc/99/03/06/374990306.db2.gz FFQOTLMDIJZVBX-DOMZBBRYSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000332206206 375014707 /nfs/dbraw/zinc/01/47/07/375014707.db2.gz DWEJCKHJEAWICF-JTQLQIEISA-N 1 1 266.297 1.911 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000332206206 375014712 /nfs/dbraw/zinc/01/47/12/375014712.db2.gz DWEJCKHJEAWICF-JTQLQIEISA-N 1 1 266.297 1.911 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](CO)C3)nc2c1 ZINC000332294049 375024927 /nfs/dbraw/zinc/02/49/27/375024927.db2.gz ZVEVETXZXNPSGN-SNVBAGLBSA-N 1 1 290.323 1.675 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CO)C3)nc2c1 ZINC000332294049 375024931 /nfs/dbraw/zinc/02/49/31/375024931.db2.gz ZVEVETXZXNPSGN-SNVBAGLBSA-N 1 1 290.323 1.675 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282383741 375084287 /nfs/dbraw/zinc/08/42/87/375084287.db2.gz DATXSUGKQHGKOL-GFCCVEGCSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282383741 375084291 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CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000227920475 375648508 /nfs/dbraw/zinc/64/85/08/375648508.db2.gz AAVBVQTZXVPEQR-SECBINFHSA-N 1 1 255.322 1.471 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000354524798 375720527 /nfs/dbraw/zinc/72/05/27/375720527.db2.gz CMTSIESBRMEMNC-LBPRGKRZSA-N 1 1 295.343 1.154 20 5 CDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000355198254 375782320 /nfs/dbraw/zinc/78/23/20/375782320.db2.gz NJPOSSLTHNOIMW-BPJJOFIESA-N 1 1 275.308 1.428 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000355198254 375782325 /nfs/dbraw/zinc/78/23/25/375782325.db2.gz NJPOSSLTHNOIMW-BPJJOFIESA-N 1 1 275.308 1.428 20 5 CDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000355028021 375770363 /nfs/dbraw/zinc/77/03/63/375770363.db2.gz FSEBTZAHHJABEV-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000355028021 375770367 /nfs/dbraw/zinc/77/03/67/375770367.db2.gz FSEBTZAHHJABEV-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064874 375881715 /nfs/dbraw/zinc/88/17/15/375881715.db2.gz JREOIKJIRWOQNM-STQMWFEESA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000190362210 377577891 /nfs/dbraw/zinc/57/78/91/377577891.db2.gz ZLAZZGPGYVOSHN-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000190362210 377577900 /nfs/dbraw/zinc/57/79/00/377577900.db2.gz ZLAZZGPGYVOSHN-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000543929847 377722922 /nfs/dbraw/zinc/72/29/22/377722922.db2.gz ABVFJEZFAOXDTC-VIFPVBQESA-N 1 1 279.296 1.494 20 5 CDBDMO COCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469914 378455452 /nfs/dbraw/zinc/45/54/52/378455452.db2.gz ATMXPOUSLHJMMR-LBPRGKRZSA-N 1 1 294.355 1.903 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000450593533 251356144 /nfs/dbraw/zinc/35/61/44/251356144.db2.gz IWGNJDBJYOKNTD-AWEZNQCLSA-N 1 1 279.340 1.854 20 5 CDBDMO C[N@@H+](CCc1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC000289384272 197322442 /nfs/dbraw/zinc/32/24/42/197322442.db2.gz QIHVIVRFMZSVHU-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO COCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048611067 390449693 /nfs/dbraw/zinc/44/96/93/390449693.db2.gz KCPDULNRJCSTGH-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO COCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048611067 390449697 /nfs/dbraw/zinc/44/96/97/390449697.db2.gz KCPDULNRJCSTGH-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537906 390630505 /nfs/dbraw/zinc/63/05/05/390630505.db2.gz IWTJGPCRFKZKJY-NEPJUHHUSA-N 1 1 282.344 1.538 20 5 CDBDMO C[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286704006 390682508 /nfs/dbraw/zinc/68/25/08/390682508.db2.gz CFWDTDWJKBUJLM-UHFFFAOYSA-N 1 1 293.352 1.741 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452034675 390982078 /nfs/dbraw/zinc/98/20/78/390982078.db2.gz FCYXSNZMRKBVOA-JTQLQIEISA-N 1 1 268.317 1.329 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452034675 390982079 /nfs/dbraw/zinc/98/20/79/390982079.db2.gz FCYXSNZMRKBVOA-JTQLQIEISA-N 1 1 268.317 1.329 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000264370088 391116513 /nfs/dbraw/zinc/11/65/13/391116513.db2.gz WQVXUKHIDFMIPT-MNOVXSKESA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000408074968 391244805 /nfs/dbraw/zinc/24/48/05/391244805.db2.gz XZGZGWFWEITQEL-BDAKNGLRSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000408074968 391244808 /nfs/dbraw/zinc/24/48/08/391244808.db2.gz XZGZGWFWEITQEL-BDAKNGLRSA-N 1 1 283.353 1.821 20 5 CDBDMO Cc1cnc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248290 391694069 /nfs/dbraw/zinc/69/40/69/391694069.db2.gz ZLKNPHZDGHYKME-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248290 391694070 /nfs/dbraw/zinc/69/40/70/391694070.db2.gz ZLKNPHZDGHYKME-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000189733949 130017982 /nfs/dbraw/zinc/01/79/82/130017982.db2.gz HXMUQALIGKOKHN-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000520310415 391781455 /nfs/dbraw/zinc/78/14/55/391781455.db2.gz IQBFPEGBPKXYFH-AWEZNQCLSA-N 1 1 293.371 1.652 20 5 CDBDMO COC[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264155623 131403226 /nfs/dbraw/zinc/40/32/26/131403226.db2.gz RGZFGRLLNWCWLF-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000301152880 392518711 /nfs/dbraw/zinc/51/87/11/392518711.db2.gz BJDZNDDFDMBTQX-RYUDHWBXSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000443508916 392584242 /nfs/dbraw/zinc/58/42/42/392584242.db2.gz HPIOELBIMLAJRI-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078454490 392929221 /nfs/dbraw/zinc/92/92/21/392929221.db2.gz WFRZNCJMBTUDGE-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1nc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268526425 132022446 /nfs/dbraw/zinc/02/24/46/132022446.db2.gz WDASYFFPGSHXGJ-NSHDSACASA-N 1 1 293.371 1.346 20 5 CDBDMO CNCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242844 392960090 /nfs/dbraw/zinc/96/00/90/392960090.db2.gz JKKNELRIMUIFHP-GHMZBOCLSA-N 1 1 267.333 1.084 20 5 CDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000423307367 392960460 /nfs/dbraw/zinc/96/04/60/392960460.db2.gz VTQNWEYBVFQQRK-JTQLQIEISA-N 1 1 292.339 1.121 20 5 CDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(C)(C)[NH3+] ZINC000423288586 392961295 /nfs/dbraw/zinc/96/12/95/392961295.db2.gz TUXCRCDULXIZOH-SNVBAGLBSA-N 1 1 294.355 1.639 20 5 CDBDMO CO[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000449570386 393133347 /nfs/dbraw/zinc/13/33/47/393133347.db2.gz HNWSERUAGGFETF-IOKDEZFASA-N 1 1 278.308 1.300 20 5 CDBDMO CO[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000449570386 393133354 /nfs/dbraw/zinc/13/33/54/393133354.db2.gz HNWSERUAGGFETF-IOKDEZFASA-N 1 1 278.308 1.300 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H]1C ZINC000487953351 393354596 /nfs/dbraw/zinc/35/45/96/393354596.db2.gz KGURUPFPXYDFCJ-GXTWGEPZSA-N 1 1 296.371 1.928 20 5 CDBDMO COCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000438349719 397626788 /nfs/dbraw/zinc/62/67/88/397626788.db2.gz ZRZLRACXYUBSDT-DAXSKMNVSA-N 1 1 294.351 1.939 20 5 CDBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](C)O ZINC000352224161 155037705 /nfs/dbraw/zinc/03/77/05/155037705.db2.gz ZHIBAGZQDUWAGI-VIFPVBQESA-N 1 1 279.296 1.939 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375321686 160367189 /nfs/dbraw/zinc/36/71/89/160367189.db2.gz WYTVHJNVJAMXJC-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375321686 160367192 /nfs/dbraw/zinc/36/71/92/160367192.db2.gz WYTVHJNVJAMXJC-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[C@@H](C)C1 ZINC000362149693 159084452 /nfs/dbraw/zinc/08/44/52/159084452.db2.gz NHXBWVSOHBZYMG-OLZOCXBDSA-N 1 1 296.371 1.928 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H](C)C1 ZINC000362158605 159087969 /nfs/dbraw/zinc/08/79/69/159087969.db2.gz SODYEMYJFSKNDD-QWHCGFSZSA-N 1 1 296.371 1.928 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000372154810 160085980 /nfs/dbraw/zinc/08/59/80/160085980.db2.gz IBRZFNMYDZBNDT-NEPJUHHUSA-N 1 1 280.328 1.150 20 5 CDBDMO C[C@H]1COCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217115 160092583 /nfs/dbraw/zinc/09/25/83/160092583.db2.gz OBXCCIYKAIWTKX-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537636 175199970 /nfs/dbraw/zinc/19/99/70/175199970.db2.gz LJTRKRGDSJFOPI-SNVBAGLBSA-N 1 1 250.302 1.744 20 5 CDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000071377587 176142597 /nfs/dbraw/zinc/14/25/97/176142597.db2.gz SSRXDBJABLHIJM-UHFFFAOYSA-N 1 1 265.317 1.671 20 5 CDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313055288 260241657 /nfs/dbraw/zinc/24/16/57/260241657.db2.gz DHJRXPVRWYAAAE-UHFFFAOYSA-N 1 1 283.303 1.738 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000338419289 274118054 /nfs/dbraw/zinc/11/80/54/274118054.db2.gz LQWPXBBADGKXKG-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO CC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000191706003 276088810 /nfs/dbraw/zinc/08/88/10/276088810.db2.gz BQDIMWBOXNEDEA-UHFFFAOYSA-N 1 1 251.286 1.210 20 5 CDBDMO CC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000191706003 276088811 /nfs/dbraw/zinc/08/88/11/276088811.db2.gz BQDIMWBOXNEDEA-UHFFFAOYSA-N 1 1 251.286 1.210 20 5 CDBDMO C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cn1)CC2 ZINC000373394876 277042605 /nfs/dbraw/zinc/04/26/05/277042605.db2.gz SFMZUFIPWOCFOB-UHFFFAOYSA-N 1 1 277.328 1.449 20 5 CDBDMO C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000020939320 277108934 /nfs/dbraw/zinc/10/89/34/277108934.db2.gz BPBHLTWJORUKTQ-UHFFFAOYSA-N 1 1 293.323 1.209 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000357625385 277131155 /nfs/dbraw/zinc/13/11/55/277131155.db2.gz VXZBVRCRLDQYOL-RYUDHWBXSA-N 1 1 281.287 1.253 20 5 CDBDMO COCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266192877 277527294 /nfs/dbraw/zinc/52/72/94/277527294.db2.gz GYOUXASNQSBFSB-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO C[C@@H](O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451046225 278391699 /nfs/dbraw/zinc/39/16/99/278391699.db2.gz FQQMHHIZHATBQF-SNVBAGLBSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@@H](O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451046225 278391700 /nfs/dbraw/zinc/39/17/00/278391700.db2.gz FQQMHHIZHATBQF-SNVBAGLBSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580602 279262267 /nfs/dbraw/zinc/26/22/67/279262267.db2.gz AEIMTPRJZZFPLZ-DOMZBBRYSA-N 1 1 293.367 1.903 20 5 CDBDMO Cc1c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000295363621 280208321 /nfs/dbraw/zinc/20/83/21/280208321.db2.gz ZRUKKZQAYNLZBM-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H](C)O ZINC000245438514 280208575 /nfs/dbraw/zinc/20/85/75/280208575.db2.gz FKFGRDKKPIXVPZ-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@H](C)O ZINC000245438514 280208578 /nfs/dbraw/zinc/20/85/78/280208578.db2.gz FKFGRDKKPIXVPZ-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000270211753 281007809 /nfs/dbraw/zinc/00/78/09/281007809.db2.gz JRIHVRSPJXYOIZ-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977278 281062612 /nfs/dbraw/zinc/06/26/12/281062612.db2.gz GKMSKQKOGNPNRU-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000522188813 281091768 /nfs/dbraw/zinc/09/17/68/281091768.db2.gz PAFHSBYGAHZYHJ-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021066 281115167 /nfs/dbraw/zinc/11/51/67/281115167.db2.gz NKKJUPNKUXVSGY-JQWIXIFHSA-N 1 1 294.355 1.346 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)n1 ZINC000574914381 295075605 /nfs/dbraw/zinc/07/56/05/295075605.db2.gz MKNJMAHHTPXZHW-CHWSQXEVSA-N 1 1 294.355 1.682 20 5 CDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000584378623 329307154 /nfs/dbraw/zinc/30/71/54/329307154.db2.gz QPRGZVOJYBEOOM-AWEZNQCLSA-N 1 1 282.340 1.813 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176245522 482477063 /nfs/dbraw/zinc/47/70/63/482477063.db2.gz VYDFPJRTSLXRIN-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967191 1161996329 /nfs/dbraw/zinc/99/63/29/1161996329.db2.gz OANCNBYXMWASNI-AGIUHOORSA-N 1 1 286.372 1.999 20 5 CDBDMO CC[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752181523 1184833537 /nfs/dbraw/zinc/83/35/37/1184833537.db2.gz BICRZGOTBMTXTI-VRJVPJCWSA-N 1 1 289.763 1.232 20 5 CDBDMO CC[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752181523 1184833543 /nfs/dbraw/zinc/83/35/43/1184833543.db2.gz BICRZGOTBMTXTI-VRJVPJCWSA-N 1 1 289.763 1.232 20 5 CDBDMO CC[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752181523 1184833548 /nfs/dbraw/zinc/83/35/48/1184833548.db2.gz BICRZGOTBMTXTI-VRJVPJCWSA-N 1 1 289.763 1.232 20 5 CDBDMO Cc1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166584 524583793 /nfs/dbraw/zinc/58/37/93/524583793.db2.gz MKCWSXLGISTMHH-CQSZACIVSA-N 1 1 279.340 1.059 20 5 CDBDMO Cc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358166584 524583797 /nfs/dbraw/zinc/58/37/97/524583797.db2.gz MKCWSXLGISTMHH-CQSZACIVSA-N 1 1 279.340 1.059 20 5 CDBDMO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399137 /nfs/dbraw/zinc/39/91/37/525399137.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399146 /nfs/dbraw/zinc/39/91/46/525399146.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484937 /nfs/dbraw/zinc/48/49/37/525484937.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484943 /nfs/dbraw/zinc/48/49/43/525484943.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 1 1 292.383 1.491 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000305823397 536771475 /nfs/dbraw/zinc/77/14/75/536771475.db2.gz LWUYZALCPUXOIF-JTQLQIEISA-N 1 1 252.270 1.170 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000767119108 576161974 /nfs/dbraw/zinc/16/19/74/576161974.db2.gz HHXDYEOJKBERBX-QWHCGFSZSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000767119108 576161975 /nfs/dbraw/zinc/16/19/75/576161975.db2.gz HHXDYEOJKBERBX-QWHCGFSZSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2C2OCCO2)n1 ZINC000747960266 576890231 /nfs/dbraw/zinc/89/02/31/576890231.db2.gz YOFGLNFHDWBBPO-NSHDSACASA-N 1 1 296.327 1.019 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2C2OCCO2)n1 ZINC000747960266 576890233 /nfs/dbraw/zinc/89/02/33/576890233.db2.gz YOFGLNFHDWBBPO-NSHDSACASA-N 1 1 296.327 1.019 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798966 576963295 /nfs/dbraw/zinc/96/32/95/576963295.db2.gz UWLRMYLMPDPAPL-GHMZBOCLSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000749798966 576963297 /nfs/dbraw/zinc/96/32/97/576963297.db2.gz UWLRMYLMPDPAPL-GHMZBOCLSA-N 1 1 266.301 1.107 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000751947304 577077389 /nfs/dbraw/zinc/07/73/89/577077389.db2.gz ONJHXCVLJSXNED-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000751947304 577077391 /nfs/dbraw/zinc/07/73/91/577077391.db2.gz ONJHXCVLJSXNED-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930750839 617530924 /nfs/dbraw/zinc/53/09/24/617530924.db2.gz MQNXPBFKLQLZRB-MNOVXSKESA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930750839 617530927 /nfs/dbraw/zinc/53/09/27/617530927.db2.gz MQNXPBFKLQLZRB-MNOVXSKESA-N 1 1 272.345 1.563 20 5 CDBDMO CC(=O)c1ccc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941927 618206616 /nfs/dbraw/zinc/20/66/16/618206616.db2.gz XOJFFACUFLJZKG-WFASDCNBSA-N 1 1 289.335 1.938 20 5 CDBDMO Cc1ccnc(N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000894996305 619193379 /nfs/dbraw/zinc/19/33/79/619193379.db2.gz KZMRQNFATLMDTC-SECBINFHSA-N 1 1 259.269 1.532 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244894 619485803 /nfs/dbraw/zinc/48/58/03/619485803.db2.gz ADZXVKHMCQGGAE-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244894 619485807 /nfs/dbraw/zinc/48/58/07/619485807.db2.gz ADZXVKHMCQGGAE-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895244894 619485812 /nfs/dbraw/zinc/48/58/12/619485812.db2.gz ADZXVKHMCQGGAE-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895244894 619485814 /nfs/dbraw/zinc/48/58/14/619485814.db2.gz ADZXVKHMCQGGAE-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895430033 619657407 /nfs/dbraw/zinc/65/74/07/619657407.db2.gz AJWXXPSKIUYRPZ-UHFFFAOYSA-N 1 1 291.351 1.989 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CC[N@H+]1C ZINC000895771263 619837722 /nfs/dbraw/zinc/83/77/22/619837722.db2.gz WUHAITCEOJBNCA-SNVBAGLBSA-N 1 1 293.323 1.806 20 5 CDBDMO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905066839 626614457 /nfs/dbraw/zinc/61/44/57/626614457.db2.gz UENKVEIDLDNEPW-LLVKDONJSA-N 1 1 255.318 1.529 20 5 CDBDMO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]CC[N+](=O)[O-])N(C)C ZINC000905231398 626685849 /nfs/dbraw/zinc/68/58/49/626685849.db2.gz SSBDMGWTXXAWFN-TZMCWYRMSA-N 1 1 265.357 1.853 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000908277647 628106616 /nfs/dbraw/zinc/10/66/16/628106616.db2.gz CMYLLGKZVSMIEW-VIFPVBQESA-N 1 1 281.312 1.882 20 5 CDBDMO CCOCC[N@@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174990 632075285 /nfs/dbraw/zinc/07/52/85/632075285.db2.gz HKHABDBDIZMYNF-CQSZACIVSA-N 1 1 282.340 1.987 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327653 1162337820 /nfs/dbraw/zinc/33/78/20/1162337820.db2.gz GVQKUEOZXMMZRN-ZYHUDNBSSA-N 1 1 280.324 1.601 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792453 1162613691 /nfs/dbraw/zinc/61/36/91/1162613691.db2.gz UZAHNCMOBOLLSP-BXUZGUMPSA-N 1 1 282.340 1.721 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000870867338 1165224861 /nfs/dbraw/zinc/22/48/61/1165224861.db2.gz FHOXSZFXMOWXMP-ZDUSSCGKSA-N 1 1 295.364 1.344 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696077 1166397320 /nfs/dbraw/zinc/39/73/20/1166397320.db2.gz HOBYNNVRHQCNTF-UPJWGTAASA-N 1 1 294.351 1.497 20 5 CDBDMO C[C@]([NH3+])(C(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001576086693 1171330053 /nfs/dbraw/zinc/33/00/53/1171330053.db2.gz YDQYBMNSNQYZNW-CQSZACIVSA-N 1 1 286.291 1.802 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683135 /nfs/dbraw/zinc/68/31/35/1175683135.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 1 1 288.311 1.617 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164641711 719216666 /nfs/dbraw/zinc/21/66/66/719216666.db2.gz UWRUNWBGVHKACZ-UWVGGRQHSA-N 1 1 280.328 1.065 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164641711 719216670 /nfs/dbraw/zinc/21/66/70/719216670.db2.gz UWRUNWBGVHKACZ-UWVGGRQHSA-N 1 1 280.328 1.065 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886188203 811867206 /nfs/dbraw/zinc/86/72/06/811867206.db2.gz MWNFXMDSURYAKY-PWSUYJOCSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886188203 811867208 /nfs/dbraw/zinc/86/72/08/811867208.db2.gz MWNFXMDSURYAKY-PWSUYJOCSA-N 1 1 265.313 1.989 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000930612133 805086427 /nfs/dbraw/zinc/08/64/27/805086427.db2.gz NMCXDUWKOSAMCV-NSHDSACASA-N 1 1 292.257 1.995 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886234601 805368793 /nfs/dbraw/zinc/36/87/93/805368793.db2.gz QYDCOYAPMHXVQC-CYBMUJFWSA-N 1 1 278.356 1.906 20 5 CDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222702 811326560 /nfs/dbraw/zinc/32/65/60/811326560.db2.gz ADMLQLGIHUCRBL-NEPJUHHUSA-N 1 1 265.313 1.583 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCCO)C2CC2)cc1 ZINC000776585609 811650543 /nfs/dbraw/zinc/65/05/43/811650543.db2.gz XUNKIDMNMGJYOD-AWEZNQCLSA-N 1 1 280.324 1.475 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000882959402 811774871 /nfs/dbraw/zinc/77/48/71/811774871.db2.gz FERVLTJZUHJNTE-SNVBAGLBSA-N 1 1 294.311 1.283 20 5 CDBDMO O=C(OC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851468828 811957458 /nfs/dbraw/zinc/95/74/58/811957458.db2.gz GSFNRMUKKXOQTQ-BFHYXJOUSA-N 1 1 290.319 1.469 20 5 CDBDMO CC[NH+](CC)C[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158637941 812055444 /nfs/dbraw/zinc/05/54/44/812055444.db2.gz FBDQIUUTUGPCBF-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO C[NH2+]CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841038107 812065051 /nfs/dbraw/zinc/06/50/51/812065051.db2.gz VWJUAHRCVYOXDU-UHFFFAOYSA-N 1 1 278.356 1.373 20 5 CDBDMO CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886203506 812092535 /nfs/dbraw/zinc/09/25/35/812092535.db2.gz WTGCUPNSZBCXEH-NSHDSACASA-N 1 1 264.329 1.516 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159453023 812206513 /nfs/dbraw/zinc/20/65/13/812206513.db2.gz RISTWPCAPUFTJM-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1O ZINC000159453023 812206527 /nfs/dbraw/zinc/20/65/27/812206527.db2.gz RISTWPCAPUFTJM-RNCFNFMXSA-N 1 1 295.295 1.706 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000828422133 812208249 /nfs/dbraw/zinc/20/82/49/812208249.db2.gz OKCBVIGWEQMWGN-GFCCVEGCSA-N 1 1 294.355 1.436 20 5 CDBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930299808 812889623 /nfs/dbraw/zinc/88/96/23/812889623.db2.gz JFBGNKMMDPYPIH-MQYQWHSLSA-N 1 1 270.373 1.915 20 5 CDBDMO Cc1nn(C[N@H+](C)C[C@@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000107672237 812890202 /nfs/dbraw/zinc/89/02/02/812890202.db2.gz ZEDZXFMTVMDTPR-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCOC2)c(C)c1[N+](=O)[O-] ZINC000107672237 812890206 /nfs/dbraw/zinc/89/02/06/812890206.db2.gz ZEDZXFMTVMDTPR-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1noc(C[NH+]2CCC(C3OCCO3)CC2)c1[N+](=O)[O-] ZINC000851747460 813097297 /nfs/dbraw/zinc/09/72/97/813097297.db2.gz UDMXFKZFLUNOFZ-UHFFFAOYSA-N 1 1 297.311 1.476 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnnn1C ZINC000806659817 813134802 /nfs/dbraw/zinc/13/48/02/813134802.db2.gz GLOQUTRBHXGXRI-JTQLQIEISA-N 1 1 275.312 1.883 20 5 CDBDMO C[N@@H+]1CC=C(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800862404 813222376 /nfs/dbraw/zinc/22/23/76/813222376.db2.gz OUKJJCDKKMBSDM-UHFFFAOYSA-N 1 1 262.313 1.851 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000785726458 813523462 /nfs/dbraw/zinc/52/34/62/813523462.db2.gz DEEAABLAVOMELS-PHIMTYICSA-N 1 1 296.327 1.207 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000877569437 813813120 /nfs/dbraw/zinc/81/31/20/813813120.db2.gz QKNIPQZPCLBNDB-CYBMUJFWSA-N 1 1 277.324 1.661 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000877569437 813813121 /nfs/dbraw/zinc/81/31/21/813813121.db2.gz QKNIPQZPCLBNDB-CYBMUJFWSA-N 1 1 277.324 1.661 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173497532 814350168 /nfs/dbraw/zinc/35/01/68/814350168.db2.gz DSZFLLBRCCMCLC-NSHDSACASA-N 1 1 267.333 1.022 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000886218658 814386172 /nfs/dbraw/zinc/38/61/72/814386172.db2.gz ZZOQTXYPKBXQCF-LLVKDONJSA-N 1 1 265.313 1.584 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886816537 814606196 /nfs/dbraw/zinc/60/61/96/814606196.db2.gz VKDSAJRQFOYIMJ-DGCLKSJQSA-N 1 1 277.324 1.991 20 5 CDBDMO CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789061 814680023 /nfs/dbraw/zinc/68/00/23/814680023.db2.gz RPYPOZYIHLLWOC-CHWSQXEVSA-N 1 1 297.399 1.668 20 5 CDBDMO CC(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000675144 816866275 /nfs/dbraw/zinc/86/62/75/816866275.db2.gz RQQWTMCULGJBIG-CHWSQXEVSA-N 1 1 281.356 1.056 20 5 CDBDMO CC(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000675144 816866277 /nfs/dbraw/zinc/86/62/77/816866277.db2.gz RQQWTMCULGJBIG-CHWSQXEVSA-N 1 1 281.356 1.056 20 5 CDBDMO CC(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000675144 816866278 /nfs/dbraw/zinc/86/62/78/816866278.db2.gz RQQWTMCULGJBIG-CHWSQXEVSA-N 1 1 281.356 1.056 20 5 CDBDMO COCC[N@@H+](C)CCCNCc1cccc([N+](=O)[O-])c1C ZINC000873012959 817040148 /nfs/dbraw/zinc/04/01/48/817040148.db2.gz ZSXQQOPMBUBMFM-UHFFFAOYSA-N 1 1 295.383 1.961 20 5 CDBDMO COCCN(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873012959 817040179 /nfs/dbraw/zinc/04/01/79/817040179.db2.gz ZSXQQOPMBUBMFM-UHFFFAOYSA-N 1 1 295.383 1.961 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3COCCO3)c2c1 ZINC000865455758 817133392 /nfs/dbraw/zinc/13/33/92/817133392.db2.gz BDUDXYHMKPLFRR-LLVKDONJSA-N 1 1 289.291 1.392 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581127 817458664 /nfs/dbraw/zinc/45/86/64/817458664.db2.gz DYQMFUYMZAKVGN-MFKMUULPSA-N 1 1 250.298 1.970 20 5 CDBDMO CN(CCCCCC[NH3+])Cc1cn(C)nc1[N+](=O)[O-] ZINC000883441031 817618693 /nfs/dbraw/zinc/61/86/93/817618693.db2.gz GASDALSWEVBVLA-UHFFFAOYSA-N 1 1 269.349 1.279 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000800865931 817646188 /nfs/dbraw/zinc/64/61/88/817646188.db2.gz XNPGHDMVDITIGT-SNVBAGLBSA-N 1 1 273.296 1.800 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000882479097 817755526 /nfs/dbraw/zinc/75/55/26/817755526.db2.gz MQIOQEKOBPQMOI-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C)C1 ZINC001233979609 1167391823 /nfs/dbraw/zinc/39/18/23/1167391823.db2.gz ABEJQTYCXLFHLV-LBPRGKRZSA-N 1 1 280.324 1.597 20 5 CDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001339468441 1167484067 /nfs/dbraw/zinc/48/40/67/1167484067.db2.gz VHUQVFMXJSOHIW-JTQLQIEISA-N 1 1 296.375 1.166 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CN)CC2)c1F ZINC001173182008 912281575 /nfs/dbraw/zinc/28/15/75/912281575.db2.gz XWIWHXYRVNWRGZ-SECBINFHSA-N 1 1 297.330 1.754 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC(CO)C2)c1F ZINC001173189180 912286302 /nfs/dbraw/zinc/28/63/02/912286302.db2.gz JAIQYASPRGZGJL-VIFPVBQESA-N 1 1 298.314 1.598 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001173224408 912310408 /nfs/dbraw/zinc/31/04/08/912310408.db2.gz FLIPZLTVFRYQRU-ZLKJLUDKSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001173224408 912310426 /nfs/dbraw/zinc/31/04/26/912310426.db2.gz FLIPZLTVFRYQRU-ZLKJLUDKSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)C1 ZINC001173229278 912320699 /nfs/dbraw/zinc/32/06/99/912320699.db2.gz SFBIJCQKPUZOQU-GXFFZTMASA-N 1 1 250.298 1.592 20 5 CDBDMO CCOC(=O)c1cnc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167269969 895009004 /nfs/dbraw/zinc/00/90/04/895009004.db2.gz GOLZCXDLBGURLT-JTQLQIEISA-N 1 1 294.311 1.283 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109193 906046856 /nfs/dbraw/zinc/04/68/56/906046856.db2.gz SZXLOAPXYRIRHJ-VIFPVBQESA-N 1 1 282.256 1.371 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)C)C1 ZINC001168311711 908969630 /nfs/dbraw/zinc/96/96/30/908969630.db2.gz KNYUDSFZBASKEL-UHFFFAOYSA-N 1 1 266.301 1.503 20 5 CDBDMO CNc1c(C(=O)NC[C@@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000712599535 909571089 /nfs/dbraw/zinc/57/10/89/909571089.db2.gz ULXSXHUSANKAIX-VIFPVBQESA-N 1 1 278.312 1.070 20 5 CDBDMO CNc1c(C(=O)NC[C@@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000712599535 909571098 /nfs/dbraw/zinc/57/10/98/909571098.db2.gz ULXSXHUSANKAIX-VIFPVBQESA-N 1 1 278.312 1.070 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000160380203 909971161 /nfs/dbraw/zinc/97/11/61/909971161.db2.gz ITQQAIFBRKSOMS-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO Cc1noc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168996032 927603131 /nfs/dbraw/zinc/60/31/31/927603131.db2.gz UGZXGWSVSOXQQQ-VHSXEESVSA-N 1 1 266.301 1.402 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3nccn3CC2)C1 ZINC001169036573 927647136 /nfs/dbraw/zinc/64/71/36/927647136.db2.gz GSVSPCTUPHGUSE-RYUDHWBXSA-N 1 1 264.329 1.187 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)C1 ZINC001169039003 927650582 /nfs/dbraw/zinc/65/05/82/927650582.db2.gz MICJXDADPLHUSI-IJLUTSLNSA-N 1 1 290.310 1.932 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169052494 927670223 /nfs/dbraw/zinc/67/02/23/927670223.db2.gz GGJKJQQHOUOVLM-JHJVBQTASA-N 1 1 284.356 1.707 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000882484903 930011823 /nfs/dbraw/zinc/01/18/23/930011823.db2.gz NFPNVAAAXJLIBF-SNVBAGLBSA-N 1 1 281.287 1.558 20 5 CDBDMO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1C ZINC000817290470 930474015 /nfs/dbraw/zinc/47/40/15/930474015.db2.gz DAXOIYGRYNBXPO-GJZGRUSLSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159743914 930791473 /nfs/dbraw/zinc/79/14/73/930791473.db2.gz NOOCCCIQOIUNBV-QMMMGPOBSA-N 1 1 296.114 1.161 20 5 CDBDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930052500 933303951 /nfs/dbraw/zinc/30/39/51/933303951.db2.gz MVFXXPJIACMWNZ-NSHDSACASA-N 1 1 267.333 1.315 20 5 CDBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930052500 933303960 /nfs/dbraw/zinc/30/39/60/933303960.db2.gz MVFXXPJIACMWNZ-NSHDSACASA-N 1 1 267.333 1.315 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N2C=C(N)C=CC2)ncc1[N+](=O)[O-] ZINC001160884235 938837282 /nfs/dbraw/zinc/83/72/82/938837282.db2.gz PEFNWFIRBWJIII-FNORWQNLSA-N 1 1 287.323 1.698 20 5 CDBDMO Nc1nc(-n2cc(CC[NH3+])c3cnccc32)ccc1[N+](=O)[O-] ZINC001160950954 938848509 /nfs/dbraw/zinc/84/85/09/938848509.db2.gz WCDGGRSHNQKONU-UHFFFAOYSA-N 1 1 298.306 1.412 20 5 CDBDMO COc1cc(NC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001162690193 939120750 /nfs/dbraw/zinc/12/07/50/939120750.db2.gz UOVZTNKBCDOWCT-LBPRGKRZSA-N 1 1 295.339 1.654 20 5 CDBDMO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1C ZINC001162690193 939120755 /nfs/dbraw/zinc/12/07/55/939120755.db2.gz UOVZTNKBCDOWCT-LBPRGKRZSA-N 1 1 295.339 1.654 20 5 CDBDMO C[NH+](C)C=Cc1cc(N=C2CCOC2=O)ncc1[N+](=O)[O-] ZINC001162703452 939124118 /nfs/dbraw/zinc/12/41/18/939124118.db2.gz QAAXAEODJFOFPI-HWKANZROSA-N 1 1 290.279 1.375 20 5 CDBDMO CC[N@H+]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001163775319 939327830 /nfs/dbraw/zinc/32/78/30/939327830.db2.gz XRPSGPYQCDGTHP-UHFFFAOYSA-N 1 1 265.317 1.104 20 5 CDBDMO Cc1c(C)c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165146742 939518205 /nfs/dbraw/zinc/51/82/05/939518205.db2.gz BMYQKNSTVFCAMM-TXEJJXNPSA-N 1 1 276.340 1.604 20 5 CDBDMO Nc1cccc2[nH+]cn(-c3ccc([N+](=O)[O-])nc3)c21 ZINC001203571574 939693867 /nfs/dbraw/zinc/69/38/67/939693867.db2.gz MEFVEZHQLNTONA-UHFFFAOYSA-N 1 1 255.237 1.911 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)cc1O ZINC001218283675 941051196 /nfs/dbraw/zinc/05/11/96/941051196.db2.gz KHSWWXLPSLDFBU-MRVPVSSYSA-N 1 1 296.279 1.218 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1CCCC[N@H+]1C ZINC001224702563 941784801 /nfs/dbraw/zinc/78/48/01/941784801.db2.gz NLOVCUCUCQFITQ-YPMHNXCESA-N 1 1 296.371 1.989 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224704513 941784881 /nfs/dbraw/zinc/78/48/81/941784881.db2.gz AIONOOQRDHDSHV-MNOVXSKESA-N 1 1 296.327 1.053 20 5 CDBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)nc1 ZINC001225633583 941892078 /nfs/dbraw/zinc/89/20/78/941892078.db2.gz QQVZPFAVZPPDEQ-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228684953 942356576 /nfs/dbraw/zinc/35/65/76/942356576.db2.gz CDEYBKUWRIFIMZ-VIFPVBQESA-N 1 1 267.285 1.477 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])c(C)cc2O)C1 ZINC001229752587 942526381 /nfs/dbraw/zinc/52/63/81/942526381.db2.gz CAANZJPYHPVTSS-LLVKDONJSA-N 1 1 296.323 1.708 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230449 942592320 /nfs/dbraw/zinc/59/23/20/942592320.db2.gz RIBRPEQYZFKIOX-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001254550402 947519858 /nfs/dbraw/zinc/51/98/58/947519858.db2.gz JALCWKFRAFAJDN-WCQYABFASA-N 1 1 291.351 1.723 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC001254550282 947521307 /nfs/dbraw/zinc/52/13/07/947521307.db2.gz HETOKGBURICMRX-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO CNC(=O)C[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552578 947521496 /nfs/dbraw/zinc/52/14/96/947521496.db2.gz MZQDAQDOSBGCDO-SNVBAGLBSA-N 1 1 265.313 1.204 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552578 947521509 /nfs/dbraw/zinc/52/15/09/947521509.db2.gz MZQDAQDOSBGCDO-SNVBAGLBSA-N 1 1 265.313 1.204 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001254550442 947521565 /nfs/dbraw/zinc/52/15/65/947521565.db2.gz JUEQFELLNAANRG-UHTWSYAYSA-N 1 1 282.315 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C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408068028 357803354 /nfs/dbraw/zinc/80/33/54/357803354.db2.gz QTGLNABTTFOXLY-IUCAKERBSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408068028 357803358 /nfs/dbraw/zinc/80/33/58/357803358.db2.gz QTGLNABTTFOXLY-IUCAKERBSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408068029 357803610 /nfs/dbraw/zinc/80/36/10/357803610.db2.gz QTGLNABTTFOXLY-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408068029 357803615 /nfs/dbraw/zinc/80/36/15/357803615.db2.gz QTGLNABTTFOXLY-RKDXNWHRSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176251376 358751165 /nfs/dbraw/zinc/75/11/65/358751165.db2.gz WJWLSMPSXFVERA-VIFPVBQESA-N 1 1 256.331 1.229 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159447651 359301773 /nfs/dbraw/zinc/30/17/73/359301773.db2.gz WOHAONYOXBLNIH-GWCFXTLKSA-N 1 1 250.298 1.798 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)N1CCN(C)CC1 ZINC000112079719 359283567 /nfs/dbraw/zinc/28/35/67/359283567.db2.gz SJUVMHSDEIBSQO-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000339631221 359419965 /nfs/dbraw/zinc/41/99/65/359419965.db2.gz RONHFJNYCBTNMQ-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1nn(C)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000265131583 359531988 /nfs/dbraw/zinc/53/19/88/359531988.db2.gz NGWXFDRIBWRWRJ-JTQLQIEISA-N 1 1 290.327 1.744 20 5 CDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340225151 359612190 /nfs/dbraw/zinc/61/21/90/359612190.db2.gz GPKJKKYAXJMTSR-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO CC[C@]1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613482 359760086 /nfs/dbraw/zinc/76/00/86/359760086.db2.gz KJRFLYNEIIOZQZ-CQSZACIVSA-N 1 1 295.339 1.257 20 5 CDBDMO CC[C@]1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613482 359760092 /nfs/dbraw/zinc/76/00/92/359760092.db2.gz KJRFLYNEIIOZQZ-CQSZACIVSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267367106 360452303 /nfs/dbraw/zinc/45/23/03/360452303.db2.gz QXJFBTCYMHPALQ-GFCCVEGCSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267367106 360452310 /nfs/dbraw/zinc/45/23/10/360452310.db2.gz QXJFBTCYMHPALQ-GFCCVEGCSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000301756673 201180285 /nfs/dbraw/zinc/18/02/85/201180285.db2.gz LAOWZXTVKATHSP-MFKMUULPSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301756673 201180289 /nfs/dbraw/zinc/18/02/89/201180289.db2.gz LAOWZXTVKATHSP-MFKMUULPSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367669434 364042831 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O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000090360436 367033651 /nfs/dbraw/zinc/03/36/51/367033651.db2.gz ZKZCYXIDLUYFPK-JTQLQIEISA-N 1 1 295.295 1.707 20 5 CDBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660680 203091233 /nfs/dbraw/zinc/09/12/33/203091233.db2.gz QYONVYIAOVNYRB-NQBHXWOUSA-N 1 1 282.344 1.415 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330889054 203355175 /nfs/dbraw/zinc/35/51/75/203355175.db2.gz BBHKBXVYUTUDFE-WCQYABFASA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295309640 369920725 /nfs/dbraw/zinc/92/07/25/369920725.db2.gz VXZLGQXCWSRANR-AWEZNQCLSA-N 1 1 295.314 1.297 20 5 CDBDMO COCCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269650595 373293501 /nfs/dbraw/zinc/29/35/01/373293501.db2.gz MKFSQVKPTSYEDX-CYBMUJFWSA-N 1 1 268.313 1.597 20 5 CDBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000301275876 373282517 /nfs/dbraw/zinc/28/25/17/373282517.db2.gz KXORZKPAZFRESW-UHFFFAOYSA-N 1 1 269.349 1.779 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330541851 373698306 /nfs/dbraw/zinc/69/83/06/373698306.db2.gz AEJUOXBKUYHJIY-LLVKDONJSA-N 1 1 294.355 1.395 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000277474033 374183909 /nfs/dbraw/zinc/18/39/09/374183909.db2.gz IDVIAKCIEJTLQK-JTQLQIEISA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474033 374183921 /nfs/dbraw/zinc/18/39/21/374183921.db2.gz IDVIAKCIEJTLQK-JTQLQIEISA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474033 374183929 /nfs/dbraw/zinc/18/39/29/374183929.db2.gz IDVIAKCIEJTLQK-JTQLQIEISA-N 1 1 293.327 1.065 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](O)C1 ZINC000113503419 374260726 /nfs/dbraw/zinc/26/07/26/374260726.db2.gz ITPSGGSXDCVQBM-JTQLQIEISA-N 1 1 252.270 1.040 20 5 CDBDMO C[C@H]1[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC12CCOCC2 ZINC000368834064 374331770 /nfs/dbraw/zinc/33/17/70/374331770.db2.gz MDJRNTFPPDYGRK-GFCCVEGCSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369429791 374352996 /nfs/dbraw/zinc/35/29/96/374352996.db2.gz WZSCQBSKVYXFGN-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000275139518 374689483 /nfs/dbraw/zinc/68/94/83/374689483.db2.gz LEDJTRWQEZANJZ-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154827306 374760058 /nfs/dbraw/zinc/76/00/58/374760058.db2.gz OIBOHHYLMCJLKU-GWCFXTLKSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154827306 374760062 /nfs/dbraw/zinc/76/00/62/374760062.db2.gz OIBOHHYLMCJLKU-GWCFXTLKSA-N 1 1 265.313 1.726 20 5 CDBDMO CS[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331333376 374931023 /nfs/dbraw/zinc/93/10/23/374931023.db2.gz PKTWMXZQLYFNAW-JTQLQIEISA-N 1 1 256.331 1.229 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3CO)nc2c1 ZINC000331487261 374963822 /nfs/dbraw/zinc/96/38/22/374963822.db2.gz MKILYINFQSMQIV-SNVBAGLBSA-N 1 1 276.296 1.428 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3CO)nc2c1 ZINC000331487261 374963828 /nfs/dbraw/zinc/96/38/28/374963828.db2.gz MKILYINFQSMQIV-SNVBAGLBSA-N 1 1 276.296 1.428 20 5 CDBDMO CN(C)C[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658211 375041310 /nfs/dbraw/zinc/04/13/10/375041310.db2.gz ANYMILRONJOGMK-HIFRSBDPSA-N 1 1 293.367 1.484 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299517436 375178351 /nfs/dbraw/zinc/17/83/51/375178351.db2.gz PNYZVIOFFJHCOH-NSHDSACASA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299517436 375178355 /nfs/dbraw/zinc/17/83/55/375178355.db2.gz PNYZVIOFFJHCOH-NSHDSACASA-N 1 1 263.297 1.936 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000131240809 375198271 /nfs/dbraw/zinc/19/82/71/375198271.db2.gz FSWYJPQZIVIPHR-VIFPVBQESA-N 1 1 282.296 1.274 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000131240809 375198276 /nfs/dbraw/zinc/19/82/76/375198276.db2.gz FSWYJPQZIVIPHR-VIFPVBQESA-N 1 1 282.296 1.274 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CO)C1 ZINC000304298393 375426956 /nfs/dbraw/zinc/42/69/56/375426956.db2.gz NZOOTXREBVIXDC-SECBINFHSA-N 1 1 254.261 1.548 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000304298393 375426959 /nfs/dbraw/zinc/42/69/59/375426959.db2.gz NZOOTXREBVIXDC-SECBINFHSA-N 1 1 254.261 1.548 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344932048 375665108 /nfs/dbraw/zinc/66/51/08/375665108.db2.gz ADJSZRNLPWUFFF-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356787890 375861063 /nfs/dbraw/zinc/86/10/63/375861063.db2.gz XAINESOXYHMPJT-VIFPVBQESA-N 1 1 297.359 1.095 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000347590062 376562724 /nfs/dbraw/zinc/56/27/24/376562724.db2.gz LXZQBJYONMXODR-NXEZZACHSA-N 1 1 252.318 1.806 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296671028 376702659 /nfs/dbraw/zinc/70/26/59/376702659.db2.gz KTEBWUSSBCAHAO-GFCCVEGCSA-N 1 1 268.317 1.150 20 5 CDBDMO COC[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471491 378455792 /nfs/dbraw/zinc/45/57/92/378455792.db2.gz FMGHKPPUDMGZHS-MNOVXSKESA-N 1 1 280.328 1.511 20 5 CDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173665702 378843161 /nfs/dbraw/zinc/84/31/61/378843161.db2.gz YOZVUXOEZUKSHK-NSHDSACASA-N 1 1 296.323 1.439 20 5 CDBDMO Cc1ncc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174823110 379586961 /nfs/dbraw/zinc/58/69/61/379586961.db2.gz ZOCKQXFBQJDKGY-UHFFFAOYSA-N 1 1 281.341 1.688 20 5 CDBDMO Cc1ncc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174823110 379586973 /nfs/dbraw/zinc/58/69/73/379586973.db2.gz 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ZINC000281632150 195314946 /nfs/dbraw/zinc/31/49/46/195314946.db2.gz IJMISLUKHYVSLH-WDEREUQCSA-N 1 1 268.317 1.291 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000574398009 391127646 /nfs/dbraw/zinc/12/76/46/391127646.db2.gz YBSYXWREBVUUCK-LBPRGKRZSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2C2CCC2)n1 ZINC000574398009 391127650 /nfs/dbraw/zinc/12/76/50/391127650.db2.gz YBSYXWREBVUUCK-LBPRGKRZSA-N 1 1 280.328 1.292 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000438976947 391362166 /nfs/dbraw/zinc/36/21/66/391362166.db2.gz USKZPCWGJAIOIK-LLVKDONJSA-N 1 1 291.351 1.608 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000438976947 391362168 /nfs/dbraw/zinc/36/21/68/391362168.db2.gz USKZPCWGJAIOIK-LLVKDONJSA-N 1 1 291.351 1.608 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cn[nH]c1)CC2 ZINC000459337382 391651760 /nfs/dbraw/zinc/65/17/60/391651760.db2.gz DDVJSFSVJGPDGR-UHFFFAOYSA-N 1 1 272.308 1.919 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957031 131369081 /nfs/dbraw/zinc/36/90/81/131369081.db2.gz MMEHOIUJDRFNHO-ZJUUUORDSA-N 1 1 294.359 1.499 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548929392 392515865 /nfs/dbraw/zinc/51/58/65/392515865.db2.gz UVRMUGUGZJDQTD-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194555555 392790475 /nfs/dbraw/zinc/79/04/75/392790475.db2.gz JCOHEBRDDIUOKJ-UHFFFAOYSA-N 1 1 295.339 1.211 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699672 392942365 /nfs/dbraw/zinc/94/23/65/392942365.db2.gz BTYAEYMGOPOSDV-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430225712 393095550 /nfs/dbraw/zinc/09/55/50/393095550.db2.gz MPOXTNDPTYSPKB-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO C[C@](CN)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430559935 393100820 /nfs/dbraw/zinc/10/08/20/393100820.db2.gz URGZDUDAOCCSPY-CQSZACIVSA-N 1 1 279.340 1.691 20 5 CDBDMO C[C@](C[NH3+])(NCCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430559935 393100828 /nfs/dbraw/zinc/10/08/28/393100828.db2.gz URGZDUDAOCCSPY-CQSZACIVSA-N 1 1 279.340 1.691 20 5 CDBDMO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)CN)cccc1[N+](=O)[O-] ZINC000430942759 393107547 /nfs/dbraw/zinc/10/75/47/393107547.db2.gz DYDZXDWWOICBKS-JTQLQIEISA-N 1 1 294.355 1.511 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)CN)cccc1[N+](=O)[O-] ZINC000430942759 393107558 /nfs/dbraw/zinc/10/75/58/393107558.db2.gz DYDZXDWWOICBKS-JTQLQIEISA-N 1 1 294.355 1.511 20 5 CDBDMO CC(C)[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446732359 393113210 /nfs/dbraw/zinc/11/32/10/393113210.db2.gz QUALMUQMKIFHKM-JTQLQIEISA-N 1 1 252.318 1.806 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncn(C)n1 ZINC000449215873 393131120 /nfs/dbraw/zinc/13/11/20/393131120.db2.gz PBHCEXLQDBCBOW-SNVBAGLBSA-N 1 1 275.312 1.444 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252883934 140329451 /nfs/dbraw/zinc/32/94/51/140329451.db2.gz VTZZUTQYCKSSBA-BPNCWPANSA-N 1 1 292.335 1.806 20 5 CDBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261596491 140360335 /nfs/dbraw/zinc/36/03/35/140360335.db2.gz AGUMTOSXKQWNQO-OAHLLOKOSA-N 1 1 290.367 1.074 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000176213419 148028629 /nfs/dbraw/zinc/02/86/29/148028629.db2.gz PKIBTCJTQFIPNQ-LLVKDONJSA-N 1 1 290.327 1.394 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352665604 155337585 /nfs/dbraw/zinc/33/75/85/155337585.db2.gz FTWWAAKYSUNIRL-AAEUAGOBSA-N 1 1 280.324 1.819 20 5 CDBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000355525135 157099017 /nfs/dbraw/zinc/09/90/17/157099017.db2.gz UVMMCMKPEOUGPE-UHFFFAOYSA-N 1 1 289.335 1.977 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362328515 159121655 /nfs/dbraw/zinc/12/16/55/159121655.db2.gz SPIXGODMMJKCGM-WPRPVWTQSA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362328515 159121656 /nfs/dbraw/zinc/12/16/56/159121656.db2.gz SPIXGODMMJKCGM-WPRPVWTQSA-N 1 1 284.287 1.698 20 5 CDBDMO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000362662929 159207285 /nfs/dbraw/zinc/20/72/85/159207285.db2.gz KAFROIJPVSRGPB-GFCCVEGCSA-N 1 1 280.328 1.513 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000362662929 159207287 /nfs/dbraw/zinc/20/72/87/159207287.db2.gz KAFROIJPVSRGPB-GFCCVEGCSA-N 1 1 280.328 1.513 20 5 CDBDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980687 159283217 /nfs/dbraw/zinc/28/32/17/159283217.db2.gz QUTWWGVKCLBHKQ-GVXVVHGQSA-N 1 1 291.351 1.970 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007617 159288916 /nfs/dbraw/zinc/28/89/16/159288916.db2.gz LLCDZANLYLKSAE-NXEZZACHSA-N 1 1 279.296 1.544 20 5 CDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284319793 196029665 /nfs/dbraw/zinc/02/96/65/196029665.db2.gz AYCDDYYFCHXWRH-CABCVRRESA-N 1 1 291.351 1.500 20 5 CDBDMO Cc1ccc(CNC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038087578 174099457 /nfs/dbraw/zinc/09/94/57/174099457.db2.gz WGGJPUKUMMFLLA-NSHDSACASA-N 1 1 251.330 1.943 20 5 CDBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723317 177375926 /nfs/dbraw/zinc/37/59/26/177375926.db2.gz ZUFBBMXSONLZDT-VIFPVBQESA-N 1 1 277.324 1.924 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804666 262366798 /nfs/dbraw/zinc/36/67/98/262366798.db2.gz IJVLKWYTKFSVDW-LLVKDONJSA-N 1 1 277.324 1.666 20 5 CDBDMO CCCC[N@@H+](CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049800338 424447254 /nfs/dbraw/zinc/44/72/54/424447254.db2.gz RFDUVAGQJYZGGY-UHFFFAOYSA-N 1 1 270.333 1.194 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000278716440 274118196 /nfs/dbraw/zinc/11/81/96/274118196.db2.gz JRYFMHYVUHKXHW-PHIMTYICSA-N 1 1 277.324 1.601 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234262 /nfs/dbraw/zinc/23/42/62/276234262.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 1 1 293.371 1.350 20 5 CDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234263 /nfs/dbraw/zinc/23/42/63/276234263.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 1 1 293.371 1.350 20 5 CDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000177308311 276234265 /nfs/dbraw/zinc/23/42/65/276234265.db2.gz BXPQFMIVQQBACM-OLZOCXBDSA-N 1 1 293.371 1.350 20 5 CDBDMO Cc1[nH]nc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000424084233 280189241 /nfs/dbraw/zinc/18/92/41/280189241.db2.gz YPPYBUKFTDOABF-MRTMQBJTSA-N 1 1 295.343 1.072 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000064569668 521151757 /nfs/dbraw/zinc/15/17/57/521151757.db2.gz BKHPKGPTTFJOKT-UHFFFAOYSA-N 1 1 296.323 1.859 20 5 CDBDMO CNC(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000067711207 521847540 /nfs/dbraw/zinc/84/75/40/521847540.db2.gz HHTPRIMZNNGVIK-UHFFFAOYSA-N 1 1 292.339 1.461 20 5 CDBDMO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184234384 522374847 /nfs/dbraw/zinc/37/48/47/522374847.db2.gz WAKDYMBTLHVPHU-SNVBAGLBSA-N 1 1 298.314 1.947 20 5 CDBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000184234384 522374856 /nfs/dbraw/zinc/37/48/56/522374856.db2.gz WAKDYMBTLHVPHU-SNVBAGLBSA-N 1 1 298.314 1.947 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+](C)C1CC1 ZINC000340727083 524713719 /nfs/dbraw/zinc/71/37/19/524713719.db2.gz OJOSXIZZHGESRM-QMMMGPOBSA-N 1 1 266.301 1.135 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000052812810 525577961 /nfs/dbraw/zinc/57/79/61/525577961.db2.gz AKWUXRGVMYAMQD-JTQLQIEISA-N 1 1 262.313 1.947 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157341153 528821864 /nfs/dbraw/zinc/82/18/64/528821864.db2.gz CNSCBEXFUWIORN-UHFFFAOYSA-N 1 1 280.328 1.247 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000263945628 535003073 /nfs/dbraw/zinc/00/30/73/535003073.db2.gz GRUPJVBIVRNBOF-UHFFFAOYSA-N 1 1 268.321 1.109 20 5 CDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738081466 576036878 /nfs/dbraw/zinc/03/68/78/576036878.db2.gz LAJHJDUBJTZMPE-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000741754827 576571281 /nfs/dbraw/zinc/57/12/81/576571281.db2.gz XWWXTLZWRNHRMD-GFCCVEGCSA-N 1 1 296.327 1.019 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000741754827 576571283 /nfs/dbraw/zinc/57/12/83/576571283.db2.gz XWWXTLZWRNHRMD-GFCCVEGCSA-N 1 1 296.327 1.019 20 5 CDBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000750049149 576973706 /nfs/dbraw/zinc/97/37/06/576973706.db2.gz UWZFQDGEGBSPQS-UHFFFAOYSA-N 1 1 281.287 1.622 20 5 CDBDMO CC[N@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000812301737 617269327 /nfs/dbraw/zinc/26/93/27/617269327.db2.gz LJHCLIROZQUTGZ-VIFPVBQESA-N 1 1 256.306 1.414 20 5 CDBDMO CC[N@@H+](C[C@H](C)OC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000812301737 617269329 /nfs/dbraw/zinc/26/93/29/617269329.db2.gz LJHCLIROZQUTGZ-VIFPVBQESA-N 1 1 256.306 1.414 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892081188 617468429 /nfs/dbraw/zinc/46/84/29/617468429.db2.gz VRSZLUFLSPRVKV-JTQLQIEISA-N 1 1 267.333 1.471 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000892970715 618004465 /nfs/dbraw/zinc/00/44/65/618004465.db2.gz KBUOXSVFUPCWRQ-SNVBAGLBSA-N 1 1 280.328 1.529 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928244978 618599015 /nfs/dbraw/zinc/59/90/15/618599015.db2.gz IEMWLDVLRRHXPF-SNVBAGLBSA-N 1 1 288.307 1.977 20 5 CDBDMO C[C@@H]1CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971448 627061209 /nfs/dbraw/zinc/06/12/09/627061209.db2.gz BKIQQPBIZSJTCQ-ZYHUDNBSSA-N 1 1 266.297 1.429 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2ccnc2[N+](=O)[O-])C1 ZINC000918386791 632365705 /nfs/dbraw/zinc/36/57/05/632365705.db2.gz KLMLWCKBHLDJRJ-PHIMTYICSA-N 1 1 252.318 1.769 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794968123 1164841403 /nfs/dbraw/zinc/84/14/03/1164841403.db2.gz OKCYCFDLLZFSQV-ITGUQSILSA-N 1 1 276.292 1.446 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794968123 1164841407 /nfs/dbraw/zinc/84/14/07/1164841407.db2.gz OKCYCFDLLZFSQV-ITGUQSILSA-N 1 1 276.292 1.446 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164638647 719199116 /nfs/dbraw/zinc/19/91/16/719199116.db2.gz RBPUQQOWCPBQLD-BDAKNGLRSA-N 1 1 295.343 1.231 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164638647 719199124 /nfs/dbraw/zinc/19/91/24/719199124.db2.gz RBPUQQOWCPBQLD-BDAKNGLRSA-N 1 1 295.343 1.231 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000153150231 719372071 /nfs/dbraw/zinc/37/20/71/719372071.db2.gz LTKOXILMHHCEGG-WDEREUQCSA-N 1 1 298.730 1.162 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2COCC[NH2+]2)cc1Cl ZINC000863649381 818666196 /nfs/dbraw/zinc/66/61/96/818666196.db2.gz CPHHMIBTOLCVJO-JTQLQIEISA-N 1 1 285.731 1.326 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000886086540 818718108 /nfs/dbraw/zinc/71/81/08/818718108.db2.gz KLGQLIXTQREXBJ-CMPLNLGQSA-N 1 1 265.313 1.583 20 5 CDBDMO C[NH+](C)CC(C)(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839094137 818838270 /nfs/dbraw/zinc/83/82/70/818838270.db2.gz RKNGTLMFOSMJTN-ZDUSSCGKSA-N 1 1 281.356 1.558 20 5 CDBDMO Cc1nn(C[N@@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000863297380 818856732 /nfs/dbraw/zinc/85/67/32/818856732.db2.gz ZLMIQKIDOAWXTL-UHFFFAOYSA-N 1 1 254.290 1.026 20 5 CDBDMO Cc1nn(C[N@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000863297380 818856740 /nfs/dbraw/zinc/85/67/40/818856740.db2.gz ZLMIQKIDOAWXTL-UHFFFAOYSA-N 1 1 254.290 1.026 20 5 CDBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)CC1(C)COC1 ZINC000863299454 818879699 /nfs/dbraw/zinc/87/96/99/818879699.db2.gz KZERKHFXSQJVDM-UHFFFAOYSA-N 1 1 290.323 1.870 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cnnc1 ZINC000800865483 818918776 /nfs/dbraw/zinc/91/87/76/818918776.db2.gz DOXBRNDIMKQFPN-UHFFFAOYSA-N 1 1 261.285 1.318 20 5 CDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879187695 819039400 /nfs/dbraw/zinc/03/94/00/819039400.db2.gz BBIMBNJUNRITDW-AWEZNQCLSA-N 1 1 290.323 1.792 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000930623559 819221202 /nfs/dbraw/zinc/22/12/02/819221202.db2.gz WBROXFJGSAKRBK-UHFFFAOYSA-N 1 1 273.333 1.251 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719109870 819406669 /nfs/dbraw/zinc/40/66/69/819406669.db2.gz RJNJIDQYDOWDKE-JTQLQIEISA-N 1 1 296.298 1.929 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000931707266 819468749 /nfs/dbraw/zinc/46/87/49/819468749.db2.gz AZQZTGCFSSRCND-GHMZBOCLSA-N 1 1 292.257 1.387 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000886212590 819652247 /nfs/dbraw/zinc/65/22/47/819652247.db2.gz ARRGYYRNPCMTDI-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000886212590 819652253 /nfs/dbraw/zinc/65/22/53/819652253.db2.gz ARRGYYRNPCMTDI-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO COCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCCC1 ZINC000779858707 819817008 /nfs/dbraw/zinc/81/70/08/819817008.db2.gz DLILXIXDNVVXNP-UHFFFAOYSA-N 1 1 282.344 1.948 20 5 CDBDMO COCC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCCC1 ZINC000779858707 819817015 /nfs/dbraw/zinc/81/70/15/819817015.db2.gz DLILXIXDNVVXNP-UHFFFAOYSA-N 1 1 282.344 1.948 20 5 CDBDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930383045 819834407 /nfs/dbraw/zinc/83/44/07/819834407.db2.gz YZWNTKLOGUWYHS-JTQLQIEISA-N 1 1 286.353 1.408 20 5 CDBDMO C[NH+](C)CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839685222 820351413 /nfs/dbraw/zinc/35/14/13/820351413.db2.gz PBBPIBBDSZYSBN-MXWKQRLJSA-N 1 1 271.361 1.134 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000312429282 820372954 /nfs/dbraw/zinc/37/29/54/820372954.db2.gz LQFIUPUBBSXKNJ-UHFFFAOYSA-N 1 1 292.324 1.921 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570583 820390268 /nfs/dbraw/zinc/39/02/68/820390268.db2.gz WOWUAHGWOORFEA-JTQLQIEISA-N 1 1 295.364 1.507 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570583 820390289 /nfs/dbraw/zinc/39/02/89/820390289.db2.gz WOWUAHGWOORFEA-JTQLQIEISA-N 1 1 295.364 1.507 20 5 CDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886164536 820611643 /nfs/dbraw/zinc/61/16/43/820611643.db2.gz NBMRNXUXYFYHTA-KOLCDFICSA-N 1 1 279.296 1.373 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886164536 820611680 /nfs/dbraw/zinc/61/16/80/820611680.db2.gz NBMRNXUXYFYHTA-KOLCDFICSA-N 1 1 279.296 1.373 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@]1(C)CO ZINC000886286008 820806240 /nfs/dbraw/zinc/80/62/40/820806240.db2.gz YQCCFVRTKZPXGD-ZWNOBZJWSA-N 1 1 265.313 1.440 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000880298963 820814689 /nfs/dbraw/zinc/81/46/89/820814689.db2.gz MNSWBGDMWHYZML-ZWNOBZJWSA-N 1 1 268.288 1.920 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810840519 820829842 /nfs/dbraw/zinc/82/98/42/820829842.db2.gz HIMRDYIXDAVNTL-PWSUYJOCSA-N 1 1 293.323 1.717 20 5 CDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923371515 821816437 /nfs/dbraw/zinc/81/64/37/821816437.db2.gz XWDQJHRXIPGGBQ-KBPBESRZSA-N 1 1 293.367 1.606 20 5 CDBDMO C[C@H]1CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800867013 822000355 /nfs/dbraw/zinc/00/03/55/822000355.db2.gz YJYFSJHRVUQFJK-LBPRGKRZSA-N 1 1 291.351 1.895 20 5 CDBDMO C[C@H]1CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800867013 822000364 /nfs/dbraw/zinc/00/03/64/822000364.db2.gz YJYFSJHRVUQFJK-LBPRGKRZSA-N 1 1 291.351 1.895 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618781 822305167 /nfs/dbraw/zinc/30/51/67/822305167.db2.gz RZIMVPMCMAMLIT-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000831618781 822305176 /nfs/dbraw/zinc/30/51/76/822305176.db2.gz RZIMVPMCMAMLIT-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886087626 822382230 /nfs/dbraw/zinc/38/22/30/822382230.db2.gz XQDKZYOIGSLZTE-NSHDSACASA-N 1 1 264.329 1.516 20 5 CDBDMO CCC[N@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000929252028 822432598 /nfs/dbraw/zinc/43/25/98/822432598.db2.gz PTGCJJBOEWDTNE-GFCCVEGCSA-N 1 1 280.324 1.815 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000929252028 822432620 /nfs/dbraw/zinc/43/26/20/822432620.db2.gz PTGCJJBOEWDTNE-GFCCVEGCSA-N 1 1 280.324 1.815 20 5 CDBDMO CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000867953078 822523400 /nfs/dbraw/zinc/52/34/00/822523400.db2.gz MSQVTGCIFLYWGD-CQSZACIVSA-N 1 1 277.324 1.780 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2cnnc2C1 ZINC001173223591 912312989 /nfs/dbraw/zinc/31/29/89/912312989.db2.gz BHDLJOOUMVMNMB-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2cnnc2C1 ZINC001173223591 912313013 /nfs/dbraw/zinc/31/30/13/912313013.db2.gz BHDLJOOUMVMNMB-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233750816 913024123 /nfs/dbraw/zinc/02/41/23/913024123.db2.gz OJTCTRBNPDTTPX-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO C[S@](=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000828081428 936362538 /nfs/dbraw/zinc/36/25/38/936362538.db2.gz XZKUAKJWWNCHAM-IBGZPJMESA-N 1 1 282.365 1.938 20 5 CDBDMO C[S@](=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000828081428 936362541 /nfs/dbraw/zinc/36/25/41/936362541.db2.gz XZKUAKJWWNCHAM-IBGZPJMESA-N 1 1 282.365 1.938 20 5 CDBDMO O=C(NCC1=CC[N@@H+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672891 936537763 /nfs/dbraw/zinc/53/77/63/936537763.db2.gz AUUZECQIFFDEKH-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCC1=CC[N@H+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672891 936537766 /nfs/dbraw/zinc/53/77/66/936537766.db2.gz AUUZECQIFFDEKH-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCC1=CC[N@@H+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672891 936537769 /nfs/dbraw/zinc/53/77/69/936537769.db2.gz AUUZECQIFFDEKH-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001168754541 922593778 /nfs/dbraw/zinc/59/37/78/922593778.db2.gz QFUXLPNPFOBXNX-UHFFFAOYSA-N 1 1 287.201 1.653 20 5 CDBDMO CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540378 936986041 /nfs/dbraw/zinc/98/60/41/936986041.db2.gz DSQQBONTZRXCAG-CHWSQXEVSA-N 1 1 297.399 1.526 20 5 CDBDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034910 927642181 /nfs/dbraw/zinc/64/21/81/927642181.db2.gz IMWALRUNSNFAET-QNWHQSFQSA-N 1 1 253.346 1.210 20 5 CDBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169035570 927644697 /nfs/dbraw/zinc/64/46/97/927644697.db2.gz CECHWVIVKOCXIH-OBPIAQAESA-N 1 1 282.340 1.173 20 5 CDBDMO CC(C)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036993 927648113 /nfs/dbraw/zinc/64/81/13/927648113.db2.gz HUOAMXGRFNODOW-UPJWGTAASA-N 1 1 256.346 1.789 20 5 CDBDMO COCCC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038467 927649904 /nfs/dbraw/zinc/64/99/04/927649904.db2.gz YXXORFKHLHJEOI-UONOGXRCSA-N 1 1 285.388 1.086 20 5 CDBDMO CN1CC2(C1)CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169044638 927656783 /nfs/dbraw/zinc/65/67/83/927656783.db2.gz INCHBZCYXBWOSD-NEPJUHHUSA-N 1 1 253.346 1.069 20 5 CDBDMO Cn1cnc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047609 927666383 /nfs/dbraw/zinc/66/63/83/927666383.db2.gz RPBWWCWUXTYCLJ-WDEREUQCSA-N 1 1 264.329 1.224 20 5 CDBDMO CC[N@H+](CCCN(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046729 927667072 /nfs/dbraw/zinc/66/70/72/927667072.db2.gz MIQDLCCBGQKLJV-QWHCGFSZSA-N 1 1 257.378 1.705 20 5 CDBDMO CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046729 927667075 /nfs/dbraw/zinc/66/70/75/927667075.db2.gz MIQDLCCBGQKLJV-QWHCGFSZSA-N 1 1 257.378 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cnccn3)C2)C1 ZINC001169052446 927668303 /nfs/dbraw/zinc/66/83/03/927668303.db2.gz FXVPMPAWFGRZRO-FRRDWIJNSA-N 1 1 292.339 1.375 20 5 CDBDMO Cc1nc2c(o1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055885 927671768 /nfs/dbraw/zinc/67/17/68/927671768.db2.gz QYRUFNPYUUNCCS-QWRGUYRKSA-N 1 1 265.313 1.787 20 5 CDBDMO Cc1nc2c(o1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169055885 927671773 /nfs/dbraw/zinc/67/17/73/927671773.db2.gz QYRUFNPYUUNCCS-QWRGUYRKSA-N 1 1 265.313 1.787 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000776590220 927782533 /nfs/dbraw/zinc/78/25/33/927782533.db2.gz DEZFTZDLLACYRF-CQSZACIVSA-N 1 1 294.351 1.865 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170896232 930690597 /nfs/dbraw/zinc/69/05/97/930690597.db2.gz CWTLGFWMKQZCMW-GFCCVEGCSA-N 1 1 279.344 1.304 20 5 CDBDMO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058578 930752487 /nfs/dbraw/zinc/75/24/87/930752487.db2.gz MTXNFAJGNLIGFY-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCC1 ZINC000821211017 931021297 /nfs/dbraw/zinc/02/12/97/931021297.db2.gz CLSLJVPOKKDADM-UHFFFAOYSA-N 1 1 277.324 1.647 20 5 CDBDMO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930510254 933390996 /nfs/dbraw/zinc/39/09/96/933390996.db2.gz QOJKCOOFCXVROZ-LLVKDONJSA-N 1 1 271.317 1.006 20 5 CDBDMO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930510254 933390999 /nfs/dbraw/zinc/39/09/99/933390999.db2.gz QOJKCOOFCXVROZ-LLVKDONJSA-N 1 1 271.317 1.006 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001120896078 937845558 /nfs/dbraw/zinc/84/55/58/937845558.db2.gz HYTKEYFELOBYLH-JTQLQIEISA-N 1 1 279.344 1.858 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156580250 938387805 /nfs/dbraw/zinc/38/78/05/938387805.db2.gz IYCVNOPHCFPFTB-ZETCQYMHSA-N 1 1 271.708 1.463 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001157021583 938446385 /nfs/dbraw/zinc/44/63/85/938446385.db2.gz ORUZYSTZCNRKHV-GFCCVEGCSA-N 1 1 294.355 1.456 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]21 ZINC001157260583 938471303 /nfs/dbraw/zinc/47/13/03/938471303.db2.gz LETKSEGTNQGORK-PSASIEDQSA-N 1 1 297.746 1.569 20 5 CDBDMO Cc1nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283240 938474809 /nfs/dbraw/zinc/47/48/09/938474809.db2.gz TVSDMFGHMOOIET-CMPLNLGQSA-N 1 1 277.328 1.224 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001157692937 938533301 /nfs/dbraw/zinc/53/33/01/938533301.db2.gz ZQNPKVWNMXMFGP-TXEJJXNPSA-N 1 1 276.340 1.768 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001159787855 938753581 /nfs/dbraw/zinc/75/35/81/938753581.db2.gz CBCKEORTWISQBI-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO CC[C@H](CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163044483 939183796 /nfs/dbraw/zinc/18/37/96/939183796.db2.gz BJFADDLRUQRGFO-MVIFTORASA-N 1 1 280.328 1.705 20 5 CDBDMO CC[N@@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225489075 941869252 /nfs/dbraw/zinc/86/92/52/941869252.db2.gz QKFPHHJHLFMUTL-SNVBAGLBSA-N 1 1 252.270 1.773 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225489075 941869257 /nfs/dbraw/zinc/86/92/57/941869257.db2.gz QKFPHHJHLFMUTL-SNVBAGLBSA-N 1 1 252.270 1.773 20 5 CDBDMO Cc1cc(O[C@H]2CCc3[nH+]ccn3C2)ncc1[N+](=O)[O-] ZINC001225658675 941894903 /nfs/dbraw/zinc/89/49/03/941894903.db2.gz JMQDCSANYWJAHZ-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732891 942060438 /nfs/dbraw/zinc/06/04/38/942060438.db2.gz AZBGLKIUFYHBBK-LLVKDONJSA-N 1 1 266.301 1.636 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462273 942179159 /nfs/dbraw/zinc/17/91/59/942179159.db2.gz CFQMZMVTFNEBCF-SECBINFHSA-N 1 1 267.241 1.586 20 5 CDBDMO COc1c(-c2nnc(C[NH+](C)C)o2)cccc1[N+](=O)[O-] ZINC001261575842 946178310 /nfs/dbraw/zinc/17/83/10/946178310.db2.gz VVTHDEXLKHNXSV-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO COC(=O)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593251 947547534 /nfs/dbraw/zinc/54/75/34/947547534.db2.gz KKOZJLYTCZOQRC-SMDDNHRTSA-N 1 1 290.319 1.557 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3CC[C@@H]1CO3)C2 ZINC001254609908 947555737 /nfs/dbraw/zinc/55/57/37/947555737.db2.gz FKGWXZQUTWNEIU-QLFBSQMISA-N 1 1 274.320 1.925 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CC[C@@H]1CO3)C2 ZINC001254609908 947555748 /nfs/dbraw/zinc/55/57/48/947555748.db2.gz FKGWXZQUTWNEIU-QLFBSQMISA-N 1 1 274.320 1.925 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1=O ZINC001246295642 948087527 /nfs/dbraw/zinc/08/75/27/948087527.db2.gz URCCWINXHHNVQC-MFKMUULPSA-N 1 1 277.324 1.046 20 5 CDBDMO N[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565439 948283162 /nfs/dbraw/zinc/28/31/62/948283162.db2.gz CANLKEXNCRGTHQ-IVZWLZJFSA-N 1 1 281.278 1.397 20 5 CDBDMO CC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC001307701973 956432155 /nfs/dbraw/zinc/43/21/55/956432155.db2.gz FZTXDPCUULUDKW-NWDGAFQWSA-N 1 1 279.340 1.877 20 5 CDBDMO Cn1c[nH+]cc1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330638189 956532782 /nfs/dbraw/zinc/53/27/82/956532782.db2.gz KRJWOVKRKORIGV-UHFFFAOYSA-N 1 1 272.308 1.887 20 5 CDBDMO Cc1ccc(C[N@H+]2CCCN(CC[N+](=O)[O-])CC2)cc1 ZINC001333044554 958037991 /nfs/dbraw/zinc/03/79/91/958037991.db2.gz WHUJGGFIIOGKJM-UHFFFAOYSA-N 1 1 277.368 1.779 20 5 CDBDMO O=C([C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-])N1CCCC1 ZINC001335366936 959747036 /nfs/dbraw/zinc/74/70/36/959747036.db2.gz KFIGCTZOYXXPGF-CQSZACIVSA-N 1 1 291.351 1.086 20 5 CDBDMO Nc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001337804188 961432873 /nfs/dbraw/zinc/43/28/73/961432873.db2.gz AKBYXOITGNCIRL-MNOVXSKESA-N 1 1 277.328 1.611 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC001339608468 962449364 /nfs/dbraw/zinc/44/93/64/962449364.db2.gz BWDXMRJTZWIUBM-GZMMTYOYSA-N 1 1 277.328 1.467 20 5 CDBDMO C[N@@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601015875 342458189 /nfs/dbraw/zinc/45/81/89/342458189.db2.gz PDFCSBZPIIUIRQ-UHFFFAOYSA-N 1 1 281.287 1.558 20 5 CDBDMO COC[C@@H](O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601135618 342476231 /nfs/dbraw/zinc/47/62/31/342476231.db2.gz HXLAXDXPFKBSRN-NSHDSACASA-N 1 1 291.307 1.374 20 5 CDBDMO Cc1cnc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879178 342516105 /nfs/dbraw/zinc/51/61/05/342516105.db2.gz DMEVRYDVVKWKKX-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)[N@@H+]1C ZINC000590146300 342522909 /nfs/dbraw/zinc/52/29/09/342522909.db2.gz SLWNKVKYBWXFPN-AOOOYVTPSA-N 1 1 250.302 1.519 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599198967 343979266 /nfs/dbraw/zinc/97/92/66/343979266.db2.gz CXXYEKBTGYBSTF-NSHDSACASA-N 1 1 281.312 1.082 20 5 CDBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041950839 342004922 /nfs/dbraw/zinc/00/49/22/342004922.db2.gz MOAPWJYQLYEUAR-UHFFFAOYSA-N 1 1 295.339 1.293 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000026159835 342054824 /nfs/dbraw/zinc/05/48/24/342054824.db2.gz HLGMVUFJFYWLSF-UHFFFAOYSA-N 1 1 293.323 1.564 20 5 CDBDMO CC[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000591460056 342633424 /nfs/dbraw/zinc/63/34/24/342633424.db2.gz DZQWIWWBHBPKCK-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO C[C@H](N)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580677 342638042 /nfs/dbraw/zinc/63/80/42/342638042.db2.gz JOFHPQFOOAMKAU-AXFHLTTASA-N 1 1 267.333 1.212 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000573520902 361891701 /nfs/dbraw/zinc/89/17/01/361891701.db2.gz BHNSLYAJPMXDGN-JTNHKYCSSA-N 1 1 280.324 1.331 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601291 342923670 /nfs/dbraw/zinc/92/36/70/342923670.db2.gz NICQIZYANLEYHZ-QWRGUYRKSA-N 1 1 279.344 1.757 20 5 CDBDMO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCCC3)nn2)nc1 ZINC000594650181 342932228 /nfs/dbraw/zinc/93/22/28/342932228.db2.gz UQKBEVQWBAVPTM-UHFFFAOYSA-N 1 1 274.284 1.166 20 5 CDBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075716506 342312507 /nfs/dbraw/zinc/31/25/07/342312507.db2.gz MANFAGLJZYOULL-STQMWFEESA-N 1 1 296.371 1.663 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1[N+](=O)[O-] ZINC000595388916 343053003 /nfs/dbraw/zinc/05/30/03/343053003.db2.gz YSRAOOQFGYAOGK-SNVBAGLBSA-N 1 1 269.301 1.627 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CNC(=O)C1 ZINC000595477970 343064821 /nfs/dbraw/zinc/06/48/21/343064821.db2.gz WWAREIZPLBCTGL-GFCCVEGCSA-N 1 1 277.324 1.205 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076708563 342324622 /nfs/dbraw/zinc/32/46/22/342324622.db2.gz RDWHHCNTZYWCMJ-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076708563 342324623 /nfs/dbraw/zinc/32/46/23/342324623.db2.gz RDWHHCNTZYWCMJ-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595528636 343089735 /nfs/dbraw/zinc/08/97/35/343089735.db2.gz CUXOHDJZGIKFNC-UHFFFAOYSA-N 1 1 283.303 1.738 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1c([N+](=O)[O-])ncn1C ZINC000078335963 342335742 /nfs/dbraw/zinc/33/57/42/342335742.db2.gz WHVRSILXNWAJBP-UHFFFAOYSA-N 1 1 278.316 1.726 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCOCCO)C2CCC2)cc1 ZINC000595599027 343115298 /nfs/dbraw/zinc/11/52/98/343115298.db2.gz JVKGJQVMUYEBAC-UHFFFAOYSA-N 1 1 294.351 1.958 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079403953 342344261 /nfs/dbraw/zinc/34/42/61/342344261.db2.gz QUDBYWGIBPAZPB-UHFFFAOYSA-N 1 1 268.313 1.690 20 5 CDBDMO CCCc1[nH]nc(C(=O)N(C)CC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC000595943982 343204313 /nfs/dbraw/zinc/20/43/13/343204313.db2.gz JLKDGSRNKLEXCV-UHFFFAOYSA-N 1 1 283.332 1.080 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144410767 342435341 /nfs/dbraw/zinc/43/53/41/342435341.db2.gz UZVUQRVLMMAPOD-SNVBAGLBSA-N 1 1 290.323 1.265 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144410971 342435474 /nfs/dbraw/zinc/43/54/74/342435474.db2.gz UZVUQRVLMMAPOD-JTQLQIEISA-N 1 1 290.323 1.265 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342078 343771000 /nfs/dbraw/zinc/77/10/00/343771000.db2.gz DHFGAQUSGBGRMM-ZDUSSCGKSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598648521 343857015 /nfs/dbraw/zinc/85/70/15/343857015.db2.gz TYZIEUVPASTERA-SCZZXKLOSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598648521 343857016 /nfs/dbraw/zinc/85/70/16/343857016.db2.gz TYZIEUVPASTERA-SCZZXKLOSA-N 1 1 269.301 1.342 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599552173 344080474 /nfs/dbraw/zinc/08/04/74/344080474.db2.gz WJFSTNRDXHRRBL-UHFFFAOYSA-N 1 1 274.271 1.913 20 5 CDBDMO CO[C@@]1(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649491 344515651 /nfs/dbraw/zinc/51/56/51/344515651.db2.gz JRXOVMNVBYATIB-OAHLLOKOSA-N 1 1 294.351 1.875 20 5 CDBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)CO ZINC000602670837 344522115 /nfs/dbraw/zinc/52/21/15/344522115.db2.gz GSCGVDVJBCRGQP-SECBINFHSA-N 1 1 279.296 1.939 20 5 CDBDMO CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602684081 344530426 /nfs/dbraw/zinc/53/04/26/344530426.db2.gz FNBSWTOMOPDGOB-PWSUYJOCSA-N 1 1 282.344 1.575 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000602715811 344555127 /nfs/dbraw/zinc/55/51/27/344555127.db2.gz OOLRFPZGNAULJB-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000602715811 344555129 /nfs/dbraw/zinc/55/51/29/344555129.db2.gz OOLRFPZGNAULJB-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000602801108 344590499 /nfs/dbraw/zinc/59/04/99/344590499.db2.gz ZUUADOHEEMDOPQ-GHMZBOCLSA-N 1 1 281.360 1.124 20 5 CDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602761337 344583415 /nfs/dbraw/zinc/58/34/15/344583415.db2.gz BNRKGHACHFWSDT-UHFFFAOYSA-N 1 1 284.360 1.704 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCOCC1CC1 ZINC000602789337 344601135 /nfs/dbraw/zinc/60/11/35/344601135.db2.gz UVOGKOWDNDUFDG-UHFFFAOYSA-N 1 1 282.344 1.458 20 5 CDBDMO COC[C@@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000602931117 344661859 /nfs/dbraw/zinc/66/18/59/344661859.db2.gz HBEBXYRGTBVQHQ-GFCCVEGCSA-N 1 1 272.276 1.221 20 5 CDBDMO CCOC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840638 344621782 /nfs/dbraw/zinc/62/17/82/344621782.db2.gz OIEQGUQYQCMXJZ-ZDUSSCGKSA-N 1 1 296.371 1.991 20 5 CDBDMO CN(CCOCC[NH3+])Cc1cccc([N+](=O)[O-])c1 ZINC000038437228 344995430 /nfs/dbraw/zinc/99/54/30/344995430.db2.gz NMWHWITVGHWSMP-UHFFFAOYSA-N 1 1 253.302 1.002 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](O)CC1 ZINC000293072367 362522169 /nfs/dbraw/zinc/52/21/69/362522169.db2.gz JBQQCILTUQOPEU-LBPRGKRZSA-N 1 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COc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000354781891 375750172 /nfs/dbraw/zinc/75/01/72/375750172.db2.gz HQVTVAQVCLOXGB-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1C1CC1 ZINC000133535012 375797584 /nfs/dbraw/zinc/79/75/84/375797584.db2.gz IZCSFWGORUOIHQ-HTQZYQBOSA-N 1 1 278.316 1.004 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353624 250126990 /nfs/dbraw/zinc/12/69/90/250126990.db2.gz UHHIRKMRNLHDKI-IUCAKERBSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353624 250126993 /nfs/dbraw/zinc/12/69/93/250126993.db2.gz UHHIRKMRNLHDKI-IUCAKERBSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353624 250126995 /nfs/dbraw/zinc/12/69/95/250126995.db2.gz UHHIRKMRNLHDKI-IUCAKERBSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353624 250126998 /nfs/dbraw/zinc/12/69/98/250126998.db2.gz UHHIRKMRNLHDKI-IUCAKERBSA-N 1 1 295.343 1.045 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246210436 379474563 /nfs/dbraw/zinc/47/45/63/379474563.db2.gz NSIBMMSEFUQGKI-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000246210436 379474569 /nfs/dbraw/zinc/47/45/69/379474569.db2.gz NSIBMMSEFUQGKI-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CC1 ZINC000175091088 379632807 /nfs/dbraw/zinc/63/28/07/379632807.db2.gz CJRNWEAUPNJHIE-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CC1 ZINC000175091088 379632816 /nfs/dbraw/zinc/63/28/16/379632816.db2.gz CJRNWEAUPNJHIE-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000451942558 390951919 /nfs/dbraw/zinc/95/19/19/390951919.db2.gz FOZHOTUFECILGJ-DGCLKSJQSA-N 1 1 266.297 1.488 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267574 391936527 /nfs/dbraw/zinc/93/65/27/391936527.db2.gz FWLLLIHMPYMIAH-VIFPVBQESA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000153267574 391936530 /nfs/dbraw/zinc/93/65/30/391936530.db2.gz FWLLLIHMPYMIAH-VIFPVBQESA-N 1 1 293.327 1.065 20 5 CDBDMO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771945 392493641 /nfs/dbraw/zinc/49/36/41/392493641.db2.gz UGNZIXDRSWRSMZ-NEPJUHHUSA-N 1 1 279.340 1.643 20 5 CDBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755038 392653573 /nfs/dbraw/zinc/65/35/73/392653573.db2.gz WJAMFSODTBSXTF-TZMCWYRMSA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776421 392919091 /nfs/dbraw/zinc/91/90/91/392919091.db2.gz DEKLYUGFZOIGPV-GFCCVEGCSA-N 1 1 291.351 1.595 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707416 392942509 /nfs/dbraw/zinc/94/25/09/392942509.db2.gz XIEKZCGEJFZIQR-GFCCVEGCSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269297942 132151480 /nfs/dbraw/zinc/15/14/80/132151480.db2.gz SFVQVNGCWLETFX-UHFFFAOYSA-N 1 1 293.323 1.468 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269297942 132151481 /nfs/dbraw/zinc/15/14/81/132151481.db2.gz SFVQVNGCWLETFX-UHFFFAOYSA-N 1 1 293.323 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1C[NH2+]CCO1)CCC2 ZINC000423543181 392964403 /nfs/dbraw/zinc/96/44/03/392964403.db2.gz BOIFUCFWTUPEJA-ZFWWWQNUSA-N 1 1 291.351 1.550 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203578 393092833 /nfs/dbraw/zinc/09/28/33/393092833.db2.gz PBBCLXTWEXRDES-JTQLQIEISA-N 1 1 296.323 1.844 20 5 CDBDMO CC1=C[C@H](C)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430279630 393096933 /nfs/dbraw/zinc/09/69/33/393096933.db2.gz MPDRNYPCBPLXCE-VIFPVBQESA-N 1 1 250.302 1.726 20 5 CDBDMO CC1=C[C@H](C)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430279630 393096939 /nfs/dbraw/zinc/09/69/39/393096939.db2.gz MPDRNYPCBPLXCE-VIFPVBQESA-N 1 1 250.302 1.726 20 5 CDBDMO C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154849758 393122875 /nfs/dbraw/zinc/12/28/75/393122875.db2.gz UZGZLMYZFQNTCM-NSHDSACASA-N 1 1 289.335 1.968 20 5 CDBDMO COc1cc(C[NH2+]C[C@H](C)N(C)C)c([N+](=O)[O-])cc1O ZINC000449554132 393133528 /nfs/dbraw/zinc/13/35/28/393133528.db2.gz AQADASISBLHNRY-VIFPVBQESA-N 1 1 283.328 1.349 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449701905 393139453 /nfs/dbraw/zinc/13/94/53/393139453.db2.gz RJPJUHOUZLVYQK-AWEZNQCLSA-N 1 1 280.324 1.426 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261632852 140366776 /nfs/dbraw/zinc/36/67/76/140366776.db2.gz BJIMMQXFZAOECP-HNNXBMFYSA-N 1 1 275.352 1.823 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000304287124 140524890 /nfs/dbraw/zinc/52/48/90/140524890.db2.gz AZIRIETYXCBWPB-KBPBESRZSA-N 1 1 294.355 1.417 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1F ZINC000283270466 397870380 /nfs/dbraw/zinc/87/03/80/397870380.db2.gz WPNPTZPPBCTDQS-GFCCVEGCSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1F ZINC000283270466 397870384 /nfs/dbraw/zinc/87/03/84/397870384.db2.gz WPNPTZPPBCTDQS-GFCCVEGCSA-N 1 1 298.314 1.707 20 5 CDBDMO CCCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543521 155260969 /nfs/dbraw/zinc/26/09/69/155260969.db2.gz GEQQYIYDIXLMMO-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO CCCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543521 155260973 /nfs/dbraw/zinc/26/09/73/155260973.db2.gz GEQQYIYDIXLMMO-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356089328 157349094 /nfs/dbraw/zinc/34/90/94/157349094.db2.gz UQDNPBGCIGFSLC-IUCAKERBSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000356089328 157349096 /nfs/dbraw/zinc/34/90/96/157349096.db2.gz UQDNPBGCIGFSLC-IUCAKERBSA-N 1 1 266.301 1.088 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000359576686 158293721 /nfs/dbraw/zinc/29/37/21/158293721.db2.gz FFMHMCPDJOSQQQ-AWEZNQCLSA-N 1 1 296.323 1.057 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359828520 158391419 /nfs/dbraw/zinc/39/14/19/158391419.db2.gz DBAAUYATKDBBJC-AWEZNQCLSA-N 1 1 296.323 1.057 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861809 159255462 /nfs/dbraw/zinc/25/54/62/159255462.db2.gz GDPPLFZMJVMQOR-DGCLKSJQSA-N 1 1 291.351 1.451 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373277115 160188538 /nfs/dbraw/zinc/18/85/38/160188538.db2.gz FQDUYMVLTLEVAD-OAHLLOKOSA-N 1 1 292.335 1.820 20 5 CDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361655351 165087745 /nfs/dbraw/zinc/08/77/45/165087745.db2.gz PCPRIXDSZOUOFN-WCBMZHEXSA-N 1 1 256.327 1.717 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361655351 165087750 /nfs/dbraw/zinc/08/77/50/165087750.db2.gz PCPRIXDSZOUOFN-WCBMZHEXSA-N 1 1 256.327 1.717 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CO ZINC000284750591 196123856 /nfs/dbraw/zinc/12/38/56/196123856.db2.gz LLMOOXCJPYKONG-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CO ZINC000284750591 196123858 /nfs/dbraw/zinc/12/38/58/196123858.db2.gz LLMOOXCJPYKONG-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550162 196323752 /nfs/dbraw/zinc/32/37/52/196323752.db2.gz GJKMUONQOMTPNW-WCQYABFASA-N 1 1 298.339 1.301 20 5 CDBDMO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285566693 196329189 /nfs/dbraw/zinc/32/91/89/196329189.db2.gz NMXRKOHXUYJKQS-VXGBXAGGSA-N 1 1 286.715 1.440 20 5 CDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285566693 196329191 /nfs/dbraw/zinc/32/91/91/196329191.db2.gz NMXRKOHXUYJKQS-VXGBXAGGSA-N 1 1 286.715 1.440 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889229 176291000 /nfs/dbraw/zinc/29/10/00/176291000.db2.gz XNWQXQOWROTARO-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889229 176291001 /nfs/dbraw/zinc/29/10/01/176291001.db2.gz XNWQXQOWROTARO-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@@H]1CN(C)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889229 176291002 /nfs/dbraw/zinc/29/10/02/176291002.db2.gz XNWQXQOWROTARO-GFCCVEGCSA-N 1 1 263.341 1.773 20 5 CDBDMO COCC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178157586 274031622 /nfs/dbraw/zinc/03/16/22/274031622.db2.gz WRFHUGCDOKZWAT-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773157 277087608 /nfs/dbraw/zinc/08/76/08/277087608.db2.gz LFUQMXKSPOOMSM-LBPRGKRZSA-N 1 1 282.369 1.973 20 5 CDBDMO CSCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332682258 278130468 /nfs/dbraw/zinc/13/04/68/278130468.db2.gz IDORWQFZYOVPCT-UHFFFAOYSA-N 1 1 253.327 1.711 20 5 CDBDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000412031935 278324294 /nfs/dbraw/zinc/32/42/94/278324294.db2.gz BJYOHJCSNWRPSZ-VIFPVBQESA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@H+]1C ZINC000342361261 279124342 /nfs/dbraw/zinc/12/43/42/279124342.db2.gz SKTCJSSCKDBDIF-PSASIEDQSA-N 1 1 266.301 1.135 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112926733 279333528 /nfs/dbraw/zinc/33/35/28/279333528.db2.gz VUHIGJNVCNHOTC-BQYQJAHWSA-N 1 1 277.324 1.676 20 5 CDBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1C1CC1 ZINC000267895295 280013597 /nfs/dbraw/zinc/01/35/97/280013597.db2.gz UBSKSFKWZMUUAR-IUCAKERBSA-N 1 1 265.317 1.365 20 5 CDBDMO CC(C)[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000195128630 280070932 /nfs/dbraw/zinc/07/09/32/280070932.db2.gz MARLQIDOAMUELO-ZDUSSCGKSA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000178213193 281012300 /nfs/dbraw/zinc/01/23/00/281012300.db2.gz WQPBHQFNHJLMSB-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000178213193 281012302 /nfs/dbraw/zinc/01/23/02/281012302.db2.gz WQPBHQFNHJLMSB-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999652 281064574 /nfs/dbraw/zinc/06/45/74/281064574.db2.gz OUDRTHXSDVCNKI-CQSZACIVSA-N 1 1 276.340 1.912 20 5 CDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438324 281194887 /nfs/dbraw/zinc/19/48/87/281194887.db2.gz WUQVBKLZLFKFCZ-NWDGAFQWSA-N 1 1 293.371 1.387 20 5 CDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776646 290368684 /nfs/dbraw/zinc/36/86/84/290368684.db2.gz CXECUJYCSBOUTN-JTQLQIEISA-N 1 1 295.343 1.264 20 5 CDBDMO Cc1c(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)cccc1[N+](=O)[O-] ZINC000569376669 294191336 /nfs/dbraw/zinc/19/13/36/294191336.db2.gz CQRLGWNPUKKWTB-GFCCVEGCSA-N 1 1 291.351 1.860 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000574851235 295063116 /nfs/dbraw/zinc/06/31/16/295063116.db2.gz YGWXEUDLDUMOAF-NSHDSACASA-N 1 1 296.371 1.784 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765517 323218678 /nfs/dbraw/zinc/21/86/78/323218678.db2.gz XZFUPNOHXYHNFO-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO Cc1nn(CCC[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000181298165 323232982 /nfs/dbraw/zinc/23/29/82/323232982.db2.gz WATVHBSAFUIJGF-UHFFFAOYSA-N 1 1 281.360 1.046 20 5 CDBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275610 533762459 /nfs/dbraw/zinc/76/24/59/533762459.db2.gz CQEQICZXJSFTCV-YRGRVCCFSA-N 1 1 296.371 1.663 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069091841 521475760 /nfs/dbraw/zinc/47/57/60/521475760.db2.gz RPUQWVNZXBXEIA-UHFFFAOYSA-N 1 1 265.313 1.899 20 5 CDBDMO COc1cc(C[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184223117 522351248 /nfs/dbraw/zinc/35/12/48/522351248.db2.gz WCDYSGHXWFFIIM-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184223117 522351251 /nfs/dbraw/zinc/35/12/51/522351251.db2.gz WCDYSGHXWFFIIM-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256698 523684585 /nfs/dbraw/zinc/68/45/85/523684585.db2.gz SRGGCLYJFOCBND-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000365834045 527348612 /nfs/dbraw/zinc/34/86/12/527348612.db2.gz ACFJNEZJUNRSHX-AWEZNQCLSA-N 1 1 262.309 1.942 20 5 CDBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306266 528591032 /nfs/dbraw/zinc/59/10/32/528591032.db2.gz KBGJUPRWLNAJEP-OCCSQVGLSA-N 1 1 296.371 1.663 20 5 CDBDMO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295332487 528933084 /nfs/dbraw/zinc/93/30/84/528933084.db2.gz HKHQISPCQKIFJM-AWEZNQCLSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295332487 528933088 /nfs/dbraw/zinc/93/30/88/528933088.db2.gz HKHQISPCQKIFJM-AWEZNQCLSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174816830 535054728 /nfs/dbraw/zinc/05/47/28/535054728.db2.gz MXWYVDBDRCBMKJ-UHFFFAOYSA-N 1 1 252.318 1.912 20 5 CDBDMO CCc1nn(C)c(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000091561850 536181605 /nfs/dbraw/zinc/18/16/05/536181605.db2.gz DURUWCLZBLPGPL-UHFFFAOYSA-N 1 1 297.359 1.025 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000750038210 576972796 /nfs/dbraw/zinc/97/27/96/576972796.db2.gz AEFVTHACGLIVIH-SWLSCSKDSA-N 1 1 294.351 1.987 20 5 CDBDMO CC(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138157 614031183 /nfs/dbraw/zinc/03/11/83/614031183.db2.gz NKOSLTBTKVZYIJ-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO CC(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138157 614031184 /nfs/dbraw/zinc/03/11/84/614031184.db2.gz NKOSLTBTKVZYIJ-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO CC(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138157 614031186 /nfs/dbraw/zinc/03/11/86/614031186.db2.gz NKOSLTBTKVZYIJ-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC000893612463 617669777 /nfs/dbraw/zinc/66/97/77/617669777.db2.gz QEYYRCKHBUBYGM-UHFFFAOYSA-N 1 1 251.290 1.002 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc2nonc2c1[N+](=O)[O-] ZINC000894247492 618752886 /nfs/dbraw/zinc/75/28/86/618752886.db2.gz GEFVAPFOEYIRHI-VIFPVBQESA-N 1 1 291.311 1.661 20 5 CDBDMO CCN(CC)[C@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899859980 622486439 /nfs/dbraw/zinc/48/64/39/622486439.db2.gz OHLBQEIEGAOIPP-CQSZACIVSA-N 1 1 265.357 1.936 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccccc1Cl ZINC000905105558 626621871 /nfs/dbraw/zinc/62/18/71/626621871.db2.gz LTEJESBITSPGFU-JTQLQIEISA-N 1 1 283.715 1.312 20 5 CDBDMO COc1ccc2c(c1)[C@@H]([NH2+]CC[N+](=O)[O-])CCO2 ZINC000905217900 626696984 /nfs/dbraw/zinc/69/69/84/626696984.db2.gz ZQGPYNFWGXDGKM-NSHDSACASA-N 1 1 252.270 1.385 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000129105247 1158940397 /nfs/dbraw/zinc/94/03/97/1158940397.db2.gz ZOOXHNJXRCEAPQ-GHMZBOCLSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000129105247 1158940402 /nfs/dbraw/zinc/94/04/02/1158940402.db2.gz ZOOXHNJXRCEAPQ-GHMZBOCLSA-N 1 1 266.301 1.250 20 5 CDBDMO CC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776078 1159555654 /nfs/dbraw/zinc/55/56/54/1159555654.db2.gz WIJWSQGCTOSBNJ-LBELIVKGSA-N 1 1 295.383 1.134 20 5 CDBDMO CC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776078 1159555657 /nfs/dbraw/zinc/55/56/57/1159555657.db2.gz WIJWSQGCTOSBNJ-LBELIVKGSA-N 1 1 295.383 1.134 20 5 CDBDMO CC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776078 1159555660 /nfs/dbraw/zinc/55/56/60/1159555660.db2.gz WIJWSQGCTOSBNJ-LBELIVKGSA-N 1 1 295.383 1.134 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001607084313 1164073570 /nfs/dbraw/zinc/07/35/70/1164073570.db2.gz ZKRHCQUOQQPARX-DTORHVGOSA-N 1 1 286.295 1.227 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000814937976 1164102039 /nfs/dbraw/zinc/10/20/39/1164102039.db2.gz FCOGAQPLBHSJQP-NSHDSACASA-N 1 1 289.339 1.773 20 5 CDBDMO Cc1[nH+]ccn1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001592419566 1173883390 /nfs/dbraw/zinc/88/33/90/1173883390.db2.gz MEANXVCYGBNIAU-UHFFFAOYSA-N 1 1 285.267 1.328 20 5 CDBDMO C[C@@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817972592 828338251 /nfs/dbraw/zinc/33/82/51/828338251.db2.gz YAEQYKZOBFBVDW-LLVKDONJSA-N 1 1 278.356 1.500 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170781952 822769494 /nfs/dbraw/zinc/76/94/94/822769494.db2.gz FVPAJICOHHDQNH-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170781952 822769504 /nfs/dbraw/zinc/76/95/04/822769504.db2.gz FVPAJICOHHDQNH-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559230 828537261 /nfs/dbraw/zinc/53/72/61/828537261.db2.gz HJLYJFKJMJDNEM-GDLCADMTSA-N 1 1 280.324 1.473 20 5 CDBDMO C[NH2+][C@@H](C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000848627693 823739799 /nfs/dbraw/zinc/73/97/99/823739799.db2.gz JPEOGFZYPDRFFK-QMMMGPOBSA-N 1 1 292.295 1.858 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712527811 823970241 /nfs/dbraw/zinc/97/02/41/823970241.db2.gz HAAUKDVEEUBCOX-MRVPVSSYSA-N 1 1 256.693 1.759 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712527811 823970250 /nfs/dbraw/zinc/97/02/50/823970250.db2.gz HAAUKDVEEUBCOX-MRVPVSSYSA-N 1 1 256.693 1.759 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886580828 824036339 /nfs/dbraw/zinc/03/63/39/824036339.db2.gz ZHHUCHGNYBCBSJ-ISTVAULSSA-N 1 1 280.299 1.937 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928569701 824232452 /nfs/dbraw/zinc/23/24/52/824232452.db2.gz OGADBSYIXSRINC-LLVKDONJSA-N 1 1 289.291 1.775 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928569701 824232459 /nfs/dbraw/zinc/23/24/59/824232459.db2.gz OGADBSYIXSRINC-LLVKDONJSA-N 1 1 289.291 1.775 20 5 CDBDMO COc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000853547529 824482552 /nfs/dbraw/zinc/48/25/52/824482552.db2.gz UIZCRZCGGGEGGY-TXEJJXNPSA-N 1 1 291.351 1.910 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582228 824650505 /nfs/dbraw/zinc/65/05/05/824650505.db2.gz MQTBNZMVRAEEBA-QWHCGFSZSA-N 1 1 266.297 1.349 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219563332 824874266 /nfs/dbraw/zinc/87/42/66/824874266.db2.gz HEFCRHHCAOHTAP-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219563332 824874272 /nfs/dbraw/zinc/87/42/72/824874272.db2.gz HEFCRHHCAOHTAP-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO O=C(NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000929790047 824922635 /nfs/dbraw/zinc/92/26/35/824922635.db2.gz RLYUXQCYGFUTEN-CYBMUJFWSA-N 1 1 291.351 1.405 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccnc(F)c3[N+](=O)[O-])C2)C1 ZINC000882398396 825221140 /nfs/dbraw/zinc/22/11/40/825221140.db2.gz WSEBREOJWUFROH-ZDUSSCGKSA-N 1 1 280.303 1.661 20 5 CDBDMO O=[N+]([O-])c1cn(C[NH+]2CCCC2)nc1-c1ccccn1 ZINC000853487014 825497552 /nfs/dbraw/zinc/49/75/52/825497552.db2.gz GZNQDCXYTJXNRR-UHFFFAOYSA-N 1 1 273.296 1.907 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823200732 825606629 /nfs/dbraw/zinc/60/66/29/825606629.db2.gz LWTWKUQQNMRQIN-NSHDSACASA-N 1 1 271.361 1.280 20 5 CDBDMO COc1ccccc1OCC[N@H+](C)CC[N+](=O)[O-] ZINC000929316954 825725557 /nfs/dbraw/zinc/72/55/57/825725557.db2.gz YWOBOGZURWDHET-UHFFFAOYSA-N 1 1 254.286 1.283 20 5 CDBDMO COc1ccccc1OCC[N@@H+](C)CC[N+](=O)[O-] ZINC000929316954 825725577 /nfs/dbraw/zinc/72/55/77/825725577.db2.gz YWOBOGZURWDHET-UHFFFAOYSA-N 1 1 254.286 1.283 20 5 CDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929800040 825829044 /nfs/dbraw/zinc/82/90/44/825829044.db2.gz BCXSSXNOOPBJRB-AWEZNQCLSA-N 1 1 263.341 1.469 20 5 CDBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000814928914 825896846 /nfs/dbraw/zinc/89/68/46/825896846.db2.gz NDHRSUHLERAWOA-PHIMTYICSA-N 1 1 289.339 1.771 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000776270204 826012460 /nfs/dbraw/zinc/01/24/60/826012460.db2.gz APKJHXDAGFOXLL-QWHCGFSZSA-N 1 1 266.297 1.085 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092627070 826271734 /nfs/dbraw/zinc/27/17/34/826271734.db2.gz YGLOLQUNJHVHSX-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO COC(=O)C1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818174890 826302515 /nfs/dbraw/zinc/30/25/15/826302515.db2.gz SYUVFHFFSIYVAB-LBPRGKRZSA-N 1 1 294.307 1.123 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000839529673 826427036 /nfs/dbraw/zinc/42/70/36/826427036.db2.gz VBFXISAWFJMJAD-NNYUYHANSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000839529673 826427050 /nfs/dbraw/zinc/42/70/50/826427050.db2.gz VBFXISAWFJMJAD-NNYUYHANSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000839529673 826427081 /nfs/dbraw/zinc/42/70/81/826427081.db2.gz VBFXISAWFJMJAD-NNYUYHANSA-N 1 1 269.345 1.031 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000878498913 826676147 /nfs/dbraw/zinc/67/61/47/826676147.db2.gz RXSNYANALAVGHQ-JSGCOSHPSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000878498913 826676154 /nfs/dbraw/zinc/67/61/54/826676154.db2.gz RXSNYANALAVGHQ-JSGCOSHPSA-N 1 1 280.324 1.078 20 5 CDBDMO CCC[N@@H+](CC)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219162284 826871418 /nfs/dbraw/zinc/87/14/18/826871418.db2.gz RBRNOGZLULAGAK-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCN(CC)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219162284 826871419 /nfs/dbraw/zinc/87/14/19/826871419.db2.gz RBRNOGZLULAGAK-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO Cc1c(CC(=O)NC[C@@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928560133 827410916 /nfs/dbraw/zinc/41/09/16/827410916.db2.gz SMEOTSYSUAUGFF-LBPRGKRZSA-N 1 1 277.324 1.266 20 5 CDBDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)n1 ZINC000925383031 827805174 /nfs/dbraw/zinc/80/51/74/827805174.db2.gz QABFUWNRHBINPN-SNVBAGLBSA-N 1 1 291.311 1.453 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000870956087 827818599 /nfs/dbraw/zinc/81/85/99/827818599.db2.gz GTJAQJGDYXTCBF-ZIBATOQPSA-N 1 1 289.335 1.637 20 5 CDBDMO CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886203505 827852957 /nfs/dbraw/zinc/85/29/57/827852957.db2.gz WTGCUPNSZBCXEH-LLVKDONJSA-N 1 1 264.329 1.516 20 5 CDBDMO CC[C@H](CSC)[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000091024947 828071094 /nfs/dbraw/zinc/07/10/94/828071094.db2.gz UGAXDHLVZMHNSF-SECBINFHSA-N 1 1 258.347 1.822 20 5 CDBDMO CC[C@H](CSC)[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000091024947 828071104 /nfs/dbraw/zinc/07/11/04/828071104.db2.gz UGAXDHLVZMHNSF-SECBINFHSA-N 1 1 258.347 1.822 20 5 CDBDMO CCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932973505 828094444 /nfs/dbraw/zinc/09/44/44/828094444.db2.gz JQUPUKPIDUINII-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@](C)(O)C1 ZINC001173221426 912304667 /nfs/dbraw/zinc/30/46/67/912304667.db2.gz IHOZSAHFMDOSII-WFASDCNBSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001173223449 912305888 /nfs/dbraw/zinc/30/58/88/912305888.db2.gz ADSJXWGYIHOOQI-SWHYSGLUSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1[nH]c(=O)nc1C[NH3+] ZINC001173234518 912324415 /nfs/dbraw/zinc/32/44/15/912324415.db2.gz PDCIRWNIOPDNDR-QMMMGPOBSA-N 1 1 277.284 1.154 20 5 CDBDMO C[N@@H+]1CCO[C@H](COCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222790766 900459159 /nfs/dbraw/zinc/45/91/59/900459159.db2.gz BMLXYEREVBFBCE-ZDUSSCGKSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@H](COCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222790766 900459163 /nfs/dbraw/zinc/45/91/63/900459163.db2.gz BMLXYEREVBFBCE-ZDUSSCGKSA-N 1 1 266.297 1.442 20 5 CDBDMO Cc1nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000842638004 937066263 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C[NH+](C)/C=C/c1cc(NCc2ncon2)ncc1[N+](=O)[O-] ZINC001154895641 937600818 /nfs/dbraw/zinc/60/08/18/937600818.db2.gz KMHPLURVSHGQLA-ONEGZZNKSA-N 1 1 290.283 1.517 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259719 938470480 /nfs/dbraw/zinc/47/04/80/938470480.db2.gz FSDQAQRPNISPLK-ZYHUDNBSSA-N 1 1 262.313 1.520 20 5 CDBDMO Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](N)CCC[NH3+] ZINC001159785601 938752432 /nfs/dbraw/zinc/75/24/32/938752432.db2.gz QQJLISOUCJXOMP-JTQLQIEISA-N 1 1 253.306 1.042 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cnccc32)n1 ZINC001160945547 938847898 /nfs/dbraw/zinc/84/78/98/938847898.db2.gz FCHRDXLIZNISAM-UHFFFAOYSA-N 1 1 298.306 1.533 20 5 CDBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165146130 939518173 /nfs/dbraw/zinc/51/81/73/939518173.db2.gz BSJSXIRNSPMSHL-AOOOYVTPSA-N 1 1 296.758 1.949 20 5 CDBDMO CCOc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165147935 939518435 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CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001254550440 947523091 /nfs/dbraw/zinc/52/30/91/947523091.db2.gz JUEQFELLNAANRG-DRZSPHRISA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001254563528 947525761 /nfs/dbraw/zinc/52/57/61/947525761.db2.gz YDANHCBDMCTMSS-CMPLNLGQSA-N 1 1 277.324 1.333 20 5 CDBDMO CO[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593665 947545634 /nfs/dbraw/zinc/54/56/34/947545634.db2.gz NSDUPQNBXAXLPP-KGLIPLIRSA-N 1 1 262.309 1.783 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597340 947546738 /nfs/dbraw/zinc/54/67/38/947546738.db2.gz HOENBFYRXDVVRW-KFWWJZLASA-N 1 1 292.335 1.408 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC3(COC3)C1)C2 ZINC001254594440 947547859 /nfs/dbraw/zinc/54/78/59/947547859.db2.gz QYQWMPSFFJYZKF-AWEZNQCLSA-N 1 1 274.320 1.784 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602050 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292.335 1.945 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612118 947556498 /nfs/dbraw/zinc/55/64/98/947556498.db2.gz VEZIZJMNKFXVOH-AWEZNQCLSA-N 1 1 292.335 1.947 20 5 CDBDMO [NH3+][C@]12CC[C@@H]1CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859298 948484981 /nfs/dbraw/zinc/48/49/81/948484981.db2.gz JIMOVCDLYLWLNP-SNPRPXQTSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859298 948484984 /nfs/dbraw/zinc/48/49/84/948484984.db2.gz JIMOVCDLYLWLNP-SNPRPXQTSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859298 948484987 /nfs/dbraw/zinc/48/49/87/948484987.db2.gz JIMOVCDLYLWLNP-SNPRPXQTSA-N 1 1 273.336 1.485 20 5 CDBDMO CC1CC[NH+](CCc2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)CC1 ZINC001327845181 955075229 /nfs/dbraw/zinc/07/52/29/955075229.db2.gz BKKDVTQCLBBQEW-GHMZBOCLSA-N 1 1 280.328 1.477 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)n1 ZINC001308163072 956482310 /nfs/dbraw/zinc/48/23/10/956482310.db2.gz YQGZXCUTLVQQOL-OLZOCXBDSA-N 1 1 294.355 1.825 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001331760442 957247887 /nfs/dbraw/zinc/24/78/87/957247887.db2.gz VXSGTHMUCUBDKK-CHWSQXEVSA-N 1 1 294.355 1.601 20 5 CDBDMO CCN(CC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001332871969 957904527 /nfs/dbraw/zinc/90/45/27/957904527.db2.gz QCLOGFXRPWEQAE-HNNXBMFYSA-N 1 1 277.368 1.860 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)C[C@H]2CC(C)C)ncc1[N+](=O)[O-] ZINC001352087453 967091531 /nfs/dbraw/zinc/09/15/31/967091531.db2.gz AHQGGLFJXHKYGE-GFCCVEGCSA-N 1 1 293.371 1.860 20 5 CDBDMO C[C@@H](CO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105815 342466793 /nfs/dbraw/zinc/46/67/93/342466793.db2.gz JMMXDNLNVRMSEH-SECBINFHSA-N 1 1 261.281 1.605 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C)C(C)(C)C1 ZINC000601187907 342488064 /nfs/dbraw/zinc/48/80/64/342488064.db2.gz ZQTBDYQWCGRDGO-UHFFFAOYSA-N 1 1 281.360 1.650 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCOCCO)c2c1 ZINC000601139293 342479717 /nfs/dbraw/zinc/47/97/17/342479717.db2.gz DTMUQRJPMBWASF-UHFFFAOYSA-N 1 1 291.307 1.376 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000157679828 342007438 /nfs/dbraw/zinc/00/74/38/342007438.db2.gz YBGBCPRHDPCVED-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000157679828 342007439 /nfs/dbraw/zinc/00/74/39/342007439.db2.gz YBGBCPRHDPCVED-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CC2)C1 ZINC000590703692 342582547 /nfs/dbraw/zinc/58/25/47/342582547.db2.gz UUYIUXGRAPZWFO-JTQLQIEISA-N 1 1 279.344 1.249 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062200 342614987 /nfs/dbraw/zinc/61/49/87/342614987.db2.gz XJBLVFGHHGSXHB-JSGCOSHPSA-N 1 1 294.355 1.274 20 5 CDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N ZINC000591580688 342637911 /nfs/dbraw/zinc/63/79/11/342637911.db2.gz JVVRLMZWWLWXHB-WDEREUQCSA-N 1 1 251.330 1.853 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000593728028 342829748 /nfs/dbraw/zinc/82/97/48/342829748.db2.gz WGXOKCCCFFOCRT-MFKMUULPSA-N 1 1 277.324 1.484 20 5 CDBDMO C[C@H](O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054895 342873031 /nfs/dbraw/zinc/87/30/31/342873031.db2.gz HFYFJKXXZQZKCN-NSHDSACASA-N 1 1 280.324 1.819 20 5 CDBDMO COC(C)(C)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534870771 282212449 /nfs/dbraw/zinc/21/24/49/282212449.db2.gz GEUXCWPMZGACBI-UHFFFAOYSA-N 1 1 283.328 1.113 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000595408589 343050833 /nfs/dbraw/zinc/05/08/33/343050833.db2.gz QRIPRPXBMXKCLH-UHFFFAOYSA-N 1 1 268.317 1.417 20 5 CDBDMO Cc1noc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388522 343053075 /nfs/dbraw/zinc/05/30/75/343053075.db2.gz GRNQLKBBDACDKM-JTQLQIEISA-N 1 1 271.317 1.730 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388522 343053076 /nfs/dbraw/zinc/05/30/76/343053076.db2.gz GRNQLKBBDACDKM-JTQLQIEISA-N 1 1 271.317 1.730 20 5 CDBDMO Cc1noc(C[NH+]2CCC(C)(CO)CC2)c1[N+](=O)[O-] ZINC000595434449 343059863 /nfs/dbraw/zinc/05/98/63/343059863.db2.gz BIPFDACESGFLME-UHFFFAOYSA-N 1 1 269.301 1.486 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595458647 343069320 /nfs/dbraw/zinc/06/93/20/343069320.db2.gz LHVJTXXZOGFQTQ-VHSXEESVSA-N 1 1 286.303 1.298 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269352 342320405 /nfs/dbraw/zinc/32/04/05/342320405.db2.gz LWWROQUEAMVYGM-VIFPVBQESA-N 1 1 280.332 1.111 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000595502949 343079673 /nfs/dbraw/zinc/07/96/73/343079673.db2.gz XRIDYJFBFDCTAM-GDNZZTSVSA-N 1 1 266.272 1.404 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000595502949 343079674 /nfs/dbraw/zinc/07/96/74/343079674.db2.gz XRIDYJFBFDCTAM-GDNZZTSVSA-N 1 1 266.272 1.404 20 5 CDBDMO CS[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595512327 343082148 /nfs/dbraw/zinc/08/21/48/343082148.db2.gz XPKOYQSCWJOHFH-MRVPVSSYSA-N 1 1 257.315 1.829 20 5 CDBDMO CS[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595512327 343082149 /nfs/dbraw/zinc/08/21/49/343082149.db2.gz XPKOYQSCWJOHFH-MRVPVSSYSA-N 1 1 257.315 1.829 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595564122 343099671 /nfs/dbraw/zinc/09/96/71/343099671.db2.gz PLEMBEKMVZURQL-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@H+](CCN1CCCC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000076945721 342325864 /nfs/dbraw/zinc/32/58/64/342325864.db2.gz UVRPVRWAQPOEIZ-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO C[N@@H+](CCN1CCCC1=O)Cc1cccc([N+](=O)[O-])c1 ZINC000076945721 342325865 /nfs/dbraw/zinc/32/58/65/342325865.db2.gz UVRPVRWAQPOEIZ-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCOCCO)C2CCC2)c1 ZINC000595600209 343115324 /nfs/dbraw/zinc/11/53/24/343115324.db2.gz OANBNNNUNQXWQL-UHFFFAOYSA-N 1 1 294.351 1.958 20 5 CDBDMO Cc1ccnc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285391 362085818 /nfs/dbraw/zinc/08/58/18/362085818.db2.gz XDHGMJSJENVIKH-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000265285391 362085820 /nfs/dbraw/zinc/08/58/20/362085820.db2.gz XDHGMJSJENVIKH-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595769038 343146682 /nfs/dbraw/zinc/14/66/82/343146682.db2.gz IOXUQUWBIFJLFR-SMDDNHRTSA-N 1 1 280.324 1.819 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595735491 343135353 /nfs/dbraw/zinc/13/53/53/343135353.db2.gz AMPWAQKXDDBYRT-CQSZACIVSA-N 1 1 280.324 1.485 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000079914728 342348474 /nfs/dbraw/zinc/34/84/74/342348474.db2.gz XFHLBMWBDYLYNW-SECBINFHSA-N 1 1 280.332 1.111 20 5 CDBDMO O=c1[nH]ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596082408 343220354 /nfs/dbraw/zinc/22/03/54/343220354.db2.gz JTKBBPQOGXRBRT-VHSXEESVSA-N 1 1 278.312 1.734 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000595910220 343189372 /nfs/dbraw/zinc/18/93/72/343189372.db2.gz RSWKBTYIYZWXLN-JTQLQIEISA-N 1 1 252.318 1.769 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111225 343230294 /nfs/dbraw/zinc/23/02/94/343230294.db2.gz YFFPDVKTJMRCLF-UHFFFAOYSA-N 1 1 280.328 1.446 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596126827 343237796 /nfs/dbraw/zinc/23/77/96/343237796.db2.gz QOBWDEZZZBABLZ-NSHDSACASA-N 1 1 293.371 1.670 20 5 CDBDMO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145128 343243333 /nfs/dbraw/zinc/24/33/33/343243333.db2.gz GUYSTPGVPSNPIL-RKDXNWHRSA-N 1 1 266.301 1.590 20 5 CDBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000596120418 343247840 /nfs/dbraw/zinc/24/78/40/343247840.db2.gz FLAALWIHPWOWFS-JTQLQIEISA-N 1 1 284.385 1.622 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@H]2C1 ZINC000596213617 343268160 /nfs/dbraw/zinc/26/81/60/343268160.db2.gz ACEHKZKETBWRFY-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO C[N@@H+](CCCCNc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000596260804 343277720 /nfs/dbraw/zinc/27/77/20/343277720.db2.gz KPXJZVWERBOUEF-UHFFFAOYSA-N 1 1 279.344 1.280 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344330 342422697 /nfs/dbraw/zinc/42/26/97/342422697.db2.gz ODLIWGMKWJGJKU-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344330 342422698 /nfs/dbraw/zinc/42/26/98/342422698.db2.gz ODLIWGMKWJGJKU-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598341632 343770212 /nfs/dbraw/zinc/77/02/12/343770212.db2.gz FBZXEXOXLXAJAM-ZDUSSCGKSA-N 1 1 291.351 1.738 20 5 CDBDMO CC1(C)CC[N@@H+](CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000072828201 344165552 /nfs/dbraw/zinc/16/55/52/344165552.db2.gz IMRJKVJOSDIVSR-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO CSC[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780872 344596613 /nfs/dbraw/zinc/59/66/13/344596613.db2.gz BCJCMSHGDQTRHP-LLVKDONJSA-N 1 1 284.385 1.927 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCOC1 ZINC000602776354 344578801 /nfs/dbraw/zinc/57/88/01/344578801.db2.gz FTRMBDOMKHCOFZ-LLVKDONJSA-N 1 1 268.317 1.068 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000602835304 344618257 /nfs/dbraw/zinc/61/82/57/344618257.db2.gz ADZSMHPSPLPIDV-GFCCVEGCSA-N 1 1 294.355 1.479 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903710 344655505 /nfs/dbraw/zinc/65/55/05/344655505.db2.gz AQHHAQBAYQRQFO-RNCFNFMXSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000602903710 344655506 /nfs/dbraw/zinc/65/55/06/344655506.db2.gz AQHHAQBAYQRQFO-RNCFNFMXSA-N 1 1 284.287 1.052 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000602864138 344637923 /nfs/dbraw/zinc/63/79/23/344637923.db2.gz MWOUGQNIEXDNDW-ZDUSSCGKSA-N 1 1 296.371 1.989 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602908380 344644938 /nfs/dbraw/zinc/64/49/38/344644938.db2.gz OSSVOPCBUSVHFD-DGCLKSJQSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602908380 344644939 /nfs/dbraw/zinc/64/49/39/344644939.db2.gz OSSVOPCBUSVHFD-DGCLKSJQSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159728013 362511595 /nfs/dbraw/zinc/51/15/95/362511595.db2.gz JVEPKLSIGGWGML-NSHDSACASA-N 1 1 265.313 1.631 20 5 CDBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000344241508 362559003 /nfs/dbraw/zinc/55/90/03/362559003.db2.gz WGIJMQJTKHURLU-SECBINFHSA-N 1 1 295.314 1.946 20 5 CDBDMO COc1ccc(C[N@@H+](C)CCOCCO)cc1[N+](=O)[O-] ZINC000265767178 362606911 /nfs/dbraw/zinc/60/69/11/362606911.db2.gz IBOTXGLVTURSTH-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)n1C ZINC000350257530 346334540 /nfs/dbraw/zinc/33/45/40/346334540.db2.gz ANAFXHSZYGXSRQ-MRVPVSSYSA-N 1 1 292.299 1.106 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000610680889 346346744 /nfs/dbraw/zinc/34/67/44/346346744.db2.gz KSGKFTVABXCOPG-LLVKDONJSA-N 1 1 289.339 1.978 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2cccc2[C@H]1C ZINC000610680889 346346747 /nfs/dbraw/zinc/34/67/47/346346747.db2.gz KSGKFTVABXCOPG-LLVKDONJSA-N 1 1 289.339 1.978 20 5 CDBDMO CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084774 346604286 /nfs/dbraw/zinc/60/42/86/346604286.db2.gz SABVBCDOYUAWQP-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272174 346732092 /nfs/dbraw/zinc/73/20/92/346732092.db2.gz UYMPNGBBJJRRPU-JTQLQIEISA-N 1 1 296.323 1.569 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272174 346732094 /nfs/dbraw/zinc/73/20/94/346732094.db2.gz UYMPNGBBJJRRPU-JTQLQIEISA-N 1 1 296.323 1.569 20 5 CDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000611290117 346737162 /nfs/dbraw/zinc/73/71/62/346737162.db2.gz CJVZMKXFBOPDBW-VIFPVBQESA-N 1 1 270.358 1.314 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000611290117 346737164 /nfs/dbraw/zinc/73/71/64/346737164.db2.gz CJVZMKXFBOPDBW-VIFPVBQESA-N 1 1 270.358 1.314 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611413214 346779720 /nfs/dbraw/zinc/77/97/20/346779720.db2.gz XURNDKNIEIUVBA-VIFPVBQESA-N 1 1 271.342 1.789 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066124536 347477967 /nfs/dbraw/zinc/47/79/67/347477967.db2.gz DGFQEQPBIGCCBS-LLVKDONJSA-N 1 1 297.359 1.028 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066959261 347548231 /nfs/dbraw/zinc/54/82/31/347548231.db2.gz VVCPYAKJIKWDMI-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO COC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606426 365914400 /nfs/dbraw/zinc/91/44/00/365914400.db2.gz ZQQBSHRWVZPUKC-UHFFFAOYSA-N 1 1 278.308 1.906 20 5 CDBDMO COC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606426 365914404 /nfs/dbraw/zinc/91/44/04/365914404.db2.gz ZQQBSHRWVZPUKC-UHFFFAOYSA-N 1 1 278.308 1.906 20 5 CDBDMO COCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066380199 348982831 /nfs/dbraw/zinc/98/28/31/348982831.db2.gz UVWMZFNPIPNTKI-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000104961520 186034597 /nfs/dbraw/zinc/03/45/97/186034597.db2.gz DEJOTEFGBSFSTH-CYBMUJFWSA-N 1 1 280.324 1.820 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000290947914 197867539 /nfs/dbraw/zinc/86/75/39/197867539.db2.gz CNWQTXXIHWHNIA-SNVBAGLBSA-N 1 1 267.333 1.917 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000311703101 350709384 /nfs/dbraw/zinc/70/93/84/350709384.db2.gz MJHQCSWYPUDHKP-NSHDSACASA-N 1 1 268.313 1.675 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000341027555 365992526 /nfs/dbraw/zinc/99/25/26/365992526.db2.gz LQGWTVZCKBKACN-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000341027555 365992531 /nfs/dbraw/zinc/99/25/31/365992531.db2.gz LQGWTVZCKBKACN-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000078941204 350879735 /nfs/dbraw/zinc/87/97/35/350879735.db2.gz TTXFKZDVGDOVLS-ZDUSSCGKSA-N 1 1 292.339 1.291 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155045627 188177880 /nfs/dbraw/zinc/17/78/80/188177880.db2.gz XFAZVCSRGZDVCH-GFCCVEGCSA-N 1 1 277.324 1.601 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413051286 363254013 /nfs/dbraw/zinc/25/40/13/363254013.db2.gz FTYAEOINAOPRGE-UHFFFAOYSA-N 1 1 286.307 1.509 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000411904593 363376433 /nfs/dbraw/zinc/37/64/33/363376433.db2.gz ABUJYHVFDIEPFO-RYUDHWBXSA-N 1 1 284.287 1.316 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000411904593 363376442 /nfs/dbraw/zinc/37/64/42/363376442.db2.gz ABUJYHVFDIEPFO-RYUDHWBXSA-N 1 1 284.287 1.316 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272190781 283079083 /nfs/dbraw/zinc/07/90/83/283079083.db2.gz MHOYBHZSEGEQHT-ZYHUDNBSSA-N 1 1 262.313 1.520 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)O ZINC000175264737 355927021 /nfs/dbraw/zinc/92/70/21/355927021.db2.gz KDDUHSIAEDEYGP-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)O ZINC000175264737 355927024 /nfs/dbraw/zinc/92/70/24/355927024.db2.gz KDDUHSIAEDEYGP-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000219295642 356306175 /nfs/dbraw/zinc/30/61/75/356306175.db2.gz VKDDNUDNJHTARY-QWRGUYRKSA-N 1 1 263.301 1.424 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](CO)C3)nc2c1 ZINC000175583027 356638810 /nfs/dbraw/zinc/63/88/10/356638810.db2.gz DTHTUDAZNABJIT-VIFPVBQESA-N 1 1 277.280 1.550 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](CO)C3)nc2c1 ZINC000175583027 356638815 /nfs/dbraw/zinc/63/88/15/356638815.db2.gz DTHTUDAZNABJIT-VIFPVBQESA-N 1 1 277.280 1.550 20 5 CDBDMO CC[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267898541 363560725 /nfs/dbraw/zinc/56/07/25/363560725.db2.gz XDXXJKFXFZLAAJ-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO CC[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267898541 363560727 /nfs/dbraw/zinc/56/07/27/363560727.db2.gz XDXXJKFXFZLAAJ-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H](C)O ZINC000075780892 356944412 /nfs/dbraw/zinc/94/44/12/356944412.db2.gz JPSCWENHVORLNH-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261930886 357341977 /nfs/dbraw/zinc/34/19/77/357341977.db2.gz LQXWVCVBLVTNFW-CWSCBRNRSA-N 1 1 293.323 1.149 20 5 CDBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676264 357565966 /nfs/dbraw/zinc/56/59/66/357565966.db2.gz JQRLGMKOEUQBHK-JQWIXIFHSA-N 1 1 252.318 1.912 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192470557 358205924 /nfs/dbraw/zinc/20/59/24/358205924.db2.gz JHRGYBHNSYDWOV-BETUJISGSA-N 1 1 289.335 1.157 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000192478942 358207398 /nfs/dbraw/zinc/20/73/98/358207398.db2.gz XKZDHZJMUXSMED-SNVBAGLBSA-N 1 1 298.368 1.210 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408206902 358399106 /nfs/dbraw/zinc/39/91/06/358399106.db2.gz UXEWRTKQQINVAW-LBPRGKRZSA-N 1 1 294.355 1.346 20 5 CDBDMO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000287853773 359131164 /nfs/dbraw/zinc/13/11/64/359131164.db2.gz LSRUQXSGEUYDAM-LLVKDONJSA-N 1 1 293.371 1.225 20 5 CDBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339631215 359420411 /nfs/dbraw/zinc/42/04/11/359420411.db2.gz RMGYOOBXAILXIP-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339631215 359420413 /nfs/dbraw/zinc/42/04/13/359420413.db2.gz RMGYOOBXAILXIP-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1[nH+]ccn1CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000347740768 359472400 /nfs/dbraw/zinc/47/24/00/359472400.db2.gz CEIBMXHCGZFTPF-UHFFFAOYSA-N 1 1 262.269 1.882 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000297147074 200097534 /nfs/dbraw/zinc/09/75/34/200097534.db2.gz REFNNLAGYSYRRH-UHFFFAOYSA-N 1 1 296.302 1.139 20 5 CDBDMO CC(C)[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000297289617 200136199 /nfs/dbraw/zinc/13/61/99/200136199.db2.gz AIRKTLFYWMBILB-CYBMUJFWSA-N 1 1 283.303 1.724 20 5 CDBDMO Cc1nc(NC[C@H](C)[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324784 200149174 /nfs/dbraw/zinc/14/91/74/200149174.db2.gz ZUZNQQCIUGFYOV-QMMMGPOBSA-N 1 1 265.317 1.588 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000092763837 361432701 /nfs/dbraw/zinc/43/27/01/361432701.db2.gz KIONLALMBQOYKF-JTQLQIEISA-N 1 1 296.323 1.426 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000092763837 361432706 /nfs/dbraw/zinc/43/27/06/361432706.db2.gz KIONLALMBQOYKF-JTQLQIEISA-N 1 1 296.323 1.426 20 5 CDBDMO NC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814060 241399265 /nfs/dbraw/zinc/39/92/65/241399265.db2.gz YXJVWHGZDSOVGH-HSBHDXMMSA-N 1 1 261.325 1.935 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000348634353 367589585 /nfs/dbraw/zinc/58/95/85/367589585.db2.gz LPAYXGCXRQQWDN-OLZOCXBDSA-N 1 1 266.297 1.095 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000295227705 291404901 /nfs/dbraw/zinc/40/49/01/291404901.db2.gz NNVRXKOUJBWANJ-ZDUSSCGKSA-N 1 1 281.287 1.368 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330677796 203106853 /nfs/dbraw/zinc/10/68/53/203106853.db2.gz VOGJVBIJXLMOCM-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330677796 203106857 /nfs/dbraw/zinc/10/68/57/203106857.db2.gz VOGJVBIJXLMOCM-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO COC(=O)[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413492144 284115817 /nfs/dbraw/zinc/11/58/17/284115817.db2.gz CJTZCAWDVNCWEV-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000170793240 369226765 /nfs/dbraw/zinc/22/67/65/369226765.db2.gz DCPGUKGMGFNMGK-UHFFFAOYSA-N 1 1 265.313 1.471 20 5 CDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351823128 369304572 /nfs/dbraw/zinc/30/45/72/369304572.db2.gz CKMXVHGJPUMYCQ-MFKMUULPSA-N 1 1 293.323 1.236 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000330839765 203299144 /nfs/dbraw/zinc/29/91/44/203299144.db2.gz VWRBGUMFMWRAQV-ZDUSSCGKSA-N 1 1 266.297 1.178 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914184 372025249 /nfs/dbraw/zinc/02/52/49/372025249.db2.gz MCILQCANJNDOOT-QMMMGPOBSA-N 1 1 269.326 1.338 20 5 CDBDMO CC[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000194487929 372884894 /nfs/dbraw/zinc/88/48/94/372884894.db2.gz JOAWEYGTJZQANF-UHFFFAOYSA-N 1 1 292.339 1.442 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000272962995 373672326 /nfs/dbraw/zinc/67/23/26/373672326.db2.gz AEOICZZUNGOFHU-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712111 373675041 /nfs/dbraw/zinc/67/50/41/373675041.db2.gz IKMXRXBBBHFVBF-JTQLQIEISA-N 1 1 272.276 1.425 20 5 CDBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091704664 374141042 /nfs/dbraw/zinc/14/10/42/374141042.db2.gz MSMVYDDXFBEJKQ-NSHDSACASA-N 1 1 275.312 1.879 20 5 CDBDMO C[C@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487762 374384983 /nfs/dbraw/zinc/38/49/83/374384983.db2.gz XTXNJEOAVMXHCS-FZMZJTMJSA-N 1 1 278.356 1.149 20 5 CDBDMO Cc1ccc([C@H](C)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530189 374389121 /nfs/dbraw/zinc/38/91/21/374389121.db2.gz WONOWGGOUKSVDD-WCQYABFASA-N 1 1 279.340 1.542 20 5 CDBDMO Nc1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184917 374541949 /nfs/dbraw/zinc/54/19/49/374541949.db2.gz CSMXNPHGDDHVBG-VXGBXAGGSA-N 1 1 292.339 1.452 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000092763838 374702082 /nfs/dbraw/zinc/70/20/82/374702082.db2.gz KIONLALMBQOYKF-SNVBAGLBSA-N 1 1 296.323 1.426 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000092763838 374702084 /nfs/dbraw/zinc/70/20/84/374702084.db2.gz KIONLALMBQOYKF-SNVBAGLBSA-N 1 1 296.323 1.426 20 5 CDBDMO Cc1[nH+]ccn1CCCCn1cnc([N+](=O)[O-])n1 ZINC000124661780 374834632 /nfs/dbraw/zinc/83/46/32/374834632.db2.gz PVENUBHMFQDSMY-UHFFFAOYSA-N 1 1 250.262 1.172 20 5 CDBDMO C[NH+](C)C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330420575 374850942 /nfs/dbraw/zinc/85/09/42/374850942.db2.gz GOHYPZWYSXJSBO-CYBMUJFWSA-N 1 1 295.339 1.063 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000279928552 374976245 /nfs/dbraw/zinc/97/62/45/374976245.db2.gz VHOCQXUYJPRDQV-UHFFFAOYSA-N 1 1 290.323 1.978 20 5 CDBDMO O=C(NCC[N@H+]1CC=CCC1)c1csc([N+](=O)[O-])c1 ZINC000280240594 374988594 /nfs/dbraw/zinc/98/85/94/374988594.db2.gz MVNAPJGFCRUHKS-UHFFFAOYSA-N 1 1 281.337 1.648 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1csc([N+](=O)[O-])c1 ZINC000280240594 374988600 /nfs/dbraw/zinc/98/86/00/374988600.db2.gz MVNAPJGFCRUHKS-UHFFFAOYSA-N 1 1 281.337 1.648 20 5 CDBDMO CCOCC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495908 375090617 /nfs/dbraw/zinc/09/06/17/375090617.db2.gz QIJXPJFZPYRWPS-HNNXBMFYSA-N 1 1 296.367 1.857 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nncn1C ZINC000344786752 375445633 /nfs/dbraw/zinc/44/56/33/375445633.db2.gz ADYVQKJMNAFHRC-IZZDOVSWSA-N 1 1 287.323 1.916 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000353500915 375619574 /nfs/dbraw/zinc/61/95/74/375619574.db2.gz YJYGCPOHRUQGPW-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC(O)C1 ZINC000353500915 375619579 /nfs/dbraw/zinc/61/95/79/375619579.db2.gz YJYGCPOHRUQGPW-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO COc1ccc(C[N@@H+](C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000353516851 375621234 /nfs/dbraw/zinc/62/12/34/375621234.db2.gz MHJHMLWRCLTNLD-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218937 375686063 /nfs/dbraw/zinc/68/60/63/375686063.db2.gz BYQYPYIFJLMJPO-ZJUUUORDSA-N 1 1 277.324 1.924 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000354572312 375725612 /nfs/dbraw/zinc/72/56/12/375725612.db2.gz QGTVAXYYBOLNCS-GFCCVEGCSA-N 1 1 291.355 1.553 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000354621747 375733450 /nfs/dbraw/zinc/73/34/50/375733450.db2.gz YTJHRKMULTZRHW-BXKDBHETSA-N 1 1 293.323 1.513 20 5 CDBDMO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000354813406 375753564 /nfs/dbraw/zinc/75/35/64/375753564.db2.gz CJDLYTUJCGRNHE-AWEZNQCLSA-N 1 1 296.323 1.341 20 5 CDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000354813406 375753569 /nfs/dbraw/zinc/75/35/69/375753569.db2.gz CJDLYTUJCGRNHE-AWEZNQCLSA-N 1 1 296.323 1.341 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CC1 ZINC000357437938 375910670 /nfs/dbraw/zinc/91/06/70/375910670.db2.gz LQGFBBMGOTUAGR-LLVKDONJSA-N 1 1 280.328 1.124 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000356880197 375866548 /nfs/dbraw/zinc/86/65/48/375866548.db2.gz NVSJGWNMYCLSJT-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000356880197 375866552 /nfs/dbraw/zinc/86/65/52/375866552.db2.gz NVSJGWNMYCLSJT-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO Cc1nn(C)c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487062940 376618726 /nfs/dbraw/zinc/61/87/26/376618726.db2.gz STEQQNZWBWZIHB-LLVKDONJSA-N 1 1 281.360 1.413 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000357405702 377342503 /nfs/dbraw/zinc/34/25/03/377342503.db2.gz BQBTYOGGTUSEQK-UWVGGRQHSA-N 1 1 280.328 1.146 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172293971 377432445 /nfs/dbraw/zinc/43/24/45/377432445.db2.gz BLZQTTBXXJZRDG-AWEZNQCLSA-N 1 1 294.351 1.877 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671950 377844565 /nfs/dbraw/zinc/84/45/65/377844565.db2.gz HPXUCFDNXBFCGN-PWSUYJOCSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266956428 378908087 /nfs/dbraw/zinc/90/80/87/378908087.db2.gz VRYORRUPKWJFCY-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)C1 ZINC000266956428 378908093 /nfs/dbraw/zinc/90/80/93/378908093.db2.gz VRYORRUPKWJFCY-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000069848022 378914875 /nfs/dbraw/zinc/91/48/75/378914875.db2.gz GRPFQTGBQLNVAJ-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)C2CC2)cc1 ZINC000048347619 285110624 /nfs/dbraw/zinc/11/06/24/285110624.db2.gz PMSARAXXOWEUBX-UHFFFAOYSA-N 1 1 250.298 1.594 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357833 390198872 /nfs/dbraw/zinc/19/88/72/390198872.db2.gz XZNQHFKVUSVPMA-JFGNBEQYSA-N 1 1 277.324 1.709 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411777010 390968272 /nfs/dbraw/zinc/96/82/72/390968272.db2.gz ZAWUOXCMIZQAGF-LBPRGKRZSA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413247170 391185294 /nfs/dbraw/zinc/18/52/94/391185294.db2.gz HUYVLURJTSLTDS-VHSXEESVSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000413247170 391185297 /nfs/dbraw/zinc/18/52/97/391185297.db2.gz HUYVLURJTSLTDS-VHSXEESVSA-N 1 1 298.318 1.020 20 5 CDBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000408068504 391239203 /nfs/dbraw/zinc/23/92/03/391239203.db2.gz VPXNXCQLXICPAZ-QWRGUYRKSA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035846 391248742 /nfs/dbraw/zinc/24/87/42/391248742.db2.gz LDZXNLBIZXOMGU-PBOSXPJTSA-N 1 1 275.352 1.723 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000343473201 391632044 /nfs/dbraw/zinc/63/20/44/391632044.db2.gz WVJLUEZWLVOOSM-IUCAKERBSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000343473201 391632048 /nfs/dbraw/zinc/63/20/48/391632048.db2.gz WVJLUEZWLVOOSM-IUCAKERBSA-N 1 1 283.353 1.869 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000251720977 131130298 /nfs/dbraw/zinc/13/02/98/131130298.db2.gz JXNZLRYLLNLUHE-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000251720977 131130300 /nfs/dbraw/zinc/13/03/00/131130300.db2.gz JXNZLRYLLNLUHE-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO Cc1cc(C(=O)NCC[N@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000264140185 131399582 /nfs/dbraw/zinc/39/95/82/131399582.db2.gz WIGUUZQUWVWLIJ-UHFFFAOYSA-N 1 1 292.339 1.309 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775250 392919173 /nfs/dbraw/zinc/91/91/73/392919173.db2.gz ANFAZBDCYJMSEP-SECBINFHSA-N 1 1 267.285 1.259 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000421708126 392942019 /nfs/dbraw/zinc/94/20/19/392942019.db2.gz ZFFRBUQSIKPXMB-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCOC1 ZINC000430220766 393092641 /nfs/dbraw/zinc/09/26/41/393092641.db2.gz QAULXDAQAMUBNJ-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCOC1 ZINC000430220766 393092646 /nfs/dbraw/zinc/09/26/46/393092646.db2.gz QAULXDAQAMUBNJ-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000430210180 393093704 /nfs/dbraw/zinc/09/37/04/393093704.db2.gz CPXBIYRSINNROB-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H](C)O ZINC000430223102 393095073 /nfs/dbraw/zinc/09/50/73/393095073.db2.gz XFPUEJLREPETQH-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426200667 393039754 /nfs/dbraw/zinc/03/97/54/393039754.db2.gz IXGWTEHTTNBIEV-MWLCHTKSSA-N 1 1 268.317 1.064 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426200667 393039760 /nfs/dbraw/zinc/03/97/60/393039760.db2.gz IXGWTEHTTNBIEV-MWLCHTKSSA-N 1 1 268.317 1.064 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531520066 393062819 /nfs/dbraw/zinc/06/28/19/393062819.db2.gz NRUGFWLELMAZLC-GFCCVEGCSA-N 1 1 289.335 1.431 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281850478 393159955 /nfs/dbraw/zinc/15/99/55/393159955.db2.gz JKQYQPPQTZQXMQ-UHFFFAOYSA-N 1 1 254.315 1.725 20 5 CDBDMO O=[N+]([O-])c1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261596489 140360544 /nfs/dbraw/zinc/36/05/44/140360544.db2.gz AGUMTOSXKQWNQO-HNNXBMFYSA-N 1 1 290.367 1.074 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000101961589 147143526 /nfs/dbraw/zinc/14/35/26/147143526.db2.gz DSPLQJHOGMPKOE-UHFFFAOYSA-N 1 1 255.274 1.258 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000334042190 149306209 /nfs/dbraw/zinc/30/62/09/149306209.db2.gz HZMABFILNMVJGY-UWVGGRQHSA-N 1 1 295.314 1.946 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000343071563 152021132 /nfs/dbraw/zinc/02/11/32/152021132.db2.gz FTPINOSKRMRRAG-QWRGUYRKSA-N 1 1 294.355 1.916 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343542654 152216913 /nfs/dbraw/zinc/21/69/13/152216913.db2.gz YQTOSXTVPMTYTH-JOYOIKCWSA-N 1 1 295.314 1.946 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545648 152218469 /nfs/dbraw/zinc/21/84/69/152218469.db2.gz ZAMKFAZQBRJVNL-VXGBXAGGSA-N 1 1 296.323 1.055 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352203269 155019195 /nfs/dbraw/zinc/01/91/95/155019195.db2.gz QHYOBUOTNXQTDI-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352203269 155019200 /nfs/dbraw/zinc/01/92/00/155019200.db2.gz QHYOBUOTNXQTDI-NSHDSACASA-N 1 1 293.323 1.644 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355782647 157233252 /nfs/dbraw/zinc/23/32/52/157233252.db2.gz MDIORQJELLERQA-CQSZACIVSA-N 1 1 294.355 1.721 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355782647 157233255 /nfs/dbraw/zinc/23/32/55/157233255.db2.gz MDIORQJELLERQA-CQSZACIVSA-N 1 1 294.355 1.721 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N(C)C ZINC000359792797 158379944 /nfs/dbraw/zinc/37/99/44/158379944.db2.gz AOYCGFXCKDFXRJ-MRVPVSSYSA-N 1 1 269.276 1.300 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000372453226 160122503 /nfs/dbraw/zinc/12/25/03/160122503.db2.gz GWTKMCNHTURMRF-ZOWXZIJZSA-N 1 1 290.319 1.824 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000020941414 171281827 /nfs/dbraw/zinc/28/18/27/171281827.db2.gz SMVVFGLIRJKRHY-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000020941414 171281829 /nfs/dbraw/zinc/28/18/29/171281829.db2.gz SMVVFGLIRJKRHY-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO CCCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285178985 196214959 /nfs/dbraw/zinc/21/49/59/196214959.db2.gz BPTOTBOPEZXYFJ-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO CCCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285178985 196214961 /nfs/dbraw/zinc/21/49/61/196214961.db2.gz BPTOTBOPEZXYFJ-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO CCCCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285468341 196293368 /nfs/dbraw/zinc/29/33/68/196293368.db2.gz ZWXFKTQDUCWODI-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO CCCCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285468341 196293370 /nfs/dbraw/zinc/29/33/70/196293370.db2.gz ZWXFKTQDUCWODI-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569986 196330735 /nfs/dbraw/zinc/33/07/35/196330735.db2.gz HOZUTKBKDVREFX-NEPJUHHUSA-N 1 1 298.339 1.301 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C ZINC000044563279 175206343 /nfs/dbraw/zinc/20/63/43/175206343.db2.gz ZZOLXWXIZSXMLW-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000071908312 176297099 /nfs/dbraw/zinc/29/70/99/176297099.db2.gz NODYTRCAGXOJLM-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000071908312 176297100 /nfs/dbraw/zinc/29/71/00/176297100.db2.gz NODYTRCAGXOJLM-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805719 262368212 /nfs/dbraw/zinc/36/82/12/262368212.db2.gz KOUHOJFGRFJYTR-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO Cc1ccnc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489882203 274818564 /nfs/dbraw/zinc/81/85/64/274818564.db2.gz HHBJSZQDAOHAJH-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339629604 276140090 /nfs/dbraw/zinc/14/00/90/276140090.db2.gz UWBDFDPWZUXEAE-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339629604 276140091 /nfs/dbraw/zinc/14/00/91/276140091.db2.gz UWBDFDPWZUXEAE-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO COCC[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185132232 277526904 /nfs/dbraw/zinc/52/69/04/277526904.db2.gz PGZAJRRKEZACPI-UHFFFAOYSA-N 1 1 295.339 1.372 20 5 CDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000291191642 279118595 /nfs/dbraw/zinc/11/85/95/279118595.db2.gz SUTGFVSUJQDGID-IUODEOHRSA-N 1 1 291.351 1.894 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000441384847 279734081 /nfs/dbraw/zinc/73/40/81/279734081.db2.gz QXKASIYAIHWGKL-UFBFGSQYSA-N 1 1 297.742 1.862 20 5 CDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776651 290368871 /nfs/dbraw/zinc/36/88/71/290368871.db2.gz CXECUJYCSBOUTN-SNVBAGLBSA-N 1 1 295.343 1.264 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938372 293220736 /nfs/dbraw/zinc/22/07/36/293220736.db2.gz KNHQCYOMSVUSFK-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)n1 ZINC000574914384 295076368 /nfs/dbraw/zinc/07/63/68/295076368.db2.gz MKNJMAHHTPXZHW-STQMWFEESA-N 1 1 294.355 1.682 20 5 CDBDMO CC[N@@H+](C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000583332555 325155851 /nfs/dbraw/zinc/15/58/51/325155851.db2.gz LGFBUAXVCFRVJH-UHFFFAOYSA-N 1 1 253.302 1.967 20 5 CDBDMO Cc1c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151265 327050461 /nfs/dbraw/zinc/05/04/61/327050461.db2.gz RMUJYKBRYMWMGN-ZDUSSCGKSA-N 1 1 291.351 1.956 20 5 CDBDMO CC[NH+](CC)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269108403 535539061 /nfs/dbraw/zinc/53/90/61/535539061.db2.gz CGZHUOLYLWQNBO-UHFFFAOYSA-N 1 1 281.312 1.372 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212854 525849120 /nfs/dbraw/zinc/84/91/20/525849120.db2.gz SXGURKCDJVPVLM-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000741754828 576571203 /nfs/dbraw/zinc/57/12/03/576571203.db2.gz XWWXTLZWRNHRMD-LBPRGKRZSA-N 1 1 296.327 1.019 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000741754828 576571205 /nfs/dbraw/zinc/57/12/05/576571205.db2.gz XWWXTLZWRNHRMD-LBPRGKRZSA-N 1 1 296.327 1.019 20 5 CDBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000743359651 576634953 /nfs/dbraw/zinc/63/49/53/576634953.db2.gz VNOBRVKWMGVXQF-UHFFFAOYSA-N 1 1 296.327 1.414 20 5 CDBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1nccc1[N+](=O)[O-] ZINC000743359651 576634954 /nfs/dbraw/zinc/63/49/54/576634954.db2.gz VNOBRVKWMGVXQF-UHFFFAOYSA-N 1 1 296.327 1.414 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344907 576675956 /nfs/dbraw/zinc/67/59/56/576675956.db2.gz HPZDNADBENMTRX-GFCCVEGCSA-N 1 1 291.351 1.738 20 5 CDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCCC2)C1 ZINC000950055612 614651572 /nfs/dbraw/zinc/65/15/72/614651572.db2.gz GNXKDRPWHZOYPZ-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892123469 617492539 /nfs/dbraw/zinc/49/25/39/617492539.db2.gz STKFPIRXYNNNIZ-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000892242008 617573012 /nfs/dbraw/zinc/57/30/12/617573012.db2.gz NNMDJMRLVZPLKZ-JOYOIKCWSA-N 1 1 296.323 1.512 20 5 CDBDMO C[C@@H]([NH2+][C@@H]1C(=O)NCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000931663705 617620306 /nfs/dbraw/zinc/62/03/06/617620306.db2.gz VFMSMTXVEOXKHW-BXKDBHETSA-N 1 1 277.324 1.770 20 5 CDBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+](C)C1CC1 ZINC000892302753 617724886 /nfs/dbraw/zinc/72/48/86/617724886.db2.gz ALYQKPZYJZGGGW-MRVPVSSYSA-N 1 1 253.306 1.223 20 5 CDBDMO CC(=O)c1ccc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941923 618206582 /nfs/dbraw/zinc/20/65/82/618206582.db2.gz XOJFFACUFLJZKG-SWLSCSKDSA-N 1 1 289.335 1.938 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244892 619485478 /nfs/dbraw/zinc/48/54/78/619485478.db2.gz ADZXVKHMCQGGAE-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244892 619485480 /nfs/dbraw/zinc/48/54/80/619485480.db2.gz ADZXVKHMCQGGAE-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895244892 619485481 /nfs/dbraw/zinc/48/54/81/619485481.db2.gz ADZXVKHMCQGGAE-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895244892 619485482 /nfs/dbraw/zinc/48/54/82/619485482.db2.gz ADZXVKHMCQGGAE-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO CC[N@H+](C[C@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000738084103 619867651 /nfs/dbraw/zinc/86/76/51/619867651.db2.gz YTBCYOQNIUAOHA-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000738084103 619867654 /nfs/dbraw/zinc/86/76/54/619867654.db2.gz YTBCYOQNIUAOHA-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO CCN(CC)c1ccc(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905050867 626387182 /nfs/dbraw/zinc/38/71/82/626387182.db2.gz QWHFDVMWJQUUQK-UHFFFAOYSA-N 1 1 252.318 1.294 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000905058443 626608529 /nfs/dbraw/zinc/60/85/29/626608529.db2.gz GZOHBUAHFXHREE-CHWSQXEVSA-N 1 1 268.288 1.912 20 5 CDBDMO CC(C)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966633 1161996411 /nfs/dbraw/zinc/99/64/11/1161996411.db2.gz KHRVLRBZHZAGCG-JSGCOSHPSA-N 1 1 269.389 1.894 20 5 CDBDMO COc1cc(C)nc(NC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001157532078 1162158201 /nfs/dbraw/zinc/15/82/01/1162158201.db2.gz QELIROQIUNMBNB-UHFFFAOYSA-N 1 1 280.328 1.811 20 5 CDBDMO C[NH+](C)CC(C)(C)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158604476 1178225369 /nfs/dbraw/zinc/22/53/69/1178225369.db2.gz WHVAPFOJXXZHSQ-AWEZNQCLSA-N 1 1 295.383 1.806 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301752538 719372523 /nfs/dbraw/zinc/37/25/23/719372523.db2.gz VNSLRFGAIYZINC-MNOVXSKESA-N 1 1 298.730 1.162 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815638 828825272 /nfs/dbraw/zinc/82/52/72/828825272.db2.gz HCLINDIKMUPYKQ-CHWSQXEVSA-N 1 1 294.355 1.601 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000929809186 828969047 /nfs/dbraw/zinc/96/90/47/828969047.db2.gz KRWPHQLKXHWRML-QWRGUYRKSA-N 1 1 270.354 1.913 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825897311 829038442 /nfs/dbraw/zinc/03/84/42/829038442.db2.gz YYAJCSBSUFHYKY-CYBMUJFWSA-N 1 1 295.339 1.085 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494443 829080066 /nfs/dbraw/zinc/08/00/66/829080066.db2.gz CKKZQGFFXAEHHN-MRVPVSSYSA-N 1 1 264.285 1.067 20 5 CDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672376 833362969 /nfs/dbraw/zinc/36/29/69/833362969.db2.gz FTQFZHKQMABCGW-ZLDLUXBVSA-N 1 1 294.351 1.721 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000810616354 829769913 /nfs/dbraw/zinc/76/99/13/829769913.db2.gz VTCPUILHPHVZPL-SECBINFHSA-N 1 1 292.295 1.684 20 5 CDBDMO C[NH2+]CCC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886833111 829923555 /nfs/dbraw/zinc/92/35/55/829923555.db2.gz STAZJFFOROLDME-UHFFFAOYSA-N 1 1 278.356 1.811 20 5 CDBDMO C[C@](CO)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886003299 830180911 /nfs/dbraw/zinc/18/09/11/830180911.db2.gz AGSUBGBPYOCOQK-OAHLLOKOSA-N 1 1 287.319 1.987 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cocn2)c1 ZINC000819038332 830280266 /nfs/dbraw/zinc/28/02/66/830280266.db2.gz DGEYAQHTRPDQPI-GFCCVEGCSA-N 1 1 263.253 1.406 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000886034462 830580391 /nfs/dbraw/zinc/58/03/91/830580391.db2.gz AEMCXCSUSDERLD-NSHDSACASA-N 1 1 251.286 1.193 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000886034462 830580409 /nfs/dbraw/zinc/58/04/09/830580409.db2.gz AEMCXCSUSDERLD-NSHDSACASA-N 1 1 251.286 1.193 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1 ZINC000843145801 830764927 /nfs/dbraw/zinc/76/49/27/830764927.db2.gz QADRMDNIAJDCDK-UHFFFAOYSA-N 1 1 277.284 1.796 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839393270 832084436 /nfs/dbraw/zinc/08/44/36/832084436.db2.gz ZRDFWSHVWDPICV-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000839393270 832084444 /nfs/dbraw/zinc/08/44/44/832084444.db2.gz ZRDFWSHVWDPICV-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348433 832200201 /nfs/dbraw/zinc/20/02/01/832200201.db2.gz GDGPACGPJBMAQG-WCQYABFASA-N 1 1 268.313 1.331 20 5 CDBDMO COCCOCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791586 832227445 /nfs/dbraw/zinc/22/74/45/832227445.db2.gz FBTVLMJFRVKZJU-AWEZNQCLSA-N 1 1 298.339 1.223 20 5 CDBDMO [NH3+]Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000842651149 832600246 /nfs/dbraw/zinc/60/02/46/832600246.db2.gz TYIBOEROQYAOPO-UHFFFAOYSA-N 1 1 289.295 1.704 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195476 832720666 /nfs/dbraw/zinc/72/06/66/832720666.db2.gz ZDMSICVBPVAVSP-HIFRSBDPSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195476 832720674 /nfs/dbraw/zinc/72/06/74/832720674.db2.gz ZDMSICVBPVAVSP-HIFRSBDPSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[C@@H]1CN(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195476 832720687 /nfs/dbraw/zinc/72/06/87/832720687.db2.gz ZDMSICVBPVAVSP-HIFRSBDPSA-N 1 1 293.367 1.654 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872320182 832834084 /nfs/dbraw/zinc/83/40/84/832834084.db2.gz LVOFSGVRYSUHHE-SCRDCRAPSA-N 1 1 278.308 1.206 20 5 CDBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886315659 834188361 /nfs/dbraw/zinc/18/83/61/834188361.db2.gz WIUIHCZGZLQHSG-NSHDSACASA-N 1 1 265.313 1.583 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782617870 834539804 /nfs/dbraw/zinc/53/98/04/834539804.db2.gz GHUPAVHICMPPMA-RISCZKNCSA-N 1 1 278.308 1.288 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCNC1=O ZINC000799737423 834567929 /nfs/dbraw/zinc/56/79/29/834567929.db2.gz FAJWUALVHQGPCE-LBPRGKRZSA-N 1 1 297.742 1.959 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCNC1=O ZINC000799737423 834567943 /nfs/dbraw/zinc/56/79/43/834567943.db2.gz FAJWUALVHQGPCE-LBPRGKRZSA-N 1 1 297.742 1.959 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869871 834663478 /nfs/dbraw/zinc/66/34/78/834663478.db2.gz BEKIAODJWIZDSH-ZYHUDNBSSA-N 1 1 283.372 1.421 20 5 CDBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930856222 834740524 /nfs/dbraw/zinc/74/05/24/834740524.db2.gz FFVGTIFRXRUENO-LLVKDONJSA-N 1 1 272.345 1.849 20 5 CDBDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930856222 834740540 /nfs/dbraw/zinc/74/05/40/834740540.db2.gz FFVGTIFRXRUENO-LLVKDONJSA-N 1 1 272.345 1.849 20 5 CDBDMO O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660489 834849502 /nfs/dbraw/zinc/84/95/02/834849502.db2.gz ISYJZVXWUCMTKK-ZIAGYGMSSA-N 1 1 295.383 1.280 20 5 CDBDMO CC(C)(C)OC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929490126 834889888 /nfs/dbraw/zinc/88/98/88/834889888.db2.gz JLHFWHOVOIWGBK-UHFFFAOYSA-N 1 1 258.318 1.317 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451295 835032417 /nfs/dbraw/zinc/03/24/17/835032417.db2.gz SHKFKROQZNNEAF-GXFFZTMASA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172295419 835044872 /nfs/dbraw/zinc/04/48/72/835044872.db2.gz QMXOVAUQDXUHCP-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172295419 835044884 /nfs/dbraw/zinc/04/48/84/835044884.db2.gz QMXOVAUQDXUHCP-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000928565424 835185423 /nfs/dbraw/zinc/18/54/23/835185423.db2.gz LFSQWALRMHPIKN-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000928565424 835185444 /nfs/dbraw/zinc/18/54/44/835185444.db2.gz LFSQWALRMHPIKN-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cccc(NCCNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]1 ZINC000825931720 835567597 /nfs/dbraw/zinc/56/75/97/835567597.db2.gz KSLKFOMAIFDGIO-UHFFFAOYSA-N 1 1 294.355 1.754 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881960196 835716552 /nfs/dbraw/zinc/71/65/52/835716552.db2.gz IFKURVBFEBJRDA-SECBINFHSA-N 1 1 268.292 1.883 20 5 CDBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCF)CC2)cn1 ZINC001226708744 905477864 /nfs/dbraw/zinc/47/78/64/905477864.db2.gz CIEBJGOSGHERRQ-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO Cc1ccc(F)c(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936415 909929075 /nfs/dbraw/zinc/92/90/75/909929075.db2.gz GQCABSHNGYDUHG-DGCLKSJQSA-N 1 1 295.314 1.005 20 5 CDBDMO CC(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000839524708 936914507 /nfs/dbraw/zinc/91/45/07/936914507.db2.gz IXXJMXRSZTZVKL-MCIONIFRSA-N 1 1 297.399 1.524 20 5 CDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168980403 927569368 /nfs/dbraw/zinc/56/93/68/927569368.db2.gz DGASYPNVBJGNBB-MNOVXSKESA-N 1 1 270.329 1.507 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168956959 927578373 /nfs/dbraw/zinc/57/83/73/927578373.db2.gz DABPGXIIGVMCRL-GARJFASQSA-N 1 1 272.345 1.609 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]1(C)O ZINC001169012221 927617588 /nfs/dbraw/zinc/61/75/88/927617588.db2.gz OTGZWAHFLOLANB-RQJABVFESA-N 1 1 270.373 1.915 20 5 CDBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]1CO ZINC001169011409 927618255 /nfs/dbraw/zinc/61/82/55/927618255.db2.gz KEHIELMOPGUKND-XQHKEYJVSA-N 1 1 256.346 1.525 20 5 CDBDMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033022 927641581 /nfs/dbraw/zinc/64/15/81/927641581.db2.gz BCNUPRDGEYWLDI-RWMBFGLXSA-N 1 1 256.346 1.933 20 5 CDBDMO CC[N@@H+](CCN1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033218 927642674 /nfs/dbraw/zinc/64/26/74/927642674.db2.gz BKLITNBGMOBDRG-UONOGXRCSA-N 1 1 269.389 1.850 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)CO3)C1 ZINC001169035173 927644092 /nfs/dbraw/zinc/64/40/92/927644092.db2.gz BBXPRNZFASLMBL-NXEZZACHSA-N 1 1 276.283 1.542 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC001169039667 927650160 /nfs/dbraw/zinc/65/01/60/927650160.db2.gz RXVDZNINVOHINO-VNHYZAJKSA-N 1 1 291.351 1.980 20 5 CDBDMO CC(C)CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169019092 927660254 /nfs/dbraw/zinc/66/02/54/927660254.db2.gz GUKQVNGHWRKIOA-KGLIPLIRSA-N 1 1 269.389 1.705 20 5 CDBDMO C[N@@H+]1CCc2c(NCC3OCCO3)ccc([N+](=O)[O-])c2C1 ZINC001169065560 927682583 /nfs/dbraw/zinc/68/25/83/927682583.db2.gz FZYSHPVCYAAXFS-UHFFFAOYSA-N 1 1 293.323 1.368 20 5 CDBDMO C[N@H+]1CCc2c(NCC3OCCO3)ccc([N+](=O)[O-])c2C1 ZINC001169065560 927682588 /nfs/dbraw/zinc/68/25/88/927682588.db2.gz FZYSHPVCYAAXFS-UHFFFAOYSA-N 1 1 293.323 1.368 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156658783 928894713 /nfs/dbraw/zinc/89/47/13/928894713.db2.gz ILSJIPDAGHBVFR-ZDUSSCGKSA-N 1 1 285.307 1.807 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)C(C)C)C2)n1 ZINC001157010035 929101068 /nfs/dbraw/zinc/10/10/68/929101068.db2.gz OALNLQGDIKTVJT-NSHDSACASA-N 1 1 279.344 1.612 20 5 CDBDMO CC[N+](C)(C)Cc1ccccc1NC[C@H]1COCCN1 ZINC001170042253 929123773 /nfs/dbraw/zinc/12/37/73/929123773.db2.gz BPSZBABIZYQCSV-HNNXBMFYSA-N 1 1 278.420 1.683 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157262984 929397892 /nfs/dbraw/zinc/39/78/92/929397892.db2.gz ZMBSUPKRURIZIV-SKDRFNHKSA-N 1 1 280.303 1.659 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159784013 930846551 /nfs/dbraw/zinc/84/65/51/930846551.db2.gz GJXMCSAJEFFJEX-SSDOTTSWSA-N 1 1 294.142 1.732 20 5 CDBDMO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC001118496571 937633870 /nfs/dbraw/zinc/63/38/70/937633870.db2.gz ZAYMMFOZIUBXJL-JTQLQIEISA-N 1 1 297.311 1.809 20 5 CDBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC001118496571 937633872 /nfs/dbraw/zinc/63/38/72/937633872.db2.gz ZAYMMFOZIUBXJL-JTQLQIEISA-N 1 1 297.311 1.809 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687596193 934338350 /nfs/dbraw/zinc/33/83/50/934338350.db2.gz QWHZEZLLETWPJX-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687596193 934338356 /nfs/dbraw/zinc/33/83/56/934338356.db2.gz QWHZEZLLETWPJX-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO CN(C)C1(CNc2cccc([N+](=O)[O-])n2)CC[NH+](C)CC1 ZINC001156176993 938329209 /nfs/dbraw/zinc/32/92/09/938329209.db2.gz XQKZYZOSBXWDRM-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156590571 938390588 /nfs/dbraw/zinc/39/05/88/938390588.db2.gz NASQKIGPOQZKKA-GFCCVEGCSA-N 1 1 295.314 1.804 20 5 CDBDMO C[NH+](C)/C=C/c1cc(NCC2OCCO2)ncc1[N+](=O)[O-] ZINC001158201666 938594862 /nfs/dbraw/zinc/59/48/62/938594862.db2.gz UTVXTYXDXDJOIW-ONEGZZNKSA-N 1 1 294.311 1.307 20 5 CDBDMO Cc1cc(N[C@H](N)CCC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001159785872 938753092 /nfs/dbraw/zinc/75/30/92/938753092.db2.gz USDDQHJYINWIKU-ZDUSSCGKSA-N 1 1 289.339 1.887 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2nccnc2[N+](=O)[O-])C1 ZINC001165261693 939535770 /nfs/dbraw/zinc/53/57/70/939535770.db2.gz RZMWKFNXBJIMTE-SNVBAGLBSA-N 1 1 265.317 1.529 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593454 941886089 /nfs/dbraw/zinc/88/60/89/941886089.db2.gz QVUIMXIGWWPGEN-JTQLQIEISA-N 1 1 251.286 1.851 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666448 941897023 /nfs/dbraw/zinc/89/70/23/941897023.db2.gz IYRMJRSUXNJHNO-SECBINFHSA-N 1 1 267.285 1.557 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230311839 942605191 /nfs/dbraw/zinc/60/51/91/942605191.db2.gz AUUFCHPQERBQFU-VIFPVBQESA-N 1 1 281.268 1.976 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053261 942769511 /nfs/dbraw/zinc/76/95/11/942769511.db2.gz NBWPHZJQBXSTNF-SECBINFHSA-N 1 1 274.280 1.621 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)C1 ZINC001233548941 943615277 /nfs/dbraw/zinc/61/52/77/943615277.db2.gz ANFVVFQMRCUYNQ-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO CC(=O)c1ccc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000388157368 944138453 /nfs/dbraw/zinc/13/84/53/944138453.db2.gz RRWFVNJOGNJDEI-NSHDSACASA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1ccc(O[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000388157368 944138456 /nfs/dbraw/zinc/13/84/56/944138456.db2.gz RRWFVNJOGNJDEI-NSHDSACASA-N 1 1 264.281 1.880 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001254563547 947528108 /nfs/dbraw/zinc/52/81/08/947528108.db2.gz YGCWLXUEHATVQB-SMDDNHRTSA-N 1 1 291.351 1.866 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C(N)=O ZINC001254563547 947528114 /nfs/dbraw/zinc/52/81/14/947528114.db2.gz YGCWLXUEHATVQB-SMDDNHRTSA-N 1 1 291.351 1.866 20 5 CDBDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605078 947553216 /nfs/dbraw/zinc/55/32/16/947553216.db2.gz ZXLZNODGQSLIOR-XHSDSOJGSA-N 1 1 287.363 1.840 20 5 CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605078 947553224 /nfs/dbraw/zinc/55/32/24/947553224.db2.gz ZXLZNODGQSLIOR-XHSDSOJGSA-N 1 1 287.363 1.840 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605078 947553229 /nfs/dbraw/zinc/55/32/29/947553229.db2.gz ZXLZNODGQSLIOR-XHSDSOJGSA-N 1 1 287.363 1.840 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]13CCOC3)C2 ZINC001254610526 947555068 /nfs/dbraw/zinc/55/50/68/947555068.db2.gz KLMCZAXJRWGMGT-LSDHHAIUSA-N 1 1 274.320 1.927 20 5 CDBDMO C[N@@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246916329 948516646 /nfs/dbraw/zinc/51/66/46/948516646.db2.gz ZXRGFXZGUIDAPG-CYBMUJFWSA-N 1 1 264.325 1.766 20 5 CDBDMO CC(C)[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329878256 956159074 /nfs/dbraw/zinc/15/90/74/956159074.db2.gz PNCSXNZQLKZWTQ-ZDUSSCGKSA-N 1 1 250.298 1.927 20 5 CDBDMO CC(C)[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329878256 956159084 /nfs/dbraw/zinc/15/90/84/956159084.db2.gz PNCSXNZQLKZWTQ-ZDUSSCGKSA-N 1 1 250.298 1.927 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC001306059182 956301382 /nfs/dbraw/zinc/30/13/82/956301382.db2.gz ZQLCWUXKUCPCRZ-NSHDSACASA-N 1 1 292.339 1.464 20 5 CDBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC001308169518 956486981 /nfs/dbraw/zinc/48/69/81/956486981.db2.gz ZRWAVGPEWRGECE-ZDUSSCGKSA-N 1 1 296.371 1.928 20 5 CDBDMO CC[C@@H](CO)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC001332869857 957906278 /nfs/dbraw/zinc/90/62/78/957906278.db2.gz XOHICUZNGLKCJS-ZDUSSCGKSA-N 1 1 252.314 1.536 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC001335822558 960045724 /nfs/dbraw/zinc/04/57/24/960045724.db2.gz WBRQZCCWWDNZNZ-UHFFFAOYSA-N 1 1 279.344 1.071 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](CF)C2)c(C)c1[N+](=O)[O-] ZINC001353199012 967771552 /nfs/dbraw/zinc/77/15/52/967771552.db2.gz MFIBAQIRIVHPLV-JTQLQIEISA-N 1 1 256.281 1.657 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](CF)C2)c(C)c1[N+](=O)[O-] ZINC001353199012 967771555 /nfs/dbraw/zinc/77/15/55/967771555.db2.gz MFIBAQIRIVHPLV-JTQLQIEISA-N 1 1 256.281 1.657 20 5 CDBDMO C[C@@H]1CC[N@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311078 967885328 /nfs/dbraw/zinc/88/53/28/967885328.db2.gz NOXWJVYAYSAMDB-IUODEOHRSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311078 967885330 /nfs/dbraw/zinc/88/53/30/967885330.db2.gz NOXWJVYAYSAMDB-IUODEOHRSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000145839593 342451989 /nfs/dbraw/zinc/45/19/89/342451989.db2.gz APAWZZHYAHQEPL-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000145839593 342451990 /nfs/dbraw/zinc/45/19/90/342451990.db2.gz APAWZZHYAHQEPL-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590582721 342576828 /nfs/dbraw/zinc/57/68/28/342576828.db2.gz TYZWMFVMRCRQLG-GXSJLCMTSA-N 1 1 277.328 1.102 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000609201025 342096124 /nfs/dbraw/zinc/09/61/24/342096124.db2.gz KGYGTLDPMQLBAA-NSHDSACASA-N 1 1 263.297 1.163 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCC[NH2+]C2CC2)n1 ZINC000591577289 342637818 /nfs/dbraw/zinc/63/78/18/342637818.db2.gz MKGMCSOIGLNNSI-QWHCGFSZSA-N 1 1 293.371 1.617 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593061491 342761035 /nfs/dbraw/zinc/76/10/35/342761035.db2.gz CEVHLPLXADNQRV-JQWIXIFHSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000593061491 342761036 /nfs/dbraw/zinc/76/10/36/342761036.db2.gz CEVHLPLXADNQRV-JQWIXIFHSA-N 1 1 268.317 1.291 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609659 361883352 /nfs/dbraw/zinc/88/33/52/361883352.db2.gz QKHPVCZXMSGPSH-NXEZZACHSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593188198 342776252 /nfs/dbraw/zinc/77/62/52/342776252.db2.gz YNWFADNVVCWSAV-HBNTYKKESA-N 1 1 294.355 1.486 20 5 CDBDMO C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CC[NH3+] ZINC000593733972 342830669 /nfs/dbraw/zinc/83/06/69/342830669.db2.gz PPURBMXHFYJSHS-DGCLKSJQSA-N 1 1 281.360 1.241 20 5 CDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000534139693 282166496 /nfs/dbraw/zinc/16/64/96/282166496.db2.gz BYMMAXFXZPHTLT-UHFFFAOYSA-N 1 1 279.340 1.877 20 5 CDBDMO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1 ZINC000056508514 342234369 /nfs/dbraw/zinc/23/43/69/342234369.db2.gz VAFBZXKWZZRINR-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1 ZINC000056508514 342234370 /nfs/dbraw/zinc/23/43/70/342234370.db2.gz VAFBZXKWZZRINR-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354006696 282167457 /nfs/dbraw/zinc/16/74/57/282167457.db2.gz NBPCHXUKOXELNQ-SNVBAGLBSA-N 1 1 292.339 1.464 20 5 CDBDMO Cc1noc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1[N+](=O)[O-] ZINC000595456109 343067655 /nfs/dbraw/zinc/06/76/55/343067655.db2.gz WCGLNAQPYKMNKW-SNVBAGLBSA-N 1 1 289.291 1.854 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000595524668 343089016 /nfs/dbraw/zinc/08/90/16/343089016.db2.gz MTGBAPGEXHWBFE-RISCZKNCSA-N 1 1 279.315 1.870 20 5 CDBDMO O=c1[nH]ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079352 343227288 /nfs/dbraw/zinc/22/72/88/343227288.db2.gz OYTVJCIYESPRAJ-VIFPVBQESA-N 1 1 278.312 1.592 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242665 343285022 /nfs/dbraw/zinc/28/50/22/343285022.db2.gz UGKJEBITZIPVNX-ZDUSSCGKSA-N 1 1 278.312 1.227 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000305143128 529933322 /nfs/dbraw/zinc/93/33/22/529933322.db2.gz XCHCWBXYRXNXAJ-UHFFFAOYSA-N 1 1 282.340 1.060 20 5 CDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025579310 344166768 /nfs/dbraw/zinc/16/67/68/344166768.db2.gz QYIBZUFZSLYRDG-UHFFFAOYSA-N 1 1 292.339 1.217 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602083547 344328801 /nfs/dbraw/zinc/32/88/01/344328801.db2.gz DIQLGXPUTWZIEK-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000602778646 344594276 /nfs/dbraw/zinc/59/42/76/344594276.db2.gz MSOFMKSXSXDTGF-ZJUUUORDSA-N 1 1 252.318 1.830 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343516027 362491230 /nfs/dbraw/zinc/49/12/30/362491230.db2.gz KJBNLJLZELWSMG-FZMZJTMJSA-N 1 1 291.351 1.736 20 5 CDBDMO CN1CC[NH+](CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603842838 344837923 /nfs/dbraw/zinc/83/79/23/344837923.db2.gz PPRDYVOPHQMTLD-UHFFFAOYSA-N 1 1 279.344 1.039 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726178 362511763 /nfs/dbraw/zinc/51/17/63/362511763.db2.gz GMQWNAVPPVRSMH-NSHDSACASA-N 1 1 265.313 1.488 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000611191119 346685429 /nfs/dbraw/zinc/68/54/29/346685429.db2.gz NFNFQSMJEJLKKU-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000611191119 346685432 /nfs/dbraw/zinc/68/54/32/346685432.db2.gz NFNFQSMJEJLKKU-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[C@H]([NH2+]CC(=O)Nc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000611383365 346773820 /nfs/dbraw/zinc/77/38/20/346773820.db2.gz UWLUYPLPBKYHBW-VIFPVBQESA-N 1 1 290.279 1.294 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000611299133 346741020 /nfs/dbraw/zinc/74/10/20/346741020.db2.gz QKRAUQUANDKRKR-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO COCC[N@H+]1CCC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078660357 350839896 /nfs/dbraw/zinc/83/98/96/350839896.db2.gz DKJWINAEMWMXIW-GFCCVEGCSA-N 1 1 294.355 1.821 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273505904 192179052 /nfs/dbraw/zinc/17/90/52/192179052.db2.gz WADSGEYDZNOPKE-SNVBAGLBSA-N 1 1 296.302 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279821137 363308011 /nfs/dbraw/zinc/30/80/11/363308011.db2.gz QMSUXYQVLNCSNB-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279821137 363308021 /nfs/dbraw/zinc/30/80/21/363308021.db2.gz QMSUXYQVLNCSNB-CYBMUJFWSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290529749 357213055 /nfs/dbraw/zinc/21/30/55/357213055.db2.gz DBQXEOFICQCYDV-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335822 357178350 /nfs/dbraw/zinc/17/83/50/357178350.db2.gz QGOPNACCBLUEHX-SNVBAGLBSA-N 1 1 266.297 1.836 20 5 CDBDMO CSC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000187816252 357809913 /nfs/dbraw/zinc/80/99/13/357809913.db2.gz JJMGDPWRZRMZKP-NSHDSACASA-N 1 1 270.354 1.751 20 5 CDBDMO Cn1c[nH+]cc1CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436474433 358744408 /nfs/dbraw/zinc/74/44/08/358744408.db2.gz GRLWALVJDREIJH-UHFFFAOYSA-N 1 1 261.285 1.645 20 5 CDBDMO C[C@@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176251358 358751174 /nfs/dbraw/zinc/75/11/74/358751174.db2.gz WJWLSMPSXFVERA-SECBINFHSA-N 1 1 256.331 1.229 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000342365461 359023994 /nfs/dbraw/zinc/02/39/94/359023994.db2.gz WCMGTUWOCSRVHG-ZJUUUORDSA-N 1 1 292.339 1.588 20 5 CDBDMO COCC[N@@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000287679672 359104220 /nfs/dbraw/zinc/10/42/20/359104220.db2.gz DEGVDOSHOHAAIP-UHFFFAOYSA-N 1 1 271.292 1.724 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342565777 359105822 /nfs/dbraw/zinc/10/58/22/359105822.db2.gz PKEQFOHREKOBMX-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC(=O)NCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360608 359119157 /nfs/dbraw/zinc/11/91/57/359119157.db2.gz OOGDFOPJASSMRL-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO COC(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000050065003 359289879 /nfs/dbraw/zinc/28/98/79/359289879.db2.gz WYDRCOUHAYEHNS-UHFFFAOYSA-N 1 1 266.297 1.980 20 5 CDBDMO Cc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297098907 200084399 /nfs/dbraw/zinc/08/43/99/200084399.db2.gz LAFDONXMWQPCDF-JTQLQIEISA-N 1 1 265.317 1.224 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362328514 359762568 /nfs/dbraw/zinc/76/25/68/359762568.db2.gz SPIXGODMMJKCGM-WCBMZHEXSA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362328514 359762571 /nfs/dbraw/zinc/76/25/71/359762571.db2.gz SPIXGODMMJKCGM-WCBMZHEXSA-N 1 1 284.287 1.698 20 5 CDBDMO Cc1nc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553307 200225562 /nfs/dbraw/zinc/22/55/62/200225562.db2.gz QYPNUBDNSVYRQF-WPRPVWTQSA-N 1 1 277.328 1.730 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351928430 359911432 /nfs/dbraw/zinc/91/14/32/359911432.db2.gz SWHIUEZBCOPSIN-CABZTGNLSA-N 1 1 266.297 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351928430 359911438 /nfs/dbraw/zinc/91/14/38/359911438.db2.gz SWHIUEZBCOPSIN-CABZTGNLSA-N 1 1 266.297 1.416 20 5 CDBDMO C[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599872 360080973 /nfs/dbraw/zinc/08/09/73/360080973.db2.gz KVYPNDVUUQSMHR-UHFFFAOYSA-N 1 1 291.307 1.176 20 5 CDBDMO C[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599872 360080981 /nfs/dbraw/zinc/08/09/81/360080981.db2.gz KVYPNDVUUQSMHR-UHFFFAOYSA-N 1 1 291.307 1.176 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)C[C@@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000514839881 360235965 /nfs/dbraw/zinc/23/59/65/360235965.db2.gz CBLDUCDCPCNDNG-GFCCVEGCSA-N 1 1 279.344 1.470 20 5 CDBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CCC[N@@H+](C)C1 ZINC000053251036 361403335 /nfs/dbraw/zinc/40/33/35/361403335.db2.gz LCIWGWLPWIHYPC-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000545398179 364073618 /nfs/dbraw/zinc/07/36/18/364073618.db2.gz BDABOTMIAVZJEQ-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268134161 364332614 /nfs/dbraw/zinc/33/26/14/364332614.db2.gz GHEOIUUHVIGCSE-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000174820715 364573533 /nfs/dbraw/zinc/57/35/33/364573533.db2.gz GMUDKODPRORAOY-NSHDSACASA-N 1 1 280.328 1.292 20 5 CDBDMO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270815635 366936407 /nfs/dbraw/zinc/93/64/07/366936407.db2.gz XKSFZIYTYSWMSR-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000270815635 366936413 /nfs/dbraw/zinc/93/64/13/366936413.db2.gz XKSFZIYTYSWMSR-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639786 367598519 /nfs/dbraw/zinc/59/85/19/367598519.db2.gz FBEOUYALSPAROV-CABCVRRESA-N 1 1 294.351 1.910 20 5 CDBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639786 367598523 /nfs/dbraw/zinc/59/85/23/367598523.db2.gz FBEOUYALSPAROV-CABCVRRESA-N 1 1 294.351 1.910 20 5 CDBDMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122674687 367675596 /nfs/dbraw/zinc/67/55/96/367675596.db2.gz CJGUZAXXXZCYSW-LLVKDONJSA-N 1 1 289.295 1.504 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122674687 367675603 /nfs/dbraw/zinc/67/56/03/367675603.db2.gz CJGUZAXXXZCYSW-LLVKDONJSA-N 1 1 289.295 1.504 20 5 CDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000301143554 368076965 /nfs/dbraw/zinc/07/69/65/368076965.db2.gz DOHXNRARKFYRDJ-UHFFFAOYSA-N 1 1 268.321 1.109 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000170781271 369050352 /nfs/dbraw/zinc/05/03/52/369050352.db2.gz ZYKMQRLKXMZUKW-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330660800 203091084 /nfs/dbraw/zinc/09/10/84/203091084.db2.gz BQDNZPMTQTUKGS-SNVBAGLBSA-N 1 1 292.339 1.614 20 5 CDBDMO C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420593439 244270674 /nfs/dbraw/zinc/27/06/74/244270674.db2.gz BWEMLTARKDDWEV-VHSXEESVSA-N 1 1 292.339 1.588 20 5 CDBDMO CN1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000344618576 369370784 /nfs/dbraw/zinc/37/07/84/369370784.db2.gz VPILXJOAHUYTRG-VIFPVBQESA-N 1 1 269.326 1.367 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000295238002 369733124 /nfs/dbraw/zinc/73/31/24/369733124.db2.gz OSPILIYVHDYYLY-NSHDSACASA-N 1 1 287.316 1.430 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301245732 369918687 /nfs/dbraw/zinc/91/86/87/369918687.db2.gz LDFFPTFFSNIEJX-VIFPVBQESA-N 1 1 280.332 1.253 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000275048511 370201702 /nfs/dbraw/zinc/20/17/02/370201702.db2.gz UTLNYEQJJXPROS-LLVKDONJSA-N 1 1 292.339 1.976 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295601924 370515444 /nfs/dbraw/zinc/51/54/44/370515444.db2.gz CKDFKSOQBKGSKY-VXGBXAGGSA-N 1 1 298.339 1.037 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000273705445 373984458 /nfs/dbraw/zinc/98/44/58/373984458.db2.gz DJYNFBGSJYVRLW-ZYHUDNBSSA-N 1 1 277.328 1.305 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562318 374039437 /nfs/dbraw/zinc/03/94/37/374039437.db2.gz KWMIDWPEXQUDCP-VIFPVBQESA-N 1 1 279.344 1.539 20 5 CDBDMO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000274026858 374071545 /nfs/dbraw/zinc/07/15/45/374071545.db2.gz NIUSYQAGUSJMMU-SNVBAGLBSA-N 1 1 291.311 1.453 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000298965833 374280351 /nfs/dbraw/zinc/28/03/51/374280351.db2.gz FPNNRGCHAHIHSZ-KGLIPLIRSA-N 1 1 289.335 1.951 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000370002580 374374093 /nfs/dbraw/zinc/37/40/93/374374093.db2.gz QOCFFFBUSUWEEG-NSHDSACASA-N 1 1 276.296 1.874 20 5 CDBDMO Cc1c(C[N@H+]2CCNC(=O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000369437301 374352893 /nfs/dbraw/zinc/35/28/93/374352893.db2.gz KINLBGIGOWIRFE-SNVBAGLBSA-N 1 1 277.324 1.614 20 5 CDBDMO Cc1c(C[N@@H+]2CCNC(=O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000369437301 374352899 /nfs/dbraw/zinc/35/28/99/374352899.db2.gz KINLBGIGOWIRFE-SNVBAGLBSA-N 1 1 277.324 1.614 20 5 CDBDMO Cc1ccnc(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000274458724 374673435 /nfs/dbraw/zinc/67/34/35/374673435.db2.gz JZBHQCSTRDAIQU-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330442898 374853693 /nfs/dbraw/zinc/85/36/93/374853693.db2.gz AZXSYCQRUMSORS-LBPRGKRZSA-N 1 1 252.270 1.257 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330442898 374853701 /nfs/dbraw/zinc/85/37/01/374853701.db2.gz AZXSYCQRUMSORS-LBPRGKRZSA-N 1 1 252.270 1.257 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1C ZINC000299476682 375174105 /nfs/dbraw/zinc/17/41/05/375174105.db2.gz BRTXLJNNNGRENX-CYBMUJFWSA-N 1 1 277.324 1.647 20 5 CDBDMO C[N@H+]1CC[C@@H](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000352910484 375551643 /nfs/dbraw/zinc/55/16/43/375551643.db2.gz DFDKSNGZTKQOND-SSDOTTSWSA-N 1 1 289.133 1.506 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347332095 375558542 /nfs/dbraw/zinc/55/85/42/375558542.db2.gz KTNLCKHGNVXDKN-NXEZZACHSA-N 1 1 284.287 1.052 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC000354423222 375708643 /nfs/dbraw/zinc/70/86/43/375708643.db2.gz IGLLLUCMSPBQHK-MNOVXSKESA-N 1 1 294.355 1.868 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873793 375866710 /nfs/dbraw/zinc/86/67/10/375866710.db2.gz KMQGQKAYHXVWSQ-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873793 375866714 /nfs/dbraw/zinc/86/67/14/375866714.db2.gz KMQGQKAYHXVWSQ-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325092 375960415 /nfs/dbraw/zinc/96/04/15/375960415.db2.gz AJKBMLNYCGFPIE-GFCCVEGCSA-N 1 1 251.286 1.073 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000171696206 376942843 /nfs/dbraw/zinc/94/28/43/376942843.db2.gz PHUMBCPSRGLCPN-SECBINFHSA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000171696206 376942850 /nfs/dbraw/zinc/94/28/50/376942850.db2.gz PHUMBCPSRGLCPN-SECBINFHSA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345290857 377817070 /nfs/dbraw/zinc/81/70/70/377817070.db2.gz MHNSNNPACRSGAL-KOLCDFICSA-N 1 1 292.339 1.390 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266888794 378310743 /nfs/dbraw/zinc/31/07/43/378310743.db2.gz DAXIQMQEYVNRPX-GFCCVEGCSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC000266915718 378672932 /nfs/dbraw/zinc/67/29/32/378672932.db2.gz KLFFTJLRJWFWEN-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC000266915718 378672939 /nfs/dbraw/zinc/67/29/39/378672939.db2.gz KLFFTJLRJWFWEN-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)c1 ZINC000446895290 250322425 /nfs/dbraw/zinc/32/24/25/250322425.db2.gz WRFJROYWTROAAV-UHFFFAOYSA-N 1 1 292.383 1.953 20 5 CDBDMO COc1cc(C[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC ZINC000289390765 197324977 /nfs/dbraw/zinc/32/49/77/197324977.db2.gz DXMHGPSYKDBOSV-SECBINFHSA-N 1 1 284.312 1.425 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC ZINC000289390765 197324979 /nfs/dbraw/zinc/32/49/79/197324979.db2.gz DXMHGPSYKDBOSV-SECBINFHSA-N 1 1 284.312 1.425 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1C[NH2+]CCO1 ZINC000415091913 391014349 /nfs/dbraw/zinc/01/43/49/391014349.db2.gz DLYHQJSEOQURBX-DXTPNHAXSA-N 1 1 277.324 1.186 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354005507 390994500 /nfs/dbraw/zinc/99/45/00/390994500.db2.gz HAFALSKSKKVUMG-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413213843 391178732 /nfs/dbraw/zinc/17/87/32/391178732.db2.gz TXTOFYIXALOZPP-VIFPVBQESA-N 1 1 291.286 1.856 20 5 CDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237532038 131039701 /nfs/dbraw/zinc/03/97/01/131039701.db2.gz NKTPOLYIUUXNRP-CMPLNLGQSA-N 1 1 293.323 1.069 20 5 CDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000263781255 131329086 /nfs/dbraw/zinc/32/90/86/131329086.db2.gz YXJAQXCIJXPTQJ-NSHDSACASA-N 1 1 277.324 1.899 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270741565 392495834 /nfs/dbraw/zinc/49/58/34/392495834.db2.gz NFUAWFXUXLGDCM-ZJUUUORDSA-N 1 1 278.312 1.398 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270741565 392495841 /nfs/dbraw/zinc/49/58/41/392495841.db2.gz NFUAWFXUXLGDCM-ZJUUUORDSA-N 1 1 278.312 1.398 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000521773795 392868959 /nfs/dbraw/zinc/86/89/59/392868959.db2.gz HQYWFKMOWQYUCT-SNVBAGLBSA-N 1 1 292.339 1.147 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000269317120 132154514 /nfs/dbraw/zinc/15/45/14/132154514.db2.gz MWBIZECOXCRZEI-UHFFFAOYSA-N 1 1 268.313 1.018 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000430210182 393092371 /nfs/dbraw/zinc/09/23/71/393092371.db2.gz CPXBIYRSINNROB-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000276234762 393116832 /nfs/dbraw/zinc/11/68/32/393116832.db2.gz TTYJSHPLLRBXFW-UWVGGRQHSA-N 1 1 286.303 1.298 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000276234762 393116837 /nfs/dbraw/zinc/11/68/37/393116837.db2.gz TTYJSHPLLRBXFW-UWVGGRQHSA-N 1 1 286.303 1.298 20 5 CDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332613670 393153651 /nfs/dbraw/zinc/15/36/51/393153651.db2.gz DRSRRWOCJCBWNC-NXEZZACHSA-N 1 1 268.317 1.064 20 5 CDBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090517027 393252937 /nfs/dbraw/zinc/25/29/37/393252937.db2.gz VUISVCHURVCABZ-UHFFFAOYSA-N 1 1 279.340 1.877 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604888 152240624 /nfs/dbraw/zinc/24/06/24/152240624.db2.gz NYINBAOQLJUXJO-MWLCHTKSSA-N 1 1 281.360 1.785 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412104861 292296536 /nfs/dbraw/zinc/29/65/36/292296536.db2.gz OHKUOVSQQIKPEC-ZOWXZIJZSA-N 1 1 294.351 1.639 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995272 156210829 /nfs/dbraw/zinc/21/08/29/156210829.db2.gz HCQOOEMTUMBDFD-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372481164 160124657 /nfs/dbraw/zinc/12/46/57/160124657.db2.gz KAGZPNOVSZLCIN-ZDUSSCGKSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372481164 160124658 /nfs/dbraw/zinc/12/46/58/160124658.db2.gz KAGZPNOVSZLCIN-ZDUSSCGKSA-N 1 1 273.296 1.633 20 5 CDBDMO COc1cc(C[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])cc1F ZINC000285350544 196258014 /nfs/dbraw/zinc/25/80/14/196258014.db2.gz AXKPNHAMVGFQQH-UHFFFAOYSA-N 1 1 284.287 1.699 20 5 CDBDMO COc1cc(C[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])cc1F ZINC000285350544 196258016 /nfs/dbraw/zinc/25/80/16/196258016.db2.gz AXKPNHAMVGFQQH-UHFFFAOYSA-N 1 1 284.287 1.699 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1OCCO1 ZINC000285427496 196281427 /nfs/dbraw/zinc/28/14/27/196281427.db2.gz WJBJRWQFQXVXAV-UHFFFAOYSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1OCCO1 ZINC000285427496 196281429 /nfs/dbraw/zinc/28/14/29/196281429.db2.gz WJBJRWQFQXVXAV-UHFFFAOYSA-N 1 1 266.297 1.442 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685248 175230745 /nfs/dbraw/zinc/23/07/45/175230745.db2.gz FVAWSVFBTVLLOU-GFCCVEGCSA-N 1 1 261.325 1.921 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685248 175230747 /nfs/dbraw/zinc/23/07/47/175230747.db2.gz FVAWSVFBTVLLOU-GFCCVEGCSA-N 1 1 261.325 1.921 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082221 270339790 /nfs/dbraw/zinc/33/97/90/270339790.db2.gz AWJQXDUIOCEKIA-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082221 270339792 /nfs/dbraw/zinc/33/97/92/270339792.db2.gz AWJQXDUIOCEKIA-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139023 274344504 /nfs/dbraw/zinc/34/45/04/274344504.db2.gz KAXCTVQOXIAYDG-MWLCHTKSSA-N 1 1 262.313 1.884 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014529 274344514 /nfs/dbraw/zinc/34/45/14/274344514.db2.gz VJBTVFZJERLWKW-LDYMZIIASA-N 1 1 263.301 1.279 20 5 CDBDMO CC(C)[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000340882332 276000117 /nfs/dbraw/zinc/00/01/17/276000117.db2.gz VFPCISIUMCXKRL-ZDUSSCGKSA-N 1 1 264.329 1.766 20 5 CDBDMO COc1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)nn1C ZINC000134148770 277787772 /nfs/dbraw/zinc/78/77/72/277787772.db2.gz BTSWVKZBPMUTEN-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO COc1cccc(N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275474061 278015910 /nfs/dbraw/zinc/01/59/10/278015910.db2.gz BQDYHYZHFPPLLV-LLVKDONJSA-N 1 1 295.339 1.106 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702440 288081597 /nfs/dbraw/zinc/08/15/97/288081597.db2.gz XDLXDPKQLCCHSH-YPMHNXCESA-N 1 1 291.351 1.751 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)n1 ZINC000574914383 295076352 /nfs/dbraw/zinc/07/63/52/295076352.db2.gz MKNJMAHHTPXZHW-QWHCGFSZSA-N 1 1 294.355 1.682 20 5 CDBDMO COC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000184531772 323365100 /nfs/dbraw/zinc/36/51/00/323365100.db2.gz RBFNLBCHAOWRPX-JTQLQIEISA-N 1 1 280.284 1.362 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(C)n1 ZINC000578843845 324035487 /nfs/dbraw/zinc/03/54/87/324035487.db2.gz UMXOXMMXABTFBD-NEPJUHHUSA-N 1 1 291.355 1.756 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899516 523985467 /nfs/dbraw/zinc/98/54/67/523985467.db2.gz ITSFESJSGBLFNL-UHFFFAOYSA-N 1 1 295.339 1.384 20 5 CDBDMO CN(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443364 523993444 /nfs/dbraw/zinc/99/34/44/523993444.db2.gz JXONCUAHDGJPAC-UHFFFAOYSA-N 1 1 271.704 1.426 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069137621 527400371 /nfs/dbraw/zinc/40/03/71/527400371.db2.gz CLDGKVGOKGENLD-LLVKDONJSA-N 1 1 284.337 1.262 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000263976421 535177054 /nfs/dbraw/zinc/17/70/54/535177054.db2.gz YHZGZTSJULEWLI-SNVBAGLBSA-N 1 1 294.359 1.499 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761078528 576544282 /nfs/dbraw/zinc/54/42/82/576544282.db2.gz XCMCSMQTSXFAFX-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427287 576602472 /nfs/dbraw/zinc/60/24/72/576602472.db2.gz HDUUDQZBOSKIFF-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO C[C@H]1COC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932487387 617314365 /nfs/dbraw/zinc/31/43/65/617314365.db2.gz AFMKQSPUQXLOOO-MADCSZMMSA-N 1 1 272.251 1.998 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]1CO ZINC000934028588 617870432 /nfs/dbraw/zinc/87/04/32/617870432.db2.gz YSFNYWJPZIIYGB-JTQLQIEISA-N 1 1 252.270 1.040 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]1CO ZINC000934028588 617870434 /nfs/dbraw/zinc/87/04/34/617870434.db2.gz YSFNYWJPZIIYGB-JTQLQIEISA-N 1 1 252.270 1.040 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683771 621072668 /nfs/dbraw/zinc/07/26/68/621072668.db2.gz GRPSTMPTONDAAS-SKDRFNHKSA-N 1 1 296.323 1.425 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683771 621072671 /nfs/dbraw/zinc/07/26/71/621072671.db2.gz GRPSTMPTONDAAS-SKDRFNHKSA-N 1 1 296.323 1.425 20 5 CDBDMO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903352040 625976477 /nfs/dbraw/zinc/97/64/77/625976477.db2.gz QGCAQWFVDSQREN-SECBINFHSA-N 1 1 275.312 1.761 20 5 CDBDMO Cc1ccc([C@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000905089163 626605061 /nfs/dbraw/zinc/60/50/61/626605061.db2.gz MCJBCZFYFVOHFX-LBPRGKRZSA-N 1 1 267.329 1.591 20 5 CDBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC000929823644 631453286 /nfs/dbraw/zinc/45/32/86/631453286.db2.gz SUXQLBQQEIIVQS-CYBMUJFWSA-N 1 1 263.341 1.994 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921681491 633161980 /nfs/dbraw/zinc/16/19/80/633161980.db2.gz XDMMSXKCNDKYSL-ZDUSSCGKSA-N 1 1 292.339 1.141 20 5 CDBDMO CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C1C[NH+](C)C1 ZINC001157453632 1162093889 /nfs/dbraw/zinc/09/38/89/1162093889.db2.gz JJUVXPXOIUGFPP-UHFFFAOYSA-N 1 1 270.720 1.784 20 5 CDBDMO CCOc1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164640287 719222930 /nfs/dbraw/zinc/22/29/30/719222930.db2.gz SDXLICSRGKCTRO-GHMZBOCLSA-N 1 1 294.355 1.917 20 5 CDBDMO Cc1cc(NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884824023 837483895 /nfs/dbraw/zinc/48/38/95/837483895.db2.gz NYZFYIDUMFSZRN-UHFFFAOYSA-N 1 1 253.302 1.239 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733890 835872192 /nfs/dbraw/zinc/87/21/92/835872192.db2.gz FMTNXSJFRUSDPR-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000930299094 835978904 /nfs/dbraw/zinc/97/89/04/835978904.db2.gz BCCHSKAEWUPDGL-UPJWGTAASA-N 1 1 256.346 1.669 20 5 CDBDMO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254794 1167420285 /nfs/dbraw/zinc/42/02/85/1167420285.db2.gz GBIWYIHMJSIIQC-NXEZZACHSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254794 1167420295 /nfs/dbraw/zinc/42/02/95/1167420295.db2.gz GBIWYIHMJSIIQC-NXEZZACHSA-N 1 1 270.358 1.965 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219563392 836160094 /nfs/dbraw/zinc/16/00/94/836160094.db2.gz HEFCRHHCAOHTAP-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219563392 836160099 /nfs/dbraw/zinc/16/00/99/836160099.db2.gz HEFCRHHCAOHTAP-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO CN(CC(F)F)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867951831 836191705 /nfs/dbraw/zinc/19/17/05/836191705.db2.gz RFTDQCPBNJTMLJ-GFCCVEGCSA-N 1 1 287.266 1.492 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC12CCOCC2 ZINC000886173707 836214165 /nfs/dbraw/zinc/21/41/65/836214165.db2.gz XHHBXCOQEVFUKO-UHFFFAOYSA-N 1 1 263.297 1.745 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC12CCOCC2 ZINC000886173707 836214182 /nfs/dbraw/zinc/21/41/82/836214182.db2.gz XHHBXCOQEVFUKO-UHFFFAOYSA-N 1 1 263.297 1.745 20 5 CDBDMO CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437111 836698617 /nfs/dbraw/zinc/69/86/17/836698617.db2.gz DSPCGSSWVBZCRY-GHMZBOCLSA-N 1 1 269.345 1.032 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838389 836720128 /nfs/dbraw/zinc/72/01/28/836720128.db2.gz WVCNOYJTDBXQOT-MRVPVSSYSA-N 1 1 269.261 1.184 20 5 CDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886221091 836768375 /nfs/dbraw/zinc/76/83/75/836768375.db2.gz SPMVIFHKTJJXOE-OAHLLOKOSA-N 1 1 290.367 1.908 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000931707269 836846950 /nfs/dbraw/zinc/84/69/50/836846950.db2.gz AZQZTGCFSSRCND-WDEREUQCSA-N 1 1 292.257 1.387 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000882492445 837064424 /nfs/dbraw/zinc/06/44/24/837064424.db2.gz SIOSKJGCCRFIRN-JTQLQIEISA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000819259117 837203501 /nfs/dbraw/zinc/20/35/01/837203501.db2.gz TWSSZNKKULMSRB-JOYOIKCWSA-N 1 1 291.311 1.108 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712549183 837339966 /nfs/dbraw/zinc/33/99/66/837339966.db2.gz QDKFAKIIHFKCKX-SSDOTTSWSA-N 1 1 279.325 1.716 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928564010 837345930 /nfs/dbraw/zinc/34/59/30/837345930.db2.gz SSNGFOIVZBTNJC-NSHDSACASA-N 1 1 297.742 1.611 20 5 CDBDMO O=C(NC1C[NH+](CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294044 837353594 /nfs/dbraw/zinc/35/35/94/837353594.db2.gz VIPDQBVHBMSKQK-CHWSQXEVSA-N 1 1 281.356 1.032 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000712312821 837840470 /nfs/dbraw/zinc/84/04/70/837840470.db2.gz ZQWONZXUTRCBDQ-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000712312821 837840472 /nfs/dbraw/zinc/84/04/72/837840472.db2.gz ZQWONZXUTRCBDQ-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000808230049 837858282 /nfs/dbraw/zinc/85/82/82/837858282.db2.gz GARUHUDHANOVPR-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000808230049 837858286 /nfs/dbraw/zinc/85/82/86/837858286.db2.gz GARUHUDHANOVPR-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)c1ccccc1 ZINC000791053741 838809831 /nfs/dbraw/zinc/80/98/31/838809831.db2.gz OOTGPNNTNKOQQO-UHFFFAOYSA-N 1 1 277.324 1.158 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000840143622 838935099 /nfs/dbraw/zinc/93/50/99/838935099.db2.gz KQHQZWOFJFMQRE-LBPRGKRZSA-N 1 1 282.369 1.968 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000840143622 838935115 /nfs/dbraw/zinc/93/51/15/838935115.db2.gz KQHQZWOFJFMQRE-LBPRGKRZSA-N 1 1 282.369 1.968 20 5 CDBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000847257749 838985082 /nfs/dbraw/zinc/98/50/82/838985082.db2.gz ZBICPNLGXSOHMV-CHWSQXEVSA-N 1 1 297.399 1.955 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000776270203 839119994 /nfs/dbraw/zinc/11/99/94/839119994.db2.gz APKJHXDAGFOXLL-OLZOCXBDSA-N 1 1 266.297 1.085 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886186024 840076140 /nfs/dbraw/zinc/07/61/40/840076140.db2.gz ODSWGIIRRKVZTE-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886186024 840076143 /nfs/dbraw/zinc/07/61/43/840076143.db2.gz ODSWGIIRRKVZTE-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000830221331 840105701 /nfs/dbraw/zinc/10/57/01/840105701.db2.gz PESJZKBUSKLTSK-AWEZNQCLSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000830221331 840105706 /nfs/dbraw/zinc/10/57/06/840105706.db2.gz PESJZKBUSKLTSK-AWEZNQCLSA-N 1 1 280.324 1.737 20 5 CDBDMO CC[N@@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)C(C)C ZINC000853253297 840743483 /nfs/dbraw/zinc/74/34/83/840743483.db2.gz FGJWEANDSCPFPC-UHFFFAOYSA-N 1 1 267.333 1.714 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000886039844 840805269 /nfs/dbraw/zinc/80/52/69/840805269.db2.gz QKYRXCHUVXTPCX-STQMWFEESA-N 1 1 277.324 1.991 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)CO)C2)cc1 ZINC000930637435 841163633 /nfs/dbraw/zinc/16/36/33/841163633.db2.gz LEWCMWXYIZSARJ-JSGCOSHPSA-N 1 1 280.324 1.127 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1(C)COC1 ZINC000859570988 841323843 /nfs/dbraw/zinc/32/38/43/841323843.db2.gz FXQGJBWXGQXNNR-UHFFFAOYSA-N 1 1 295.295 1.971 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1(C)COC1 ZINC000859570988 841323859 /nfs/dbraw/zinc/32/38/59/841323859.db2.gz FXQGJBWXGQXNNR-UHFFFAOYSA-N 1 1 295.295 1.971 20 5 CDBDMO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928555945 841328720 /nfs/dbraw/zinc/32/87/20/841328720.db2.gz LPAZFLJBNVWPSY-LLVKDONJSA-N 1 1 293.323 1.102 20 5 CDBDMO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000830221332 841419714 /nfs/dbraw/zinc/41/97/14/841419714.db2.gz PESJZKBUSKLTSK-CQSZACIVSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000830221332 841419730 /nfs/dbraw/zinc/41/97/30/841419730.db2.gz PESJZKBUSKLTSK-CQSZACIVSA-N 1 1 280.324 1.737 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000882488403 841623467 /nfs/dbraw/zinc/62/34/67/841623467.db2.gz DAPNDDDMLPWILG-CYBMUJFWSA-N 1 1 291.351 1.656 20 5 CDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2 ZINC000854734804 841831401 /nfs/dbraw/zinc/83/14/01/841831401.db2.gz DJYOLBBBPGEMQF-OAHLLOKOSA-N 1 1 297.399 1.766 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886097977 841865105 /nfs/dbraw/zinc/86/51/05/841865105.db2.gz HNDWTHCZYZMFNS-VXGBXAGGSA-N 1 1 278.356 1.904 20 5 CDBDMO CC1CC[NH+](CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000819916677 841908435 /nfs/dbraw/zinc/90/84/35/841908435.db2.gz PUEXTCVPTPFLJS-UHFFFAOYSA-N 1 1 292.339 1.847 20 5 CDBDMO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839596183 842072924 /nfs/dbraw/zinc/07/29/24/842072924.db2.gz SXJBCQLCYOPOHF-IJLUTSLNSA-N 1 1 295.339 1.444 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886014926 842149826 /nfs/dbraw/zinc/14/98/26/842149826.db2.gz SFZHCAXFILBZOZ-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886014926 842149861 /nfs/dbraw/zinc/14/98/61/842149861.db2.gz SFZHCAXFILBZOZ-UHFFFAOYSA-N 1 1 265.313 1.991 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928567660 842289293 /nfs/dbraw/zinc/28/92/93/842289293.db2.gz YBGPBYJDDVOHDY-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928567660 842289322 /nfs/dbraw/zinc/28/93/22/842289322.db2.gz YBGPBYJDDVOHDY-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585689 842559136 /nfs/dbraw/zinc/55/91/36/842559136.db2.gz ZHVINZUFIYRWFU-JSGCOSHPSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@H]1COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585689 842559150 /nfs/dbraw/zinc/55/91/50/842559150.db2.gz ZHVINZUFIYRWFU-JSGCOSHPSA-N 1 1 280.324 1.739 20 5 CDBDMO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000839781869 842846879 /nfs/dbraw/zinc/84/68/79/842846879.db2.gz BNKBRSOEYXFRFG-HZSPNIEDSA-N 1 1 289.335 1.839 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C ZINC000712541475 842903789 /nfs/dbraw/zinc/90/37/89/842903789.db2.gz GDMMURHUMABVTA-SECBINFHSA-N 1 1 253.306 1.236 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776583573 842913437 /nfs/dbraw/zinc/91/34/37/842913437.db2.gz FWBCXESWGYUCSC-GFCCVEGCSA-N 1 1 268.313 1.331 20 5 CDBDMO CN(C)c1ccc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167278160 895026287 /nfs/dbraw/zinc/02/62/87/895026287.db2.gz AAOWYEWTZOVSCW-JTQLQIEISA-N 1 1 264.329 1.777 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977171 927562405 /nfs/dbraw/zinc/56/24/05/927562405.db2.gz IQYNTOBZRSMBPV-FRRDWIJNSA-N 1 1 255.362 1.506 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168973884 927597272 /nfs/dbraw/zinc/59/72/72/927597272.db2.gz PIDWXEYVVKDVLJ-UTUOFQBUSA-N 1 1 272.345 1.609 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001169007709 927610724 /nfs/dbraw/zinc/61/07/24/927610724.db2.gz PTSKTVDJNQGVBS-OCCSQVGLSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011925 927617045 /nfs/dbraw/zinc/61/70/45/927617045.db2.gz NREBKQGYNFANLJ-DBIOUOCHSA-N 1 1 296.289 1.534 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@](O)(CF)C2)C1 ZINC001169013768 927619237 /nfs/dbraw/zinc/61/92/37/927619237.db2.gz WHXHBPDTYRUUSO-FRRDWIJNSA-N 1 1 274.336 1.618 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC001169013067 927619318 /nfs/dbraw/zinc/61/93/18/927619318.db2.gz TWYYJIAROFHHRT-OPRDCNLKSA-N 1 1 282.262 1.431 20 5 CDBDMO CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029097 927636034 /nfs/dbraw/zinc/63/60/34/927636034.db2.gz UGTUMJIHCIWKSY-TZMCWYRMSA-N 1 1 269.389 1.848 20 5 CDBDMO C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017568 927657494 /nfs/dbraw/zinc/65/74/94/927657494.db2.gz APZQGAYIWKUPQW-ZUWCUPBKSA-N 1 1 268.357 1.931 20 5 CDBDMO CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026949 927666515 /nfs/dbraw/zinc/66/65/15/927666515.db2.gz ONXLDMPITKSUJJ-WCQYABFASA-N 1 1 256.346 1.933 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156646488 928872920 /nfs/dbraw/zinc/87/29/20/928872920.db2.gz FZIGOKSYRPXIJG-NSHDSACASA-N 1 1 259.269 1.294 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC001170898149 930693923 /nfs/dbraw/zinc/69/39/23/930693923.db2.gz BUMFMTADFZIQII-ZDUSSCGKSA-N 1 1 275.312 1.579 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170900192 930700704 /nfs/dbraw/zinc/70/07/04/930700704.db2.gz JLQTWGSHVNHFGZ-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO C[C@@H](CCO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156451591 938369142 /nfs/dbraw/zinc/36/91/42/938369142.db2.gz KREDZUKGUYUEQZ-RWCYGVJQSA-N 1 1 280.328 1.705 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001157261597 938470931 /nfs/dbraw/zinc/47/09/31/938470931.db2.gz SCABSFFFQNKKRW-WDEREUQCSA-N 1 1 262.313 1.520 20 5 CDBDMO CCN(c1ncnc2cccc([N+](=O)[O-])c21)C1C[NH+](C)C1 ZINC001157461333 938496083 /nfs/dbraw/zinc/49/60/83/938496083.db2.gz GZXMNVWDGZZFGD-UHFFFAOYSA-N 1 1 287.323 1.678 20 5 CDBDMO O=[N+]([O-])c1cccc(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157650027 938526343 /nfs/dbraw/zinc/52/63/43/938526343.db2.gz JARKFIWETGDSPW-UHFFFAOYSA-N 1 1 278.312 1.267 20 5 CDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])ccn1 ZINC001159453107 938729537 /nfs/dbraw/zinc/72/95/37/938729537.db2.gz OUJWIAIMRQUHMP-UHFFFAOYSA-N 1 1 292.295 1.212 20 5 CDBDMO O=[N+]([O-])c1ccnc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC001160719058 938818114 /nfs/dbraw/zinc/81/81/14/938818114.db2.gz BTZXMEYAKRPBDL-OLZOCXBDSA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160966460 938852180 /nfs/dbraw/zinc/85/21/80/938852180.db2.gz JDUJIISAIGSHFW-SNVBAGLBSA-N 1 1 266.301 1.124 20 5 CDBDMO CC(C)(C)[NH+]1CC(Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162220374 938963598 /nfs/dbraw/zinc/96/35/98/938963598.db2.gz QRLKOAJNILWICJ-UHFFFAOYSA-N 1 1 285.735 1.933 20 5 CDBDMO COc1ncc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001165261335 939535625 /nfs/dbraw/zinc/53/56/25/939535625.db2.gz ONBZSTFQEOMJKU-JTQLQIEISA-N 1 1 295.343 1.537 20 5 CDBDMO C[N@H+]1CC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925305 941642003 /nfs/dbraw/zinc/64/20/03/941642003.db2.gz LBXZMEXQSGPYMH-SNVBAGLBSA-N 1 1 277.280 1.957 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225598929 941886929 /nfs/dbraw/zinc/88/69/29/941886929.db2.gz ZAWQBCBVHASEQP-SECBINFHSA-N 1 1 281.268 1.894 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccccc21 ZINC001226977716 942106709 /nfs/dbraw/zinc/10/67/09/942106709.db2.gz SXYMVHVIZVTUSO-SNVBAGLBSA-O 1 1 262.333 1.809 20 5 CDBDMO Cc1nc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382317 942461873 /nfs/dbraw/zinc/46/18/73/942461873.db2.gz RMNHUUVFWQUHIJ-UHFFFAOYSA-N 1 1 296.327 1.650 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(OC2CC[NH+](C)CC2)n1 ZINC001231259055 942836231 /nfs/dbraw/zinc/83/62/31/942836231.db2.gz DTYZTGFVPFALIY-UHFFFAOYSA-N 1 1 267.285 1.477 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1CO ZINC001254552324 947520202 /nfs/dbraw/zinc/52/02/02/947520202.db2.gz KWNQTACBNSWNPH-YPMHNXCESA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)C1 ZINC001254550326 947521249 /nfs/dbraw/zinc/52/12/49/947521249.db2.gz HRFWQIPIVFJXPP-WCQYABFASA-N 1 1 264.325 1.983 20 5 CDBDMO CC[N@@H+](CCC(N)=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561302 947524968 /nfs/dbraw/zinc/52/49/68/947524968.db2.gz GFADASFTXZFHRQ-NSHDSACASA-N 1 1 279.340 1.723 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001254594469 947545439 /nfs/dbraw/zinc/54/54/39/947545439.db2.gz RFYPLHNGOUHZTC-KGLIPLIRSA-N 1 1 262.309 1.519 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](CO)C1)C2 ZINC001254599484 947550907 /nfs/dbraw/zinc/55/09/07/947550907.db2.gz MDFOAGWGJQMGRG-YGRLFVJLSA-N 1 1 262.309 1.376 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001254605698 947553756 /nfs/dbraw/zinc/55/37/56/947553756.db2.gz CQOYWWPOSQCTPA-LSDHHAIUSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCN3CC[C@H]3C1)C2 ZINC001254605698 947553758 /nfs/dbraw/zinc/55/37/58/947553758.db2.gz CQOYWWPOSQCTPA-LSDHHAIUSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCN3CC[C@H]3C1)C2 ZINC001254605698 947553761 /nfs/dbraw/zinc/55/37/61/947553761.db2.gz CQOYWWPOSQCTPA-LSDHHAIUSA-N 1 1 273.336 1.452 20 5 CDBDMO C[C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)[NH+](C)C ZINC001248268952 948986892 /nfs/dbraw/zinc/98/68/92/948986892.db2.gz ZDLBBJCMEWKEHH-LURJTMIESA-N 1 1 281.247 1.802 20 5 CDBDMO O=C([C@H]1CSC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326307297 954312254 /nfs/dbraw/zinc/31/22/54/954312254.db2.gz XGKOJEVEOCVOCT-LLVKDONJSA-N 1 1 279.321 1.100 20 5 CDBDMO CC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC001307701975 956432675 /nfs/dbraw/zinc/43/26/75/956432675.db2.gz FZTXDPCUULUDKW-RYUDHWBXSA-N 1 1 279.340 1.877 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC001318704854 958236935 /nfs/dbraw/zinc/23/69/35/958236935.db2.gz JDIOWPURVDITGH-UHFFFAOYSA-N 1 1 261.281 1.196 20 5 CDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335481096 959832190 /nfs/dbraw/zinc/83/21/90/959832190.db2.gz JAGJNAZJASQGQB-KFWWJZLASA-N 1 1 293.367 1.701 20 5 CDBDMO Cn1cc[nH+]c1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001337654643 961340954 /nfs/dbraw/zinc/34/09/54/961340954.db2.gz GUMWMTCICIGKRR-UHFFFAOYSA-N 1 1 291.267 1.891 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001515457909 969895508 /nfs/dbraw/zinc/89/55/08/969895508.db2.gz GSTUBXOGZJDLPQ-VIFPVBQESA-N 1 1 265.317 1.326 20 5 CDBDMO CC(C)[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000601156443 342483897 /nfs/dbraw/zinc/48/38/97/342483897.db2.gz WXGVEYXRXIHNSH-LBPRGKRZSA-N 1 1 282.319 1.905 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@H]2C1 ZINC000590582742 342576815 /nfs/dbraw/zinc/57/68/15/342576815.db2.gz TYZWMFVMRCRQLG-ONGXEEELSA-N 1 1 277.328 1.102 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201684 342879922 /nfs/dbraw/zinc/87/99/22/342879922.db2.gz PGFQPJJAORTTFO-MNOVXSKESA-N 1 1 293.323 1.935 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000595450186 343058758 /nfs/dbraw/zinc/05/87/58/343058758.db2.gz SDPCRDGETGSEHH-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000595450186 343058760 /nfs/dbraw/zinc/05/87/60/343058760.db2.gz SDPCRDGETGSEHH-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428963 343057976 /nfs/dbraw/zinc/05/79/76/343057976.db2.gz HYFWQGPSSPUBHW-RKDXNWHRSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595428963 343057977 /nfs/dbraw/zinc/05/79/77/343057977.db2.gz HYFWQGPSSPUBHW-RKDXNWHRSA-N 1 1 255.274 1.094 20 5 CDBDMO COCCCC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595552534 343086513 /nfs/dbraw/zinc/08/65/13/343086513.db2.gz MQZXCHFSNFYZRR-UHFFFAOYSA-N 1 1 257.290 1.750 20 5 CDBDMO COCCCC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595552534 343086515 /nfs/dbraw/zinc/08/65/15/343086515.db2.gz MQZXCHFSNFYZRR-UHFFFAOYSA-N 1 1 257.290 1.750 20 5 CDBDMO CCN1CC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485957 343075087 /nfs/dbraw/zinc/07/50/87/343075087.db2.gz ZVYNIQJSQDUKKS-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1nn(C)c(NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000077995663 342332798 /nfs/dbraw/zinc/33/27/98/342332798.db2.gz JSIWKSOJULBJJO-JTQLQIEISA-N 1 1 297.359 1.017 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595767176 343146272 /nfs/dbraw/zinc/14/62/72/343146272.db2.gz WFWZGVWARYRYGD-CMPLNLGQSA-N 1 1 250.298 1.940 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)C(C)C ZINC000078686438 342339558 /nfs/dbraw/zinc/33/95/58/342339558.db2.gz VUJRUTFHRHXXBZ-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)C(C)C ZINC000078686438 342339559 /nfs/dbraw/zinc/33/95/59/342339559.db2.gz VUJRUTFHRHXXBZ-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO CCC[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000078686435 342339578 /nfs/dbraw/zinc/33/95/78/342339578.db2.gz OGVQNZVZJJJKMR-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO CCC[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000078686435 342339579 /nfs/dbraw/zinc/33/95/79/342339579.db2.gz OGVQNZVZJJJKMR-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503752 362121026 /nfs/dbraw/zinc/12/10/26/362121026.db2.gz LWPOMWHUMJUQHC-JTQLQIEISA-N 1 1 288.731 1.940 20 5 CDBDMO CC[N@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596173340 343259638 /nfs/dbraw/zinc/25/96/38/343259638.db2.gz TULUCKKHWRSESI-VIFPVBQESA-N 1 1 266.301 1.226 20 5 CDBDMO C[C@H]1C[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432263 343320073 /nfs/dbraw/zinc/32/00/73/343320073.db2.gz RRLWOKIKPGHCSS-UWVGGRQHSA-N 1 1 296.327 1.217 20 5 CDBDMO C[C@H]1C[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432263 343320076 /nfs/dbraw/zinc/32/00/76/343320076.db2.gz RRLWOKIKPGHCSS-UWVGGRQHSA-N 1 1 296.327 1.217 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596438945 343321603 /nfs/dbraw/zinc/32/16/03/343321603.db2.gz AQRHGASUWOKHJG-JTQLQIEISA-N 1 1 294.355 1.773 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596448117 343324009 /nfs/dbraw/zinc/32/40/09/343324009.db2.gz VFLODRFLOUWZHM-SNVBAGLBSA-N 1 1 294.355 1.536 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596306930 343293021 /nfs/dbraw/zinc/29/30/21/343293021.db2.gz JSSUDWFQLXMWSS-LLVKDONJSA-N 1 1 278.356 1.944 20 5 CDBDMO Nc1ncc2c(n1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598947320 343928071 /nfs/dbraw/zinc/92/80/71/343928071.db2.gz KZLRNEHIWZYWNK-UHFFFAOYSA-N 1 1 299.334 1.398 20 5 CDBDMO CCn1nncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598986104 343934810 /nfs/dbraw/zinc/93/48/10/343934810.db2.gz LSMHJVAVESZUEF-UHFFFAOYSA-N 1 1 261.285 1.496 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599140312 343959921 /nfs/dbraw/zinc/95/99/21/343959921.db2.gz UQELMWMWNDYKAJ-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000101546807 362321749 /nfs/dbraw/zinc/32/17/49/362321749.db2.gz WTJPKTCXYIEIFH-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000101546807 362321754 /nfs/dbraw/zinc/32/17/54/362321754.db2.gz WTJPKTCXYIEIFH-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO CCC[C@@]1(CO)CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602818734 344608595 /nfs/dbraw/zinc/60/85/95/344608595.db2.gz 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C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181887886 357388044 /nfs/dbraw/zinc/38/80/44/357388044.db2.gz KPFHOKPLAOQERZ-NSHDSACASA-N 1 1 298.339 1.037 20 5 CDBDMO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264594370 357399934 /nfs/dbraw/zinc/39/99/34/357399934.db2.gz WTCIUTJHOJOQFT-VIFPVBQESA-N 1 1 299.352 1.107 20 5 CDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264594370 357399937 /nfs/dbraw/zinc/39/99/37/357399937.db2.gz WTCIUTJHOJOQFT-VIFPVBQESA-N 1 1 299.352 1.107 20 5 CDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000264597822 357400188 /nfs/dbraw/zinc/40/01/88/357400188.db2.gz AKFBQGZAWCORQO-UHFFFAOYSA-N 1 1 293.371 1.064 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182040801 357402370 /nfs/dbraw/zinc/40/23/70/357402370.db2.gz NISZMXKBODKIBB-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182040801 357402371 /nfs/dbraw/zinc/40/23/71/357402371.db2.gz NISZMXKBODKIBB-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264665956 357917447 /nfs/dbraw/zinc/91/74/47/357917447.db2.gz KIPOPJRBCQXGJD-WXJAXGNASA-N 1 1 289.335 1.676 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952351 283339401 /nfs/dbraw/zinc/33/94/01/283339401.db2.gz JCYGJAOPHJUPQB-JKOKRWQUSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952351 283339402 /nfs/dbraw/zinc/33/94/02/283339402.db2.gz JCYGJAOPHJUPQB-JKOKRWQUSA-N 1 1 289.335 1.681 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000361550388 358280798 /nfs/dbraw/zinc/28/07/98/358280798.db2.gz FKVLCPXHFMCQQE-CYBMUJFWSA-N 1 1 297.742 1.946 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000264904830 358760906 /nfs/dbraw/zinc/76/09/06/358760906.db2.gz CTDORSCWHCJTPG-JTQLQIEISA-N 1 1 294.359 1.643 20 5 CDBDMO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342433745 359051861 /nfs/dbraw/zinc/05/18/61/359051861.db2.gz UTOHPGSWNQFPMS-MWLCHTKSSA-N 1 1 284.337 1.118 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000296667984 199965051 /nfs/dbraw/zinc/96/50/51/199965051.db2.gz ZAWOXUSHDWDIAZ-MNOVXSKESA-N 1 1 277.328 1.732 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000339804510 359449239 /nfs/dbraw/zinc/44/92/39/359449239.db2.gz QTZHBWPVTMICSO-SNVBAGLBSA-N 1 1 282.344 1.393 20 5 CDBDMO Cc1ccc(C[NH+]2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000297506669 200213996 /nfs/dbraw/zinc/21/39/96/200213996.db2.gz WSAIZEAMFHZJQR-UHFFFAOYSA-N 1 1 263.297 1.210 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000351794655 359833464 /nfs/dbraw/zinc/83/34/64/359833464.db2.gz FGKOJNBXVLNQLB-BXKDBHETSA-N 1 1 266.297 1.416 20 5 CDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]CC1(F)F ZINC000342750830 360059298 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C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199326 364443082 /nfs/dbraw/zinc/44/30/82/364443082.db2.gz OJIVUHPFYIYKLB-YGRLFVJLSA-N 1 1 289.335 1.807 20 5 CDBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000270874543 364801439 /nfs/dbraw/zinc/80/14/39/364801439.db2.gz JOQBTJRTHJIQCS-CQSZACIVSA-N 1 1 289.335 1.792 20 5 CDBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000270874543 364801444 /nfs/dbraw/zinc/80/14/44/364801444.db2.gz JOQBTJRTHJIQCS-CQSZACIVSA-N 1 1 289.335 1.792 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249601325 365036681 /nfs/dbraw/zinc/03/66/81/365036681.db2.gz YJBUAZBMIUZIKB-PSASIEDQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249601325 365036686 /nfs/dbraw/zinc/03/66/86/365036686.db2.gz YJBUAZBMIUZIKB-PSASIEDQSA-N 1 1 256.327 1.859 20 5 CDBDMO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275575918 193077437 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/nfs/dbraw/zinc/17/56/41/277175641.db2.gz MVDAFGKHMWGCSU-FZMZJTMJSA-N 1 1 289.335 1.761 20 5 CDBDMO CCNC(=O)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000339317209 521746476 /nfs/dbraw/zinc/74/64/76/521746476.db2.gz LGCXRHMNZUXQDJ-CYBMUJFWSA-N 1 1 297.330 1.984 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704430 523174389 /nfs/dbraw/zinc/17/43/89/523174389.db2.gz JSOTXEWDAFUKHA-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157704430 523174398 /nfs/dbraw/zinc/17/43/98/523174398.db2.gz JSOTXEWDAFUKHA-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157704430 523174408 /nfs/dbraw/zinc/17/44/08/523174408.db2.gz JSOTXEWDAFUKHA-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO COC1(C)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342155547 536563833 /nfs/dbraw/zinc/56/38/33/536563833.db2.gz AWBWKCFOXDMWOQ-UHFFFAOYSA-N 1 1 268.317 1.329 20 5 CDBDMO O=C(OCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000735894589 575531280 /nfs/dbraw/zinc/53/12/80/575531280.db2.gz UKJDZOHWRCELSN-UHFFFAOYSA-N 1 1 294.307 1.474 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000764985682 575971845 /nfs/dbraw/zinc/97/18/45/575971845.db2.gz UDTISIRVYYVAKP-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000764985682 575971847 /nfs/dbraw/zinc/97/18/47/575971847.db2.gz UDTISIRVYYVAKP-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@H]2CO)c1 ZINC000767119105 576161980 /nfs/dbraw/zinc/16/19/80/576161980.db2.gz HHXDYEOJKBERBX-OLZOCXBDSA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000767119105 576161981 /nfs/dbraw/zinc/16/19/81/576161981.db2.gz HHXDYEOJKBERBX-OLZOCXBDSA-N 1 1 298.364 1.038 20 5 CDBDMO C[N@@H+](CCCN1CCOC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000744193366 576669566 /nfs/dbraw/zinc/66/95/66/576669566.db2.gz NDBFYDSCUBYIDK-UHFFFAOYSA-N 1 1 293.323 1.869 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCc3cn[nH]c3C2)c1 ZINC000750720052 577001509 /nfs/dbraw/zinc/00/15/09/577001509.db2.gz LNKKXYYRXRSFIS-CQSZACIVSA-N 1 1 288.307 1.410 20 5 CDBDMO CC(C)(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137152 613910668 /nfs/dbraw/zinc/91/06/68/613910668.db2.gz OWJGCSIAANIUCY-CHWSQXEVSA-N 1 1 297.399 1.622 20 5 CDBDMO CC(C)(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137152 613910671 /nfs/dbraw/zinc/91/06/71/613910671.db2.gz OWJGCSIAANIUCY-CHWSQXEVSA-N 1 1 297.399 1.622 20 5 CDBDMO CC(C)(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137152 613910673 /nfs/dbraw/zinc/91/06/73/613910673.db2.gz OWJGCSIAANIUCY-CHWSQXEVSA-N 1 1 297.399 1.622 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941175 618204877 /nfs/dbraw/zinc/20/48/77/618204877.db2.gz RNICULWTRHKXQU-NOZJJQNGSA-N 1 1 265.288 1.874 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000894042921 618285405 /nfs/dbraw/zinc/28/54/05/618285405.db2.gz ORZPENDOQBRULY-UHFFFAOYSA-N 1 1 293.371 1.783 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000894435987 618885988 /nfs/dbraw/zinc/88/59/88/618885988.db2.gz GMMAUDNJCSXNDG-GHMZBOCLSA-N 1 1 279.344 1.757 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000894489270 618915394 /nfs/dbraw/zinc/91/53/94/618915394.db2.gz UWNYZRMONGZAQI-SECBINFHSA-N 1 1 267.333 1.613 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CCC(C)(C)C1 ZINC000897248758 620441788 /nfs/dbraw/zinc/44/17/88/620441788.db2.gz AUBPIJWIVHIMGB-UHFFFAOYSA-N 1 1 267.333 1.472 20 5 CDBDMO CC1(C)CC[N@@H+](CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000897249118 620442661 /nfs/dbraw/zinc/44/26/61/620442661.db2.gz MHTDVVFEPCUUKI-UHFFFAOYSA-N 1 1 279.344 1.716 20 5 CDBDMO CCN(CC)[C@@H](C[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899859979 622486417 /nfs/dbraw/zinc/48/64/17/622486417.db2.gz OHLBQEIEGAOIPP-AWEZNQCLSA-N 1 1 265.357 1.936 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000902544005 624907135 /nfs/dbraw/zinc/90/71/35/624907135.db2.gz VJHZHMWTRLXEHR-GFCCVEGCSA-N 1 1 281.360 1.411 20 5 CDBDMO C[C@H](CCNCC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905146512 626658390 /nfs/dbraw/zinc/65/83/90/626658390.db2.gz NRPYUZYCCAXTBD-CYBMUJFWSA-N 1 1 265.357 1.763 20 5 CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000913538636 630541090 /nfs/dbraw/zinc/54/10/90/630541090.db2.gz GYAQLIRGZRKQDM-BETUJISGSA-N 1 1 275.308 1.513 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000913538636 630541093 /nfs/dbraw/zinc/54/10/93/630541093.db2.gz GYAQLIRGZRKQDM-BETUJISGSA-N 1 1 275.308 1.513 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000917450674 632219930 /nfs/dbraw/zinc/21/99/30/632219930.db2.gz WOZHJWKITGKVBZ-JTQLQIEISA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000917450674 632219933 /nfs/dbraw/zinc/21/99/33/632219933.db2.gz WOZHJWKITGKVBZ-JTQLQIEISA-N 1 1 266.301 1.250 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]([NH3+])C(C)(C)C ZINC001574033797 1170867657 /nfs/dbraw/zinc/86/76/57/1170867657.db2.gz CQHRGARXHZIOFA-NSHDSACASA-N 1 1 282.296 1.882 20 5 CDBDMO CCOc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164640289 719222402 /nfs/dbraw/zinc/22/24/02/719222402.db2.gz SDXLICSRGKCTRO-MNOVXSKESA-N 1 1 294.355 1.917 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585693 844036461 /nfs/dbraw/zinc/03/64/61/844036461.db2.gz ZHVINZUFIYRWFU-TZMCWYRMSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585693 844036468 /nfs/dbraw/zinc/03/64/68/844036468.db2.gz ZHVINZUFIYRWFU-TZMCWYRMSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001307200716 1167457646 /nfs/dbraw/zinc/45/76/46/1167457646.db2.gz NTFLZSBFFCAVRQ-SNVBAGLBSA-N 1 1 296.327 1.218 20 5 CDBDMO C[C@H]1C[C@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886032564 844363052 /nfs/dbraw/zinc/36/30/52/844363052.db2.gz JCRQZXCNWZTOFX-WCQYABFASA-N 1 1 278.356 1.904 20 5 CDBDMO COc1ccc2c(c1)CC[N@H+](CC[N+](=O)[O-])CC2 ZINC000930113701 844421063 /nfs/dbraw/zinc/42/10/63/844421063.db2.gz IHEDQPDZRYSFAV-UHFFFAOYSA-N 1 1 250.298 1.373 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000882494638 843809550 /nfs/dbraw/zinc/80/95/50/843809550.db2.gz SYFDFDUTMMTCJG-JTQLQIEISA-N 1 1 257.334 1.032 20 5 CDBDMO COc1cc(C(=O)OCC[NH+]2CCC2)cc([N+](=O)[O-])c1C ZINC000861389748 843897177 /nfs/dbraw/zinc/89/71/77/843897177.db2.gz WTKDAGRLRGBTNA-UHFFFAOYSA-N 1 1 294.307 1.774 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823276665 843921179 /nfs/dbraw/zinc/92/11/79/843921179.db2.gz MXCODDUWBVDBCR-UHFFFAOYSA-N 1 1 273.377 1.670 20 5 CDBDMO C[NH2+][C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000848618650 845065666 /nfs/dbraw/zinc/06/56/66/845065666.db2.gz VGBIIKKYMQCCRP-QMMMGPOBSA-N 1 1 262.269 1.849 20 5 CDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000839699071 845137433 /nfs/dbraw/zinc/13/74/33/845137433.db2.gz IAUSUPQSIVZVDS-JHJVBQTASA-N 1 1 285.388 1.524 20 5 CDBDMO O=c1ccccn1C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930340878 845156554 /nfs/dbraw/zinc/15/65/54/845156554.db2.gz PHBMWDUHDWTNKU-AWEZNQCLSA-N 1 1 287.319 1.456 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809981308 845208993 /nfs/dbraw/zinc/20/89/93/845208993.db2.gz GQYHCFXXADRCAF-GUTXKFCHSA-N 1 1 290.319 1.824 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000804406823 845440895 /nfs/dbraw/zinc/44/08/95/845440895.db2.gz MDMHDRYDSRUJLD-UHFFFAOYSA-N 1 1 252.318 1.929 20 5 CDBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000819259150 845473014 /nfs/dbraw/zinc/47/30/14/845473014.db2.gz UKTUQERCOJBTSL-JOYOIKCWSA-N 1 1 291.311 1.108 20 5 CDBDMO COC[C@@]1(C)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840107759 845522204 /nfs/dbraw/zinc/52/22/04/845522204.db2.gz MKSWHYURHJGQCO-ZDUSSCGKSA-N 1 1 282.344 1.724 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840107759 845522209 /nfs/dbraw/zinc/52/22/09/845522209.db2.gz MKSWHYURHJGQCO-ZDUSSCGKSA-N 1 1 282.344 1.724 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579231 845558178 /nfs/dbraw/zinc/55/81/78/845558178.db2.gz JNLZJNCEDQHLHR-ZDUSSCGKSA-N 1 1 295.339 1.038 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579231 845558186 /nfs/dbraw/zinc/55/81/86/845558186.db2.gz JNLZJNCEDQHLHR-ZDUSSCGKSA-N 1 1 295.339 1.038 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702622006 845773272 /nfs/dbraw/zinc/77/32/72/845773272.db2.gz DQRSCIQPLOJRHM-LBPRGKRZSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000872266207 845862145 /nfs/dbraw/zinc/86/21/45/845862145.db2.gz CGEIQFDSPLDDKM-PHIMTYICSA-N 1 1 293.279 1.581 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313119 845958599 /nfs/dbraw/zinc/95/85/99/845958599.db2.gz FYOZWAFCCGQQBD-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO [NH3+]CC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923352269 846481833 /nfs/dbraw/zinc/48/18/33/846481833.db2.gz CLJGQGAHWFQEQJ-DZGCQCFKSA-N 1 1 293.367 1.832 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000842622090 846518721 /nfs/dbraw/zinc/51/87/21/846518721.db2.gz NLLYJCDIWRWTDH-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000842622090 846518722 /nfs/dbraw/zinc/51/87/22/846518722.db2.gz NLLYJCDIWRWTDH-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826861109 846618762 /nfs/dbraw/zinc/61/87/62/846618762.db2.gz RQFGEDWSNZGPNN-CYBMUJFWSA-N 1 1 299.415 1.916 20 5 CDBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000712554903 846843360 /nfs/dbraw/zinc/84/33/60/846843360.db2.gz DSRPCGDPXUWALE-SNVBAGLBSA-N 1 1 278.312 1.070 20 5 CDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325804 846884774 /nfs/dbraw/zinc/88/47/74/846884774.db2.gz NBMPZQGWVMMCFW-AAVRWANBSA-N 1 1 295.383 1.326 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852095533 847022703 /nfs/dbraw/zinc/02/27/03/847022703.db2.gz AMUJOUQYWMTUPP-WFASDCNBSA-N 1 1 295.383 1.947 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000776598602 847318852 /nfs/dbraw/zinc/31/88/52/847318852.db2.gz SLTYUPDONAUECV-CQSZACIVSA-N 1 1 292.335 1.883 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000776598602 847318858 /nfs/dbraw/zinc/31/88/58/847318858.db2.gz SLTYUPDONAUECV-CQSZACIVSA-N 1 1 292.335 1.883 20 5 CDBDMO COC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000716803988 847343646 /nfs/dbraw/zinc/34/36/46/847343646.db2.gz WHUIAPWAELEMEH-GFCCVEGCSA-N 1 1 272.276 1.221 20 5 CDBDMO CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000151507 847577148 /nfs/dbraw/zinc/57/71/48/847577148.db2.gz XFTCFPWEROEPJG-CHWSQXEVSA-N 1 1 295.383 1.422 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173450584 847599696 /nfs/dbraw/zinc/59/96/96/847599696.db2.gz WIXUOJKVMOGWFJ-LBPRGKRZSA-N 1 1 281.360 1.413 20 5 CDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[NH+]1CCCC1 ZINC000839949661 847681934 /nfs/dbraw/zinc/68/19/34/847681934.db2.gz MPBNZKUGEKCEDV-AWEZNQCLSA-N 1 1 291.307 1.585 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000866060551 847976459 /nfs/dbraw/zinc/97/64/59/847976459.db2.gz FUVDGKLVEZICMR-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001173220441 912304824 /nfs/dbraw/zinc/30/48/24/912304824.db2.gz ADSJXWGYIHOOQI-DDTOSNHZSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)C1 ZINC001173229280 912321584 /nfs/dbraw/zinc/32/15/84/912321584.db2.gz SFBIJCQKPUZOQU-ZWNOBZJWSA-N 1 1 250.298 1.592 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)nc(N2CCc3[nH+]ccn3CC2)c1 ZINC001167178211 894813520 /nfs/dbraw/zinc/81/35/20/894813520.db2.gz NBVSGGRRKHGKGF-UHFFFAOYSA-N 1 1 293.714 1.902 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167351266 895409424 /nfs/dbraw/zinc/40/94/24/895409424.db2.gz KXBXYKORCZJWRK-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1nccnc1[N+](=O)[O-] ZINC001167780782 900507484 /nfs/dbraw/zinc/50/74/84/900507484.db2.gz BUOICYKEEQINGX-UHFFFAOYSA-N 1 1 260.257 1.283 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)CC2 ZINC001172904765 912036172 /nfs/dbraw/zinc/03/61/72/912036172.db2.gz AJAVQNMQCWZEJQ-VHDGCEQUSA-N 1 1 294.326 1.857 20 5 CDBDMO CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450208 915418631 /nfs/dbraw/zinc/41/86/31/915418631.db2.gz XUUAOFARSOOYEV-VXGBXAGGSA-N 1 1 271.361 1.326 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001117687913 921980191 /nfs/dbraw/zinc/98/01/91/921980191.db2.gz RALZWTKTEKMYDT-QWRGUYRKSA-N 1 1 276.340 1.757 20 5 CDBDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979258 927567956 /nfs/dbraw/zinc/56/79/56/927567956.db2.gz XYPJFUVFDWTWRV-NWDGAFQWSA-N 1 1 257.378 1.609 20 5 CDBDMO COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968420 927591609 /nfs/dbraw/zinc/59/16/09/927591609.db2.gz YXXCSYNFGMSULR-WOPDTQHZSA-N 1 1 272.345 1.609 20 5 CDBDMO CCC(CC)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001169006476 927612062 /nfs/dbraw/zinc/61/20/62/927612062.db2.gz XWUBGMQVAIJCEG-WDEREUQCSA-N 1 1 272.345 1.753 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168988612 927626481 /nfs/dbraw/zinc/62/64/81/927626481.db2.gz SWHPJQFQEIXZRU-UHTWSYAYSA-N 1 1 284.356 1.753 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C1 ZINC001169039505 927650537 /nfs/dbraw/zinc/65/05/37/927650537.db2.gz QIPXIXKIBMHRRY-SSRBZLIGSA-N 1 1 294.273 1.836 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C1 ZINC001169039503 927651316 /nfs/dbraw/zinc/65/13/16/927651316.db2.gz QIPXIXKIBMHRRY-QHZLYTNSSA-N 1 1 294.273 1.836 20 5 CDBDMO CN(C1CC1)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044519 927656591 /nfs/dbraw/zinc/65/65/91/927656591.db2.gz HZNRPXLGRSYUFJ-MRVWCRGKSA-N 1 1 267.373 1.600 20 5 CDBDMO C[N@H+](C1CC1)[C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044519 927656599 /nfs/dbraw/zinc/65/65/99/927656599.db2.gz HZNRPXLGRSYUFJ-MRVWCRGKSA-N 1 1 267.373 1.600 20 5 CDBDMO C[N@@H+](C1CC1)[C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169044519 927656606 /nfs/dbraw/zinc/65/66/06/927656606.db2.gz HZNRPXLGRSYUFJ-MRVWCRGKSA-N 1 1 267.373 1.600 20 5 CDBDMO O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880293727 929647766 /nfs/dbraw/zinc/64/77/66/929647766.db2.gz CBWNVFCTTSEHPQ-JTQLQIEISA-N 1 1 281.287 1.825 20 5 CDBDMO O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880293727 929647774 /nfs/dbraw/zinc/64/77/74/929647774.db2.gz CBWNVFCTTSEHPQ-JTQLQIEISA-N 1 1 281.287 1.825 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117795728 937554559 /nfs/dbraw/zinc/55/45/59/937554559.db2.gz ZEMILNPCIQQAMY-UHFFFAOYSA-N 1 1 296.371 1.923 20 5 CDBDMO CCCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123574015 936182448 /nfs/dbraw/zinc/18/24/48/936182448.db2.gz MHPWMIWMYNBHNL-UHFFFAOYSA-N 1 1 297.359 1.114 20 5 CDBDMO C[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591663 938390325 /nfs/dbraw/zinc/39/03/25/938390325.db2.gz XSJAWRABZZSRHS-NSHDSACASA-N 1 1 292.339 1.247 20 5 CDBDMO CC[N@H+]1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])C(C)(C)C1 ZINC001158561442 938637201 /nfs/dbraw/zinc/63/72/01/938637201.db2.gz DTOYHQNTABCTGC-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001159743337 938748810 /nfs/dbraw/zinc/74/88/10/938748810.db2.gz CRMLJCJRKUNOAI-SNVBAGLBSA-N 1 1 274.708 1.421 20 5 CDBDMO O=C(NCCC1(C[NH2+]CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494860 939479434 /nfs/dbraw/zinc/47/94/34/939479434.db2.gz WDOXUDIWWDRCJT-CHWSQXEVSA-N 1 1 295.383 1.328 20 5 CDBDMO Cc1ccnc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001165203857 939523283 /nfs/dbraw/zinc/52/32/83/939523283.db2.gz JTMRILPUBGEFJJ-LLVKDONJSA-N 1 1 292.339 1.208 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001165386078 939555684 /nfs/dbraw/zinc/55/56/84/939555684.db2.gz XJZOKVQAVOEUTD-UHFFFAOYSA-N 1 1 289.295 1.062 20 5 CDBDMO COc1cnc(N2CCn3c(C)[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC001165386105 939555741 /nfs/dbraw/zinc/55/57/41/939555741.db2.gz XQNGYMRCBXNZCR-UHFFFAOYSA-N 1 1 289.295 1.524 20 5 CDBDMO C[N+](C)(C)CCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224772572 941789892 /nfs/dbraw/zinc/78/98/92/941789892.db2.gz ALQDLHGSZLKESI-QGZVFWFLSA-N 1 1 293.431 1.610 20 5 CDBDMO C[N@H+]1CCC[C@H]1CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224817402 941795715 /nfs/dbraw/zinc/79/57/15/941795715.db2.gz PAEORJFHIAHCDR-QWHCGFSZSA-N 1 1 265.313 1.510 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666155 941896698 /nfs/dbraw/zinc/89/66/98/941896698.db2.gz GXONDMGDZIRDIW-QMMMGPOBSA-N 1 1 253.258 1.168 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667043 941897237 /nfs/dbraw/zinc/89/72/37/941897237.db2.gz ORMNVKXRTHKURM-VIFPVBQESA-N 1 1 267.285 1.559 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227089856 942130339 /nfs/dbraw/zinc/13/03/39/942130339.db2.gz AYWLFEIBHYXYAO-VIFPVBQESA-N 1 1 290.279 1.327 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769319 942373246 /nfs/dbraw/zinc/37/32/46/942373246.db2.gz QCTVALOOHDJECR-LBPRGKRZSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+](CCCNC(=O)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001231064673 942772217 /nfs/dbraw/zinc/77/22/17/942772217.db2.gz LOOSWXCHMWTOFL-UHFFFAOYSA-N 1 1 291.351 1.943 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233696893 943642337 /nfs/dbraw/zinc/64/23/37/943642337.db2.gz VEUILBUWEQZQFQ-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233696893 943642339 /nfs/dbraw/zinc/64/23/39/943642339.db2.gz VEUILBUWEQZQFQ-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](F)(CO)C1 ZINC001254552574 947522539 /nfs/dbraw/zinc/52/25/39/947522539.db2.gz MYWIMZLGGNGWDI-FZMZJTMJSA-N 1 1 282.315 1.932 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](F)(CO)C1 ZINC001254552574 947522546 /nfs/dbraw/zinc/52/25/46/947522546.db2.gz MYWIMZLGGNGWDI-FZMZJTMJSA-N 1 1 282.315 1.932 20 5 CDBDMO CCN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597329 947544740 /nfs/dbraw/zinc/54/47/40/947544740.db2.gz HKZDUJMSRWWUJQ-OAHLLOKOSA-N 1 1 275.352 1.700 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H](O)C1)C2 ZINC001254595755 947545018 /nfs/dbraw/zinc/54/50/18/947545018.db2.gz ZKEXVTWRYYJOOB-GJZGRUSLSA-N 1 1 276.336 1.909 20 5 CDBDMO CC[N@H+]([C@@H](C)C(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610194 947555762 /nfs/dbraw/zinc/55/57/62/947555762.db2.gz IOEJAAHTVLCFKY-IINYFYTJSA-N 1 1 292.335 1.945 20 5 CDBDMO CC[N@@H+]([C@@H](C)C(=O)OC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610194 947555772 /nfs/dbraw/zinc/55/57/72/947555772.db2.gz IOEJAAHTVLCFKY-IINYFYTJSA-N 1 1 292.335 1.945 20 5 CDBDMO C[C@@]1(O)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001308823777 956584289 /nfs/dbraw/zinc/58/42/89/956584289.db2.gz HGTJTWNGNDRWPY-KTLJEJPDSA-N 1 1 277.280 1.739 20 5 CDBDMO C[C@]1(CO)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001331251683 956917445 /nfs/dbraw/zinc/91/74/45/956917445.db2.gz CZGHZESLYUWPGO-ZDUSSCGKSA-N 1 1 265.313 1.584 20 5 CDBDMO C[C@]1(CO)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001331251683 956917454 /nfs/dbraw/zinc/91/74/54/956917454.db2.gz CZGHZESLYUWPGO-ZDUSSCGKSA-N 1 1 265.313 1.584 20 5 CDBDMO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC001336805707 960608046 /nfs/dbraw/zinc/60/80/46/960608046.db2.gz XDRRUHDQJWEDCX-CQSZACIVSA-N 1 1 293.367 1.332 20 5 CDBDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC001354696858 968846762 /nfs/dbraw/zinc/84/67/62/968846762.db2.gz KMGBZMSAEPFSIW-CYBMUJFWSA-N 1 1 252.314 1.453 20 5 CDBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC001354696858 968846773 /nfs/dbraw/zinc/84/67/73/968846773.db2.gz KMGBZMSAEPFSIW-CYBMUJFWSA-N 1 1 252.314 1.453 20 5 CDBDMO Nc1cc(NCC[N@@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001515721179 969914150 /nfs/dbraw/zinc/91/41/50/969914150.db2.gz UBNSSUVHTLHKHP-UHFFFAOYSA-N 1 1 263.301 1.246 20 5 CDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000601187867 342488134 /nfs/dbraw/zinc/48/81/34/342488134.db2.gz YCHFWKRWMFOOOW-UHFFFAOYSA-N 1 1 256.331 1.582 20 5 CDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000601187867 342488135 /nfs/dbraw/zinc/48/81/35/342488135.db2.gz YCHFWKRWMFOOOW-UHFFFAOYSA-N 1 1 256.331 1.582 20 5 CDBDMO O=C(NCCC[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000044880802 341995958 /nfs/dbraw/zinc/99/59/58/341995958.db2.gz SYSMRSORRQVUFD-UHFFFAOYSA-N 1 1 299.352 1.108 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000124815903 187155773 /nfs/dbraw/zinc/15/57/73/187155773.db2.gz BETUSRKTNGJGRW-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048560084 342093113 /nfs/dbraw/zinc/09/31/13/342093113.db2.gz OTNIYWZRPNTXTP-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO C[C@@H](N)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581404 342637866 /nfs/dbraw/zinc/63/78/66/342637866.db2.gz VIQVODOYOAFZEQ-MFKMUULPSA-N 1 1 263.341 1.853 20 5 CDBDMO Cc1ccc(OCc2noc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000311532863 342151836 /nfs/dbraw/zinc/15/18/36/342151836.db2.gz YLIDKVQZQZHQBI-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1[N+](=O)[O-] ZINC000074769347 342303651 /nfs/dbraw/zinc/30/36/51/342303651.db2.gz NNHWAAOUPPQRTF-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO CC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298025 343027867 /nfs/dbraw/zinc/02/78/67/343027867.db2.gz NEVHLBVTXMTVLE-UHFFFAOYSA-N 1 1 295.314 1.834 20 5 CDBDMO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595505134 343079327 /nfs/dbraw/zinc/07/93/27/343079327.db2.gz NOBYZAJWBVFPOL-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO Cc1noc(C[N@@H+](C)[C@H](C)C(C)(C)O)c1[N+](=O)[O-] ZINC000595508776 343080809 /nfs/dbraw/zinc/08/08/09/343080809.db2.gz BPDIXSZPHHDSNJ-MRVPVSSYSA-N 1 1 257.290 1.482 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@H](C)C(C)(C)O)c1[N+](=O)[O-] ZINC000595508776 343080812 /nfs/dbraw/zinc/08/08/12/343080812.db2.gz BPDIXSZPHHDSNJ-MRVPVSSYSA-N 1 1 257.290 1.482 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCCOCC2)c(F)c1 ZINC000515044830 362027919 /nfs/dbraw/zinc/02/79/19/362027919.db2.gz VMHWHSDUMMETHZ-UHFFFAOYSA-N 1 1 284.291 1.263 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCCOCC2)c(F)c1 ZINC000515044830 362027926 /nfs/dbraw/zinc/02/79/26/362027926.db2.gz VMHWHSDUMMETHZ-UHFFFAOYSA-N 1 1 284.291 1.263 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860140 343173807 /nfs/dbraw/zinc/17/38/07/343173807.db2.gz HYJZBJPGYQQBRE-QPUJVOFHSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860140 343173809 /nfs/dbraw/zinc/17/38/09/343173809.db2.gz HYJZBJPGYQQBRE-QPUJVOFHSA-N 1 1 269.301 1.342 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CC1(C)C ZINC000595913879 343190377 /nfs/dbraw/zinc/19/03/77/343190377.db2.gz VYMVQHZFTLMOPA-SNVBAGLBSA-N 1 1 252.318 1.769 20 5 CDBDMO Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])s1 ZINC000596109544 343229470 /nfs/dbraw/zinc/22/94/70/343229470.db2.gz CWFATTXPAAEIEG-VIFPVBQESA-N 1 1 285.369 1.468 20 5 CDBDMO Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])s1 ZINC000596120419 343247616 /nfs/dbraw/zinc/24/76/16/343247616.db2.gz FLAALWIHPWOWFS-SNVBAGLBSA-N 1 1 284.385 1.622 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596238197 343283508 /nfs/dbraw/zinc/28/35/08/343283508.db2.gz LMAZNRFUAJCATF-SNVBAGLBSA-N 1 1 294.355 1.834 20 5 CDBDMO CC[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268868 343280812 /nfs/dbraw/zinc/28/08/12/343280812.db2.gz LXHGQSAPDZYAPE-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596334501 343297614 /nfs/dbraw/zinc/29/76/14/343297614.db2.gz ANJRKKBIFYZKRG-SECBINFHSA-N 1 1 280.328 1.980 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000599175993 343966390 /nfs/dbraw/zinc/96/63/90/343966390.db2.gz MVQHKZRXHCWJHI-SNVBAGLBSA-N 1 1 281.312 1.082 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602084106 344329050 /nfs/dbraw/zinc/32/90/50/344329050.db2.gz QBLISKFWLGASDC-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602105997 344336504 /nfs/dbraw/zinc/33/65/04/344336504.db2.gz ZQFDKICPKVKWBX-AWEZNQCLSA-N 1 1 289.335 1.968 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602105997 344336507 /nfs/dbraw/zinc/33/65/07/344336507.db2.gz ZQFDKICPKVKWBX-AWEZNQCLSA-N 1 1 289.335 1.968 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683940 344529447 /nfs/dbraw/zinc/52/94/47/344529447.db2.gz YJQWRVNIMPODPT-LDYMZIIASA-N 1 1 277.280 1.691 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683940 344529449 /nfs/dbraw/zinc/52/94/49/344529449.db2.gz YJQWRVNIMPODPT-LDYMZIIASA-N 1 1 277.280 1.691 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000602778736 344595084 /nfs/dbraw/zinc/59/50/84/344595084.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 1 1 295.387 1.373 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826865 344612380 /nfs/dbraw/zinc/61/23/80/344612380.db2.gz OHWIZTPOCXUMAY-ZYHUDNBSSA-N 1 1 282.344 1.599 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293133877 362532324 /nfs/dbraw/zinc/53/23/24/362532324.db2.gz NBJRBJOZYNHTNN-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164195 362602220 /nfs/dbraw/zinc/60/22/20/362602220.db2.gz UCUZDSMRZBSNIA-LLVKDONJSA-N 1 1 292.339 1.590 20 5 CDBDMO CCO[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485191 346297242 /nfs/dbraw/zinc/29/72/42/346297242.db2.gz BBRGSZWUJSEDBU-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000610476282 346288918 /nfs/dbraw/zinc/28/89/18/346288918.db2.gz NOWLDIGIGHDVCW-UHFFFAOYSA-N 1 1 264.329 1.949 20 5 CDBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900733 346484470 /nfs/dbraw/zinc/48/44/70/346484470.db2.gz JTBMKAGHTMQMRT-SCZZXKLOSA-N 1 1 299.352 1.105 20 5 CDBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900733 346484473 /nfs/dbraw/zinc/48/44/73/346484473.db2.gz JTBMKAGHTMQMRT-SCZZXKLOSA-N 1 1 299.352 1.105 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886299 348712326 /nfs/dbraw/zinc/71/23/26/348712326.db2.gz PEGYRNBKCKCYEQ-NSHDSACASA-N 1 1 293.323 1.380 20 5 CDBDMO CC[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000029841423 348673528 /nfs/dbraw/zinc/67/35/28/348673528.db2.gz HBEQAAJUOZZLIR-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO CC[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000029841423 348673530 /nfs/dbraw/zinc/67/35/30/348673530.db2.gz HBEQAAJUOZZLIR-UHFFFAOYSA-N 1 1 292.295 1.459 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000312007896 350737878 /nfs/dbraw/zinc/73/78/78/350737878.db2.gz RILNVRVVHCKFJA-GFCCVEGCSA-N 1 1 267.304 1.918 20 5 CDBDMO CN1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000312007896 350737880 /nfs/dbraw/zinc/73/78/80/350737880.db2.gz RILNVRVVHCKFJA-GFCCVEGCSA-N 1 1 267.304 1.918 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767434 350966820 /nfs/dbraw/zinc/96/68/20/350966820.db2.gz KWSJTMQCBHZQQM-CYBMUJFWSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[C@@H](C(N)=O)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282351538 351535327 /nfs/dbraw/zinc/53/53/27/351535327.db2.gz COGXCRLMDYKNDK-LBPRGKRZSA-N 1 1 265.313 1.333 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292166200 198189029 /nfs/dbraw/zinc/18/90/29/198189029.db2.gz PANADMOOXOLWRO-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292166200 198189031 /nfs/dbraw/zinc/18/90/31/198189031.db2.gz PANADMOOXOLWRO-UHFFFAOYSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000271664025 191265619 /nfs/dbraw/zinc/26/56/19/191265619.db2.gz YVBQFUYNOKDTCA-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153466719 188084027 /nfs/dbraw/zinc/08/40/27/188084027.db2.gz HDOVIIRNHOURIN-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO C[N@@H+](CCOCC1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154438870 188142190 /nfs/dbraw/zinc/14/21/90/188142190.db2.gz AVZYFPATGIXBPJ-HNNXBMFYSA-N 1 1 294.351 1.987 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000286270195 356240139 /nfs/dbraw/zinc/24/01/39/356240139.db2.gz HIKVVGKYKKYJPV-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000358667674 356322159 /nfs/dbraw/zinc/32/21/59/356322159.db2.gz QYNYHWCVXRXBHO-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000358667674 356322163 /nfs/dbraw/zinc/32/21/63/356322163.db2.gz QYNYHWCVXRXBHO-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(N)=O ZINC000286443678 356420105 /nfs/dbraw/zinc/42/01/05/356420105.db2.gz LXCRXLXDVLKTAU-VIFPVBQESA-N 1 1 251.286 1.463 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000084726588 357130926 /nfs/dbraw/zinc/13/09/26/357130926.db2.gz QWSAWCPWMSICQT-GFCCVEGCSA-N 1 1 278.356 1.561 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291691 357221370 /nfs/dbraw/zinc/22/13/70/357221370.db2.gz SZRMGEFZGKXSDF-QPUJVOFHSA-N 1 1 284.287 1.555 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291691 357221374 /nfs/dbraw/zinc/22/13/74/357221374.db2.gz SZRMGEFZGKXSDF-QPUJVOFHSA-N 1 1 284.287 1.555 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290587573 357226764 /nfs/dbraw/zinc/22/67/64/357226764.db2.gz MALRLORRRSQDKU-LLVKDONJSA-N 1 1 297.359 1.028 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408068026 357803785 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CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)O ZINC000092971531 359046573 /nfs/dbraw/zinc/04/65/73/359046573.db2.gz MLXANHBPZYOKMQ-UHFFFAOYSA-N 1 1 283.284 1.706 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000120037575 359068594 /nfs/dbraw/zinc/06/85/94/359068594.db2.gz FNFXCEBROWDIGL-VIFPVBQESA-N 1 1 256.331 1.229 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451700591 359072107 /nfs/dbraw/zinc/07/21/07/359072107.db2.gz XVODCFOIYZWUMU-YRGRVCCFSA-N 1 1 294.355 1.274 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467664 359063517 /nfs/dbraw/zinc/06/35/17/359063517.db2.gz RLJYCAQVQNHQHD-PSASIEDQSA-N 1 1 295.364 1.869 20 5 CDBDMO CN1CCO[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046554 359335784 /nfs/dbraw/zinc/33/57/84/359335784.db2.gz FENVESMHACHVEV-KBPBESRZSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046554 359335789 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C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000573983119 391645122 /nfs/dbraw/zinc/64/51/22/391645122.db2.gz LDVQOUNXNKHLFZ-JGVFFNPUSA-N 1 1 256.331 1.580 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341801760 130039659 /nfs/dbraw/zinc/03/96/59/130039659.db2.gz UWZZYGOMNVWFQC-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341801760 130039660 /nfs/dbraw/zinc/03/96/60/130039660.db2.gz UWZZYGOMNVWFQC-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO CC1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304286307 130064587 /nfs/dbraw/zinc/06/45/87/130064587.db2.gz FPUGOBKXIZBDBM-YIZWMMSDSA-N 1 1 296.371 1.663 20 5 CDBDMO C[C@H](O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190813735 130149660 /nfs/dbraw/zinc/14/96/60/130149660.db2.gz ZJRBNPCTAYTSRZ-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190904123 130159066 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CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000521441580 392866738 /nfs/dbraw/zinc/86/67/38/392866738.db2.gz XREUAXNEQAZEOG-GFCCVEGCSA-N 1 1 278.312 1.669 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430211079 393092415 /nfs/dbraw/zinc/09/24/15/393092415.db2.gz WSHUTQQIEHEHCS-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430204236 393093146 /nfs/dbraw/zinc/09/31/46/393093146.db2.gz GYTABOLEYCOMLA-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000430612658 393102384 /nfs/dbraw/zinc/10/23/84/393102384.db2.gz SDXAONVQIBHETP-UHFFFAOYSA-N 1 1 279.340 1.657 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275369277 135105054 /nfs/dbraw/zinc/10/50/54/135105054.db2.gz NAVFAGSEMKUHAH-MNOVXSKESA-N 1 1 294.355 1.190 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105608 140191260 /nfs/dbraw/zinc/19/12/60/140191260.db2.gz BSNAVDTYGMAOFZ-ZKYQVNSYSA-N 1 1 262.309 1.798 20 5 CDBDMO C[NH2+]CCCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423188578 397602469 /nfs/dbraw/zinc/60/24/69/397602469.db2.gz ODMNTUNOKYYYOR-NSHDSACASA-N 1 1 294.355 1.511 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352665866 155336494 /nfs/dbraw/zinc/33/64/94/155336494.db2.gz GDNGBMLHVHXSGX-QWHCGFSZSA-N 1 1 280.324 1.949 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000374352736 160276955 /nfs/dbraw/zinc/27/69/55/160276955.db2.gz QBWCJUJTZGNBJX-JTQLQIEISA-N 1 1 273.296 1.717 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763421 196390960 /nfs/dbraw/zinc/39/09/60/196390960.db2.gz ZNWXIIDSJIDNKF-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO Cc1nn(C)c(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000044538003 175199446 /nfs/dbraw/zinc/19/94/46/175199446.db2.gz FZFVNUKSHMITDE-SNVBAGLBSA-N 1 1 267.333 1.390 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537660 175200085 /nfs/dbraw/zinc/20/00/85/175200085.db2.gz XFTBPQVVPKVWTH-SNVBAGLBSA-N 1 1 250.302 1.744 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563214 175206591 /nfs/dbraw/zinc/20/65/91/175206591.db2.gz SFPKKCXVOJBRQG-VIFPVBQESA-N 1 1 251.290 1.281 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616576 270232003 /nfs/dbraw/zinc/23/20/03/270232003.db2.gz PGDMWMKEMUKJET-AWEZNQCLSA-N 1 1 280.324 1.350 20 5 CDBDMO CCOC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616576 270232005 /nfs/dbraw/zinc/23/20/05/270232005.db2.gz PGDMWMKEMUKJET-AWEZNQCLSA-N 1 1 280.324 1.350 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000268866014 277085233 /nfs/dbraw/zinc/08/52/33/277085233.db2.gz SQIFWFXVQCGKIJ-NWDGAFQWSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000423496018 279381887 /nfs/dbraw/zinc/38/18/87/279381887.db2.gz VUSKVEXTIBPPNF-OCCSQVGLSA-N 1 1 293.367 1.494 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000408343085 279385393 /nfs/dbraw/zinc/38/53/93/279385393.db2.gz NGBNGWMZGNVFHK-MNOVXSKESA-N 1 1 279.344 1.249 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(O)C1 ZINC000570271002 294205288 /nfs/dbraw/zinc/20/52/88/294205288.db2.gz OIQCHRLTOAFLKB-UHFFFAOYSA-N 1 1 276.296 1.426 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(O)C1 ZINC000570271002 294205291 /nfs/dbraw/zinc/20/52/91/294205291.db2.gz OIQCHRLTOAFLKB-UHFFFAOYSA-N 1 1 276.296 1.426 20 5 CDBDMO [NH3+]Cc1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000571083983 294366672 /nfs/dbraw/zinc/36/66/72/294366672.db2.gz YIAGIUFVQNCADT-VHSXEESVSA-N 1 1 260.253 1.708 20 5 CDBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)c1nc(C[NH3+])no1 ZINC000575867286 317028953 /nfs/dbraw/zinc/02/89/53/317028953.db2.gz IDSRAJONPFCPDJ-SSDOTTSWSA-N 1 1 295.303 1.042 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000576175169 317091671 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C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000058858374 522862180 /nfs/dbraw/zinc/86/21/80/522862180.db2.gz DQJRZMOIIHOVPB-UHFFFAOYSA-N 1 1 296.302 1.140 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455361 523990426 /nfs/dbraw/zinc/99/04/26/523990426.db2.gz ZQZIZHLPJSCXRP-LURJTMIESA-N 1 1 257.681 1.154 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192568476 527800665 /nfs/dbraw/zinc/80/06/65/527800665.db2.gz ZVIFSKDJAMGSCL-UHFFFAOYSA-N 1 1 281.312 1.285 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876585 576440440 /nfs/dbraw/zinc/44/04/40/576440440.db2.gz MCIGHZHENBCFNX-CYBMUJFWSA-N 1 1 280.324 1.475 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685269 575486769 /nfs/dbraw/zinc/48/67/69/575486769.db2.gz PGDNJEVOQNEXNF-OAHLLOKOSA-N 1 1 293.367 1.654 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000771286829 575564796 /nfs/dbraw/zinc/56/47/96/575564796.db2.gz GQHFMLYZKFCBHN-MNOVXSKESA-N 1 1 289.339 1.771 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694342 576958378 /nfs/dbraw/zinc/95/83/78/576958378.db2.gz VYDGFMHPHFPFGG-WFASDCNBSA-N 1 1 293.367 1.654 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000892093582 617477855 /nfs/dbraw/zinc/47/78/55/617477855.db2.gz MJDHFPUKEWMONO-CQSZACIVSA-N 1 1 296.323 1.656 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000892093582 617477859 /nfs/dbraw/zinc/47/78/59/617477859.db2.gz MJDHFPUKEWMONO-CQSZACIVSA-N 1 1 296.323 1.656 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934242 618192581 /nfs/dbraw/zinc/19/25/81/618192581.db2.gz GGYZTUAISVYMBH-TVQRCGJNSA-N 1 1 265.288 1.874 20 5 CDBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560832 619383043 /nfs/dbraw/zinc/38/30/43/619383043.db2.gz WLDYXRFAXRZTAA-GXSJLCMTSA-N 1 1 295.314 1.658 20 5 CDBDMO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246760 619492195 /nfs/dbraw/zinc/49/21/95/619492195.db2.gz BZDWFNAXYQHHOD-HZMBPMFUSA-N 1 1 296.346 1.780 20 5 CDBDMO CCO[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000897068657 620368452 /nfs/dbraw/zinc/36/84/52/620368452.db2.gz WTLBNPRXHDYODY-NSHDSACASA-N 1 1 296.323 1.920 20 5 CDBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000897068657 620368454 /nfs/dbraw/zinc/36/84/54/620368454.db2.gz WTLBNPRXHDYODY-NSHDSACASA-N 1 1 296.323 1.920 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000929198978 632843023 /nfs/dbraw/zinc/84/30/23/632843023.db2.gz MBQOXVOJYDUIEF-CQSZACIVSA-N 1 1 264.325 1.709 20 5 CDBDMO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001609277135 1164877096 /nfs/dbraw/zinc/87/70/96/1164877096.db2.gz HNCCCPLJEANKHP-UHFFFAOYSA-N 1 1 288.311 1.617 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001307200716 1167457637 /nfs/dbraw/zinc/45/76/37/1167457637.db2.gz NTFLZSBFFCAVRQ-SNVBAGLBSA-N 1 1 296.327 1.218 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000158930716 697847908 /nfs/dbraw/zinc/84/79/08/697847908.db2.gz FITRANKWPVMWEN-ZJUUUORDSA-N 1 1 292.339 1.390 20 5 CDBDMO [NH3+]CC[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000923485642 698007737 /nfs/dbraw/zinc/00/77/37/698007737.db2.gz KRUJSQXBWRKTPB-JTQLQIEISA-N 1 1 267.304 1.905 20 5 CDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCC2CC2)CC1 ZINC001045437673 698051166 /nfs/dbraw/zinc/05/11/66/698051166.db2.gz YEQRFGWCNKBBKN-CHWSQXEVSA-N 1 1 295.383 1.422 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959914 698228315 /nfs/dbraw/zinc/22/83/15/698228315.db2.gz TXSLCLGLOMYITI-JTQLQIEISA-N 1 1 250.302 1.683 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c([N+](=O)[O-])n1 ZINC000886636118 698277389 /nfs/dbraw/zinc/27/73/89/698277389.db2.gz GLTIYUNOTJDKQY-DGCLKSJQSA-N 1 1 280.328 1.065 20 5 CDBDMO CC(C)CN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948519 698296681 /nfs/dbraw/zinc/29/66/81/698296681.db2.gz YACDURWMWAIDTB-AWEZNQCLSA-N 1 1 279.340 1.883 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482453 698308923 /nfs/dbraw/zinc/30/89/23/698308923.db2.gz BJWTWJWOHIMMFN-STQMWFEESA-N 1 1 294.355 1.867 20 5 CDBDMO COCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H](C)C1 ZINC000790477717 698330127 /nfs/dbraw/zinc/33/01/27/698330127.db2.gz IWVAZMBDLYNELE-VXGBXAGGSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H](C)C1 ZINC000790477717 698330130 /nfs/dbraw/zinc/33/01/30/698330130.db2.gz IWVAZMBDLYNELE-VXGBXAGGSA-N 1 1 282.344 1.886 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000776581915 698333079 /nfs/dbraw/zinc/33/30/79/698333079.db2.gz IZAGULXSLXADLU-DOMZBBRYSA-N 1 1 294.351 1.723 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177225028 698384406 /nfs/dbraw/zinc/38/44/06/698384406.db2.gz CLTMNCAAVRIBGB-CYBMUJFWSA-N 1 1 296.327 1.251 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177225028 698384414 /nfs/dbraw/zinc/38/44/14/698384414.db2.gz CLTMNCAAVRIBGB-CYBMUJFWSA-N 1 1 296.327 1.251 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000879141953 698392074 /nfs/dbraw/zinc/39/20/74/698392074.db2.gz GEWLEIPJTBAATH-KFWWJZLASA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082906 698662540 /nfs/dbraw/zinc/66/25/40/698662540.db2.gz CCCNVVCIKUECTD-CMPLNLGQSA-N 1 1 265.313 1.725 20 5 CDBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886157748 698893313 /nfs/dbraw/zinc/89/33/13/698893313.db2.gz JZDWKMVRWLVYKH-NXEZZACHSA-N 1 1 265.313 1.724 20 5 CDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144397 698971538 /nfs/dbraw/zinc/97/15/38/698971538.db2.gz YVRUWSVKZVMIDI-NEPJUHHUSA-N 1 1 280.328 1.638 20 5 CDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144397 698971546 /nfs/dbraw/zinc/97/15/46/698971546.db2.gz YVRUWSVKZVMIDI-NEPJUHHUSA-N 1 1 280.328 1.638 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218020 698999015 /nfs/dbraw/zinc/99/90/15/698999015.db2.gz MMFMGXMDEUQALX-GFCCVEGCSA-N 1 1 264.329 1.516 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CF)C1 ZINC000880296850 704883642 /nfs/dbraw/zinc/88/36/42/704883642.db2.gz HSZGGODLBMEQBQ-SNVBAGLBSA-N 1 1 269.276 1.048 20 5 CDBDMO COC[C@@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840106979 704897631 /nfs/dbraw/zinc/89/76/31/704897631.db2.gz WHMZZLOYTPYPMW-LBPRGKRZSA-N 1 1 268.317 1.416 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840106979 704897634 /nfs/dbraw/zinc/89/76/34/704897634.db2.gz WHMZZLOYTPYPMW-LBPRGKRZSA-N 1 1 268.317 1.416 20 5 CDBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930076854 704935104 /nfs/dbraw/zinc/93/51/04/704935104.db2.gz QMWFVJMPDOTKPO-LLVKDONJSA-N 1 1 258.318 1.318 20 5 CDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081222 705126642 /nfs/dbraw/zinc/12/66/42/705126642.db2.gz KDFXUSYWZHXIGM-WDEREUQCSA-N 1 1 265.313 1.583 20 5 CDBDMO COCC1=CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775826834 705162828 /nfs/dbraw/zinc/16/28/28/705162828.db2.gz NEKBQUYYCKPGCO-OAHLLOKOSA-N 1 1 292.335 1.907 20 5 CDBDMO CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000133991213 705184063 /nfs/dbraw/zinc/18/40/63/705184063.db2.gz DYIQVJBEEBCKRJ-UHFFFAOYSA-N 1 1 295.314 1.834 20 5 CDBDMO CC[N@@H+]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000882131428 705193214 /nfs/dbraw/zinc/19/32/14/705193214.db2.gz GIQVJDDWIFBDGW-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@H+]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000882131428 705193234 /nfs/dbraw/zinc/19/32/34/705193234.db2.gz GIQVJDDWIFBDGW-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839675998 705203646 /nfs/dbraw/zinc/20/36/46/705203646.db2.gz UZLVVKCNPZAEKE-OSAQELSMSA-N 1 1 294.351 1.721 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639360 719169806 /nfs/dbraw/zinc/16/98/06/719169806.db2.gz SBNXWMAPJVADRY-RKDXNWHRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639360 719169807 /nfs/dbraw/zinc/16/98/07/719169807.db2.gz SBNXWMAPJVADRY-RKDXNWHRSA-N 1 1 268.292 1.658 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164767102 721282324 /nfs/dbraw/zinc/28/23/24/721282324.db2.gz GGYXPPFTPHKYLB-UHFFFAOYSA-N 1 1 288.351 1.912 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000887059088 848134612 /nfs/dbraw/zinc/13/46/12/848134612.db2.gz BRLLFTRQLKGPQY-UFBFGSQYSA-N 1 1 283.303 1.724 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000852093329 848250808 /nfs/dbraw/zinc/25/08/08/848250808.db2.gz IDNYLKVQLIGJLI-JTQLQIEISA-N 1 1 269.301 1.486 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000852093329 848250815 /nfs/dbraw/zinc/25/08/15/848250815.db2.gz IDNYLKVQLIGJLI-JTQLQIEISA-N 1 1 269.301 1.486 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865500199 848348921 /nfs/dbraw/zinc/34/89/21/848348921.db2.gz UFWOOGVISZIPTC-UHFFFAOYSA-N 1 1 285.319 1.978 20 5 CDBDMO Cc1noc(C)c1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176207292 848373543 /nfs/dbraw/zinc/37/35/43/848373543.db2.gz CVXZPSHNOKJWJK-UHFFFAOYSA-N 1 1 279.300 1.528 20 5 CDBDMO Cc1noc(C)c1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176207292 848373547 /nfs/dbraw/zinc/37/35/47/848373547.db2.gz CVXZPSHNOKJWJK-UHFFFAOYSA-N 1 1 279.300 1.528 20 5 CDBDMO CC[NH+](CC)Cc1cn(Cc2cccnc2[N+](=O)[O-])nn1 ZINC000887463035 848434122 /nfs/dbraw/zinc/43/41/22/848434122.db2.gz MSJCNPAXKONOMG-UHFFFAOYSA-N 1 1 290.327 1.471 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000815296934 848498885 /nfs/dbraw/zinc/49/88/85/848498885.db2.gz INKFRDKHEFWGNC-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])n1 ZINC000886816176 848519516 /nfs/dbraw/zinc/51/95/16/848519516.db2.gz OUPGDPDUNYIFKK-PWSUYJOCSA-N 1 1 280.328 1.329 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000311813283 848618813 /nfs/dbraw/zinc/61/88/13/848618813.db2.gz GYPSNXIWUKKCPU-UHFFFAOYSA-N 1 1 261.285 1.915 20 5 CDBDMO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000819899006 848866571 /nfs/dbraw/zinc/86/65/71/848866571.db2.gz GTXYAMOGLBPFHE-GFCCVEGCSA-N 1 1 290.323 1.742 20 5 CDBDMO Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000819899006 848866576 /nfs/dbraw/zinc/86/65/76/848866576.db2.gz GTXYAMOGLBPFHE-GFCCVEGCSA-N 1 1 290.323 1.742 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886161982 849126868 /nfs/dbraw/zinc/12/68/68/849126868.db2.gz BTQVFXSFLMSIDK-CYBMUJFWSA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337910 849430184 /nfs/dbraw/zinc/43/01/84/849430184.db2.gz DUWGNHWNNNXCRK-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337910 849430188 /nfs/dbraw/zinc/43/01/88/849430188.db2.gz DUWGNHWNNNXCRK-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO COCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886009029 849548901 /nfs/dbraw/zinc/54/89/01/849548901.db2.gz ZSZBXXOTCPPNCX-UHFFFAOYSA-N 1 1 265.313 1.848 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](CF)C1 ZINC000880296848 849683958 /nfs/dbraw/zinc/68/39/58/849683958.db2.gz HSZGGODLBMEQBQ-JTQLQIEISA-N 1 1 269.276 1.048 20 5 CDBDMO CCc1nc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)co1 ZINC000819353173 849776500 /nfs/dbraw/zinc/77/65/00/849776500.db2.gz AEPDUWWWHBBQIF-ZDUSSCGKSA-N 1 1 291.307 1.968 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933904107 850447652 /nfs/dbraw/zinc/44/76/52/850447652.db2.gz VIGKOEFDUJIQLG-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933904107 850447661 /nfs/dbraw/zinc/44/76/61/850447661.db2.gz VIGKOEFDUJIQLG-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO CC(=O)Nc1ccc(N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278782 895032870 /nfs/dbraw/zinc/03/28/70/895032870.db2.gz RUHMJSFVWVXJDM-NSHDSACASA-N 1 1 278.312 1.669 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167362118 895437522 /nfs/dbraw/zinc/43/75/22/895437522.db2.gz NZZBDRXXRJOZRW-UHFFFAOYSA-N 1 1 295.302 1.872 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226186378 905018742 /nfs/dbraw/zinc/01/87/42/905018742.db2.gz BUAHPEAMQDEYQH-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226751716 905567546 /nfs/dbraw/zinc/56/75/46/905567546.db2.gz PVQDQGPDPIEJDO-VIFPVBQESA-N 1 1 278.243 1.719 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000822124001 907732856 /nfs/dbraw/zinc/73/28/56/907732856.db2.gz HWHRTUNGSFJXAW-MRVPVSSYSA-N 1 1 285.735 1.934 20 5 CDBDMO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001126936694 909939068 /nfs/dbraw/zinc/93/90/68/909939068.db2.gz QXNVHULKDWXTCV-ZIAGYGMSSA-N 1 1 291.351 1.174 20 5 CDBDMO CC[C@](N)(CO)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904301 912039523 /nfs/dbraw/zinc/03/95/23/912039523.db2.gz WURFJKGUFHUHFN-DZGCQCFKSA-N 1 1 293.367 1.489 20 5 CDBDMO COC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974528 927596449 /nfs/dbraw/zinc/59/64/49/927596449.db2.gz RIHMJJCZDWQVKG-AXFHLTTASA-N 1 1 290.385 1.316 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169006952 927611079 /nfs/dbraw/zinc/61/10/79/927611079.db2.gz KOLVKFYOMRLKSJ-AAVRWANBSA-N 1 1 270.373 1.915 20 5 CDBDMO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007302 927611712 /nfs/dbraw/zinc/61/17/12/927611712.db2.gz MLGDHNMGUJGRHN-JQWIXIFHSA-N 1 1 299.371 1.641 20 5 CDBDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010248 927613631 /nfs/dbraw/zinc/61/36/31/927613631.db2.gz BSRCZECEYYJWGV-XQHKEYJVSA-N 1 1 284.356 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3ncncc3C2)C1 ZINC001169038283 927650811 /nfs/dbraw/zinc/65/08/11/927650811.db2.gz XROUDOBYJWQGBJ-PWSUYJOCSA-N 1 1 262.313 1.280 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056332 927673256 /nfs/dbraw/zinc/67/32/56/927673256.db2.gz RVJXZZXNDGCNCA-NJMOYASZSA-N 1 1 282.340 1.458 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170857075 930460366 /nfs/dbraw/zinc/46/03/66/930460366.db2.gz HTECXSBCHMTFTN-LBPRGKRZSA-N 1 1 277.284 1.007 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170897996 930693240 /nfs/dbraw/zinc/69/32/40/930693240.db2.gz AOZHWGMBQLOGLR-MRVPVSSYSA-N 1 1 259.697 1.079 20 5 CDBDMO COc1ncc([N+](=O)[O-])cc1N[C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001170971645 931092077 /nfs/dbraw/zinc/09/20/77/931092077.db2.gz JXWRCDYOYZDPFO-AXFHLTTASA-N 1 1 292.339 1.893 20 5 CDBDMO COc1ccc(NC(=O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000821823138 931098889 /nfs/dbraw/zinc/09/88/89/931098889.db2.gz FXWVTWGGUWVFKY-UHFFFAOYSA-N 1 1 279.296 1.638 20 5 CDBDMO C[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CCC1(C)C ZINC001120867687 937843380 /nfs/dbraw/zinc/84/33/80/937843380.db2.gz IIBXIGCXLCLFLQ-UHFFFAOYSA-N 1 1 279.344 1.493 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157259875 938469933 /nfs/dbraw/zinc/46/99/33/938469933.db2.gz GQOAMDGACZCCCQ-DGCLKSJQSA-N 1 1 276.340 1.829 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001159779649 938751888 /nfs/dbraw/zinc/75/18/88/938751888.db2.gz GXUZFTHQNYUKAY-ZETCQYMHSA-N 1 1 259.697 1.079 20 5 CDBDMO COc1nc(C)nc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001163919645 939352504 /nfs/dbraw/zinc/35/25/04/939352504.db2.gz ILWNPMQLBGKWJQ-UHFFFAOYSA-N 1 1 292.299 1.319 20 5 CDBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CC[N@@H+](C)C1 ZINC001222772494 941632899 /nfs/dbraw/zinc/63/28/99/941632899.db2.gz CZTJODDIEFLMOH-JTQLQIEISA-N 1 1 294.307 1.602 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001225382723 941851770 /nfs/dbraw/zinc/85/17/70/941851770.db2.gz QSUYRFRAKJXNGQ-MCCGJVOXSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001225382723 941851775 /nfs/dbraw/zinc/85/17/75/941851775.db2.gz QSUYRFRAKJXNGQ-MCCGJVOXSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227108099 942133332 /nfs/dbraw/zinc/13/33/32/942133332.db2.gz JXDRSSFTVXMAFS-SNVBAGLBSA-N 1 1 296.283 1.761 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncncc1[N+](=O)[O-] ZINC001228660523 942349671 /nfs/dbraw/zinc/34/96/71/942349671.db2.gz SCGHOVGLCUNEGJ-PEGIJTEDSA-N 1 1 278.312 1.494 20 5 CDBDMO CC[N@@H+]1CCC[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229380295 942461746 /nfs/dbraw/zinc/46/17/46/942461746.db2.gz KLGHCVMQOOBZAS-SECBINFHSA-N 1 1 282.300 1.262 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001229380295 942461749 /nfs/dbraw/zinc/46/17/49/942461749.db2.gz KLGHCVMQOOBZAS-SECBINFHSA-N 1 1 282.300 1.262 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233858009 943674077 /nfs/dbraw/zinc/67/40/77/943674077.db2.gz QVCMRWMRPZBCCD-LLVKDONJSA-N 1 1 251.286 1.851 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ncccn1)C2 ZINC001254567893 947527997 /nfs/dbraw/zinc/52/79/97/947527997.db2.gz QPNABEDWBQBTRR-GFCCVEGCSA-N 1 1 270.292 1.642 20 5 CDBDMO CN1CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572069 947530030 /nfs/dbraw/zinc/53/00/30/947530030.db2.gz HVLUIBPWJQJZNV-FZMZJTMJSA-N 1 1 275.352 1.603 20 5 CDBDMO CN1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254584011 947540338 /nfs/dbraw/zinc/54/03/38/947540338.db2.gz PPFQPLBRSMXYFN-SWLSCSKDSA-N 1 1 289.379 1.993 20 5 CDBDMO CN1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254597156 947547328 /nfs/dbraw/zinc/54/73/28/947547328.db2.gz BHYVVJLEGUVLJJ-CQSZACIVSA-N 1 1 289.335 1.226 20 5 CDBDMO CN1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O ZINC001254597156 947547341 /nfs/dbraw/zinc/54/73/41/947547341.db2.gz BHYVVJLEGUVLJJ-CQSZACIVSA-N 1 1 289.335 1.226 20 5 CDBDMO CO[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599693 947549545 /nfs/dbraw/zinc/54/95/45/947549545.db2.gz OZDCJSYIBZVFNW-MELADBBJSA-N 1 1 280.299 1.731 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599693 947549552 /nfs/dbraw/zinc/54/95/52/947549552.db2.gz OZDCJSYIBZVFNW-MELADBBJSA-N 1 1 280.299 1.731 20 5 CDBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331602658 957162012 /nfs/dbraw/zinc/16/20/12/957162012.db2.gz ZIYRKUFETZLUKG-GHMZBOCLSA-N 1 1 293.323 1.906 20 5 CDBDMO CN(CCCF)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001332136679 957446725 /nfs/dbraw/zinc/44/67/25/957446725.db2.gz TVZYTEJRRQKUNN-ZDUSSCGKSA-N 1 1 283.303 1.587 20 5 CDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335481098 959832700 /nfs/dbraw/zinc/83/27/00/959832700.db2.gz JAGJNAZJASQGQB-RBSFLKMASA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC001335487189 959839345 /nfs/dbraw/zinc/83/93/45/959839345.db2.gz VLFDZVWUPQCRRJ-UKRRQHHQSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC001335487189 959839358 /nfs/dbraw/zinc/83/93/58/959839358.db2.gz VLFDZVWUPQCRRJ-UKRRQHHQSA-N 1 1 277.368 1.763 20 5 CDBDMO CC(C)[N@@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC001341393649 963395719 /nfs/dbraw/zinc/39/57/19/963395719.db2.gz RQALVJZPVVAGKU-ZDUSSCGKSA-N 1 1 282.340 1.413 20 5 CDBDMO O=[N+]([O-])c1sccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000601197453 342489805 /nfs/dbraw/zinc/48/98/05/342489805.db2.gz BBHJCVKUDPSZJR-UHFFFAOYSA-N 1 1 297.380 1.957 20 5 CDBDMO O=[N+]([O-])c1sccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199411 343979213 /nfs/dbraw/zinc/97/92/13/343979213.db2.gz JWVKUNPJSMOZOG-QMMMGPOBSA-N 1 1 257.315 1.135 20 5 CDBDMO C[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083185010 342093591 /nfs/dbraw/zinc/09/35/91/342093591.db2.gz XWBLHTRXCKSZMV-UHFFFAOYSA-N 1 1 251.242 1.160 20 5 CDBDMO C[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083185010 342093592 /nfs/dbraw/zinc/09/35/92/342093592.db2.gz XWBLHTRXCKSZMV-UHFFFAOYSA-N 1 1 251.242 1.160 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccnc1[N+](=O)[O-] ZINC000591464155 342631262 /nfs/dbraw/zinc/63/12/62/342631262.db2.gz BZSCINMDDSZELM-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248638189 344002766 /nfs/dbraw/zinc/00/27/66/344002766.db2.gz YPQGWSQNBPPRQU-GXTWGEPZSA-N 1 1 296.371 1.807 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000593695202 342824261 /nfs/dbraw/zinc/82/42/61/342824261.db2.gz YNPGHTFCEQPLKT-JTQLQIEISA-N 1 1 298.339 1.815 20 5 CDBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138255464 361979508 /nfs/dbraw/zinc/97/95/08/361979508.db2.gz HHXRERKSLXBXAN-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138255464 361979517 /nfs/dbraw/zinc/97/95/17/361979517.db2.gz HHXRERKSLXBXAN-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138255569 361980415 /nfs/dbraw/zinc/98/04/15/361980415.db2.gz HHXRERKSLXBXAN-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138255569 361980420 /nfs/dbraw/zinc/98/04/20/361980420.db2.gz HHXRERKSLXBXAN-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000588823555 342222474 /nfs/dbraw/zinc/22/24/74/342222474.db2.gz CPOZATYEGLBASM-GXSJLCMTSA-N 1 1 297.359 1.251 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000588823555 342222475 /nfs/dbraw/zinc/22/24/75/342222475.db2.gz CPOZATYEGLBASM-GXSJLCMTSA-N 1 1 297.359 1.251 20 5 CDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142070517 342236758 /nfs/dbraw/zinc/23/67/58/342236758.db2.gz XQSYDSHPJRPKSH-GFCCVEGCSA-N 1 1 289.335 1.905 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000619522856 349788743 /nfs/dbraw/zinc/78/87/43/349788743.db2.gz KNELVCFCBSGFQW-SNVBAGLBSA-N 1 1 280.328 1.147 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595730028 343141130 /nfs/dbraw/zinc/14/11/30/343141130.db2.gz ZIOCHRCQELCBLV-DGCLKSJQSA-N 1 1 289.335 1.695 20 5 CDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596107036 343228849 /nfs/dbraw/zinc/22/88/49/343228849.db2.gz BYFFCANYLFWDQL-UHFFFAOYSA-N 1 1 292.339 1.590 20 5 CDBDMO CNC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654661 343372338 /nfs/dbraw/zinc/37/23/38/343372338.db2.gz LHSUXDJNTNNSMF-SRVKXCTJSA-N 1 1 281.360 1.473 20 5 CDBDMO O=C(CC[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000026159769 343352759 /nfs/dbraw/zinc/35/27/59/343352759.db2.gz UANIMCOBDVQSSS-UHFFFAOYSA-N 1 1 279.296 1.256 20 5 CDBDMO O=C(CC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026159804 343353324 /nfs/dbraw/zinc/35/33/24/343353324.db2.gz MAMMIYUDRJSGBL-UHFFFAOYSA-N 1 1 279.296 1.256 20 5 CDBDMO CC(C)[NH+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000126752286 187259700 /nfs/dbraw/zinc/25/97/00/187259700.db2.gz UPKOBIRZHCAXAA-UHFFFAOYSA-N 1 1 297.359 1.557 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645196 344211563 /nfs/dbraw/zinc/21/15/63/344211563.db2.gz UYKAGYYZLZHQGC-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN(C)C ZINC000602656730 344518224 /nfs/dbraw/zinc/51/82/24/344518224.db2.gz LZIOETCXBNKDJO-UHFFFAOYSA-N 1 1 295.383 1.647 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1CCOCC1 ZINC000602799812 344589916 /nfs/dbraw/zinc/58/99/16/344589916.db2.gz UURPKFPEVJGMCY-UHFFFAOYSA-N 1 1 282.344 1.458 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344204930 362555281 /nfs/dbraw/zinc/55/52/81/362555281.db2.gz BOQFAHHSBDEAOL-UHFFFAOYSA-N 1 1 295.314 1.948 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000293407809 362558220 /nfs/dbraw/zinc/55/82/20/362558220.db2.gz MFVDVFAZYYRIIW-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000293407809 362558227 /nfs/dbraw/zinc/55/82/27/362558227.db2.gz MFVDVFAZYYRIIW-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000052153772 345232338 /nfs/dbraw/zinc/23/23/38/345232338.db2.gz PQDQNKRDRYTYKK-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454911 345544908 /nfs/dbraw/zinc/54/49/08/345544908.db2.gz NFBOEUOKSRIADV-AAEUAGOBSA-N 1 1 276.340 1.910 20 5 CDBDMO CCNC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000101589487 345989107 /nfs/dbraw/zinc/98/91/07/345989107.db2.gz DCNNOZVVWJWBJH-UHFFFAOYSA-N 1 1 281.312 1.219 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccsc1 ZINC000610447507 346284204 /nfs/dbraw/zinc/28/42/04/346284204.db2.gz YDQQNJRWCQYDCV-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611084616 346603029 /nfs/dbraw/zinc/60/30/29/346603029.db2.gz HJIWDLBYLJNMTM-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152837837 347622215 /nfs/dbraw/zinc/62/22/15/347622215.db2.gz NOLQJIRJLQMGNY-TXEJJXNPSA-N 1 1 289.335 1.926 20 5 CDBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000090794952 348157070 /nfs/dbraw/zinc/15/70/70/348157070.db2.gz DNLUGODZACHQSO-RKDXNWHRSA-N 1 1 253.306 1.223 20 5 CDBDMO Cc1ccc(C[N@@H+](CC(N)=O)CC(C)C)cc1[N+](=O)[O-] ZINC000092011332 180306598 /nfs/dbraw/zinc/30/65/98/180306598.db2.gz CBXHMZIKICVXFI-UHFFFAOYSA-N 1 1 279.340 1.847 20 5 CDBDMO Cc1ccc(C[N@H+](CC(N)=O)CC(C)C)cc1[N+](=O)[O-] ZINC000092011332 180306599 /nfs/dbraw/zinc/30/65/99/180306599.db2.gz CBXHMZIKICVXFI-UHFFFAOYSA-N 1 1 279.340 1.847 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105821518 186073930 /nfs/dbraw/zinc/07/39/30/186073930.db2.gz GUWJGRATUCMPAO-QWHCGFSZSA-N 1 1 293.367 1.482 20 5 CDBDMO O=[N+]([O-])c1ccc(SCC[N@H+]2CCCOCC2)nc1 ZINC000413001051 363054562 /nfs/dbraw/zinc/05/45/62/363054562.db2.gz PCDRYKOQWOWMCR-UHFFFAOYSA-N 1 1 283.353 1.804 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000154893314 188168396 /nfs/dbraw/zinc/16/83/96/188168396.db2.gz IHHKLKTVMSRVTN-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157305711 188309193 /nfs/dbraw/zinc/30/91/93/188309193.db2.gz RNQRBSJJUFHTPO-JTQLQIEISA-N 1 1 292.339 1.391 20 5 CDBDMO Cc1c(CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000158078921 188355973 /nfs/dbraw/zinc/35/59/73/188355973.db2.gz JLMGEFVDYLGQRV-UHFFFAOYSA-N 1 1 277.324 1.220 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)C(C)(C)C ZINC000134396527 356235982 /nfs/dbraw/zinc/23/59/82/356235982.db2.gz FKMGECVTTZPLGU-JTQLQIEISA-N 1 1 270.333 1.130 20 5 CDBDMO CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286204285 356231385 /nfs/dbraw/zinc/23/13/85/356231385.db2.gz BYNYHTSRCUQBOO-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CN1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000572852594 357028322 /nfs/dbraw/zinc/02/83/22/357028322.db2.gz HPJWXFKLWHWTPR-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO CN1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000572852594 357028323 /nfs/dbraw/zinc/02/83/23/357028323.db2.gz HPJWXFKLWHWTPR-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO C[N@H+](C[C@H](O)CNCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118378 357396857 /nfs/dbraw/zinc/39/68/57/357396857.db2.gz UZTPPNVCBMEJDE-CQSZACIVSA-N 1 1 293.367 1.182 20 5 CDBDMO C[N@@H+](C[C@H](O)CNCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118378 357396863 /nfs/dbraw/zinc/39/68/63/357396863.db2.gz UZTPPNVCBMEJDE-CQSZACIVSA-N 1 1 293.367 1.182 20 5 CDBDMO CCCC[N@@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000182129331 357411088 /nfs/dbraw/zinc/41/10/88/357411088.db2.gz CNWCKZIZRJREHV-UHFFFAOYSA-N 1 1 270.333 1.276 20 5 CDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncccc1[N+](=O)[O-] ZINC000264602092 357442466 /nfs/dbraw/zinc/44/24/66/357442466.db2.gz BZGJJLXNJGXEJK-UHFFFAOYSA-N 1 1 293.371 1.064 20 5 CDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000264559729 357379274 /nfs/dbraw/zinc/37/92/74/357379274.db2.gz NCDHLMVINOROGH-SECBINFHSA-N 1 1 295.343 1.094 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408067654 357802056 /nfs/dbraw/zinc/80/20/56/357802056.db2.gz DIBKUOCFPOPUFP-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408067654 357802060 /nfs/dbraw/zinc/80/20/60/357802060.db2.gz DIBKUOCFPOPUFP-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433812946 358844807 /nfs/dbraw/zinc/84/48/07/358844807.db2.gz XTLYDUFCQFWDRE-NSHDSACASA-N 1 1 279.344 1.757 20 5 CDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000105790763 358986931 /nfs/dbraw/zinc/98/69/31/358986931.db2.gz WQTZKFIWHRWIFD-VXGBXAGGSA-N 1 1 294.355 1.271 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)C1 ZINC000265072181 359095426 /nfs/dbraw/zinc/09/54/26/359095426.db2.gz WWXBNGOHZQIDFL-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000054128503 359159502 /nfs/dbraw/zinc/15/95/02/359159502.db2.gz KPJQFWCSUHNRBC-UHFFFAOYSA-N 1 1 280.328 1.446 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000050116734 359309353 /nfs/dbraw/zinc/30/93/53/359309353.db2.gz AYPAKLVJPGEDHS-ZDUSSCGKSA-N 1 1 250.298 1.594 20 5 CDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@@H](O)C1)C2 ZINC000571990565 359704946 /nfs/dbraw/zinc/70/49/46/359704946.db2.gz RQJPMRRIPJVSRT-KLPPZKSPSA-N 1 1 262.309 1.724 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000351794658 359835549 /nfs/dbraw/zinc/83/55/49/359835549.db2.gz FGKOJNBXVLNQLB-SKDRFNHKSA-N 1 1 266.297 1.416 20 5 CDBDMO Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358356438 360976835 /nfs/dbraw/zinc/97/68/35/360976835.db2.gz REYWWDIGBCRWRL-ZDUSSCGKSA-N 1 1 265.313 1.382 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000180191102 189242844 /nfs/dbraw/zinc/24/28/44/189242844.db2.gz MMWAUOXXZYKRNB-CQSZACIVSA-N 1 1 296.323 1.569 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000180191102 189242845 /nfs/dbraw/zinc/24/28/45/189242845.db2.gz MMWAUOXXZYKRNB-CQSZACIVSA-N 1 1 296.323 1.569 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000231789384 364090000 /nfs/dbraw/zinc/09/00/00/364090000.db2.gz GUDYHYDAPIUCSL-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000582504432 364101671 /nfs/dbraw/zinc/10/16/71/364101671.db2.gz DNXICWKIBQSRIG-ZDUSSCGKSA-N 1 1 278.312 1.091 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437751 365237989 /nfs/dbraw/zinc/23/79/89/365237989.db2.gz IFVOUKAZDJMLSK-GXSJLCMTSA-N 1 1 278.312 1.089 20 5 CDBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000270966924 366949400 /nfs/dbraw/zinc/94/94/00/366949400.db2.gz VRHKHWBZTORJBG-CQSZACIVSA-N 1 1 289.335 1.792 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000414500003 241235701 /nfs/dbraw/zinc/23/57/01/241235701.db2.gz KWZFTDBSXXBYBF-UHFFFAOYSA-N 1 1 294.267 1.381 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000414655352 241303103 /nfs/dbraw/zinc/30/31/03/241303103.db2.gz HCFLTEHIBQUNAL-UHFFFAOYSA-N 1 1 288.254 1.619 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582631 203000548 /nfs/dbraw/zinc/00/05/48/203000548.db2.gz KAZKGVDRCMWGIR-STQMWFEESA-N 1 1 293.367 1.998 20 5 CDBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000420340231 244111197 /nfs/dbraw/zinc/11/11/97/244111197.db2.gz SZVNCVUHYCFSSL-UHFFFAOYSA-N 1 1 265.313 1.395 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330906798 203378310 /nfs/dbraw/zinc/37/83/10/203378310.db2.gz NOGQNNIYBHVNRB-ZYHUDNBSSA-N 1 1 277.324 1.807 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992585 371297917 /nfs/dbraw/zinc/29/79/17/371297917.db2.gz DNKTWYYRIWBADL-LLVKDONJSA-N 1 1 263.297 1.292 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1[C@@H]1CCCO1 ZINC000368073290 371507029 /nfs/dbraw/zinc/50/70/29/371507029.db2.gz KZUAHTBWFLRMDF-WCQYABFASA-N 1 1 294.355 1.681 20 5 CDBDMO Cc1cnc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248298 371742580 /nfs/dbraw/zinc/74/25/80/371742580.db2.gz ZLKNPHZDGHYKME-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248298 371742583 /nfs/dbraw/zinc/74/25/83/371742583.db2.gz ZLKNPHZDGHYKME-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@@H+](CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000058938205 372828248 /nfs/dbraw/zinc/82/82/48/372828248.db2.gz PEUNDMKAFITUBV-UHFFFAOYSA-N 1 1 278.312 1.200 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000177984026 372937419 /nfs/dbraw/zinc/93/74/19/372937419.db2.gz SPUCGEGOAUHUHC-AWEZNQCLSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000177984026 372937428 /nfs/dbraw/zinc/93/74/28/372937428.db2.gz SPUCGEGOAUHUHC-AWEZNQCLSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CCO)C1 ZINC000051916396 374043466 /nfs/dbraw/zinc/04/34/66/374043466.db2.gz SFMZGTAFPVHWTF-GFCCVEGCSA-N 1 1 282.344 1.194 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065223061 374257522 /nfs/dbraw/zinc/25/75/22/374257522.db2.gz RONDMWFAZMJOSW-LLVKDONJSA-N 1 1 296.323 1.715 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002165 374294251 /nfs/dbraw/zinc/29/42/51/374294251.db2.gz JVZNTQJFZYBTDQ-MWLCHTKSSA-N 1 1 278.312 1.280 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000371309575 374414233 /nfs/dbraw/zinc/41/42/33/374414233.db2.gz YLPDGVXCYCKJDA-LLVKDONJSA-N 1 1 250.302 1.523 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000374348432 374484735 /nfs/dbraw/zinc/48/47/35/374484735.db2.gz GAOXOXVNEUEPPL-JTQLQIEISA-N 1 1 273.296 1.717 20 5 CDBDMO Cn1[n-]c(CNC(C)(C)c2ccccc2[N+](=O)[O-])nc1=O ZINC000429238032 374575031 /nfs/dbraw/zinc/57/50/31/374575031.db2.gz QGNSLLWFJJOIRH-UHFFFAOYSA-N 1 1 291.311 1.042 20 5 CDBDMO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154766824 374747327 /nfs/dbraw/zinc/74/73/27/374747327.db2.gz KBHOOURRFCDWEG-RNCFNFMXSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154766824 374747336 /nfs/dbraw/zinc/74/73/36/374747336.db2.gz KBHOOURRFCDWEG-RNCFNFMXSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330571927 374865967 /nfs/dbraw/zinc/86/59/67/374865967.db2.gz DFQQCMJQDHVNAP-RYUDHWBXSA-N 1 1 291.351 1.688 20 5 CDBDMO COc1c(C(=O)N2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331036536 374881555 /nfs/dbraw/zinc/88/15/55/374881555.db2.gz ADDYVDULTSIISN-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331036536 374881563 /nfs/dbraw/zinc/88/15/63/374881563.db2.gz ADDYVDULTSIISN-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000330520951 374860451 /nfs/dbraw/zinc/86/04/51/374860451.db2.gz LGEXBEJWQXHFIZ-UHFFFAOYSA-N 1 1 295.343 1.040 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000330520951 374860456 /nfs/dbraw/zinc/86/04/56/374860456.db2.gz LGEXBEJWQXHFIZ-UHFFFAOYSA-N 1 1 295.343 1.040 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490638 374998945 /nfs/dbraw/zinc/99/89/45/374998945.db2.gz BFUZUXZLXALRMR-AWEZNQCLSA-N 1 1 293.323 1.171 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000280677921 375012583 /nfs/dbraw/zinc/01/25/83/375012583.db2.gz FPNPTCDRFCKOBT-OAHLLOKOSA-N 1 1 291.351 1.595 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000332370767 375028388 /nfs/dbraw/zinc/02/83/88/375028388.db2.gz YVZODQZLQPLTGT-UHFFFAOYSA-N 1 1 280.328 1.527 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000282379676 375082685 /nfs/dbraw/zinc/08/26/85/375082685.db2.gz FWFDEGOPIRHWKZ-UHFFFAOYSA-N 1 1 293.367 1.401 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000351957613 375344474 /nfs/dbraw/zinc/34/44/74/375344474.db2.gz HEEDIWVGQZBNMH-ZANVPECISA-N 1 1 294.307 1.274 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000351957613 375344482 /nfs/dbraw/zinc/34/44/82/375344482.db2.gz HEEDIWVGQZBNMH-ZANVPECISA-N 1 1 294.307 1.274 20 5 CDBDMO CC[N@H+]1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331044 375444291 /nfs/dbraw/zinc/44/42/91/375444291.db2.gz FZYBADACXRTDNA-KTRBRXNASA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132328006 375454515 /nfs/dbraw/zinc/45/45/15/375454515.db2.gz AWUZRNJQCRRSEM-JTQLQIEISA-N 1 1 251.286 1.241 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832389 375529188 /nfs/dbraw/zinc/52/91/88/375529188.db2.gz PKNWJLLCEFBBAW-PWSUYJOCSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877933 375548095 /nfs/dbraw/zinc/54/80/95/375548095.db2.gz RBMBKEHHWDIVJZ-STQMWFEESA-N 1 1 296.371 1.807 20 5 CDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000294059420 375662994 /nfs/dbraw/zinc/66/29/94/375662994.db2.gz UWLPTMLQNYWJKO-DTORHVGOSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000294059420 375662997 /nfs/dbraw/zinc/66/29/97/375662997.db2.gz UWLPTMLQNYWJKO-DTORHVGOSA-N 1 1 283.353 1.821 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188219931 375643317 /nfs/dbraw/zinc/64/33/17/375643317.db2.gz MYCFEXJSKLXUSX-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000354524796 375721086 /nfs/dbraw/zinc/72/10/86/375721086.db2.gz CMTSIESBRMEMNC-GFCCVEGCSA-N 1 1 295.343 1.154 20 5 CDBDMO CC(C)(C)[NH2+]CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428030175 247231751 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CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC ZINC000449780376 251016164 /nfs/dbraw/zinc/01/61/64/251016164.db2.gz VDDZUEDFNRPQBW-LLVKDONJSA-N 1 1 285.731 1.862 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2COCCO2)C2CC2)cc1 ZINC000450651121 251390230 /nfs/dbraw/zinc/39/02/30/251390230.db2.gz RQQKQFFLWTWFEL-OAHLLOKOSA-N 1 1 292.335 1.975 20 5 CDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363446103 285077038 /nfs/dbraw/zinc/07/70/38/285077038.db2.gz GGYBDSRMZKSIPC-LLVKDONJSA-N 1 1 295.314 1.645 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN(C)CC[NH+](C)C ZINC000289128926 197241987 /nfs/dbraw/zinc/24/19/87/197241987.db2.gz RIQNOAAAICEHHS-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+](C)CCN(C)C ZINC000289128926 197241985 /nfs/dbraw/zinc/24/19/85/197241985.db2.gz RIQNOAAAICEHHS-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000289031623 197219033 /nfs/dbraw/zinc/21/90/33/197219033.db2.gz OVIJHPKKKYUOLP-UHFFFAOYSA-N 1 1 282.340 1.998 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358311941 390564340 /nfs/dbraw/zinc/56/43/40/390564340.db2.gz AMQVMKGKBOFWSF-NEPJUHHUSA-N 1 1 279.344 1.008 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358311941 390564343 /nfs/dbraw/zinc/56/43/43/390564343.db2.gz AMQVMKGKBOFWSF-NEPJUHHUSA-N 1 1 279.344 1.008 20 5 CDBDMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551348 390629925 /nfs/dbraw/zinc/62/99/25/390629925.db2.gz UKTFPVSGVHPRQU-JQWIXIFHSA-N 1 1 277.324 1.648 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919391 390976528 /nfs/dbraw/zinc/97/65/28/390976528.db2.gz VUMZAYISLGPGEH-DTWKUNHWSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919391 390976529 /nfs/dbraw/zinc/97/65/29/390976529.db2.gz VUMZAYISLGPGEH-DTWKUNHWSA-N 1 1 254.261 1.689 20 5 CDBDMO 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COc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000195442040 393215467 /nfs/dbraw/zinc/21/54/67/393215467.db2.gz DBZQAUKUYCCCMR-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO Cc1c(CNC(=O)[C@H]2CSC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856569 140220043 /nfs/dbraw/zinc/22/00/43/140220043.db2.gz OTNMPBRYQLAMPO-SNVBAGLBSA-N 1 1 281.337 1.182 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249529657 140295386 /nfs/dbraw/zinc/29/53/86/140295386.db2.gz ZVEBGXDEZJUREW-STQMWFEESA-N 1 1 293.367 1.482 20 5 CDBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286865 148033993 /nfs/dbraw/zinc/03/39/93/148033993.db2.gz LACHCSMGLCKJRI-BXUZGUMPSA-N 1 1 296.371 1.927 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352658901 155327586 /nfs/dbraw/zinc/32/75/86/155327586.db2.gz KWGFSHSNTMVXFP-UONOGXRCSA-N 1 1 280.324 1.819 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007134 153022739 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1 1 289.335 1.805 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359285872 158199185 /nfs/dbraw/zinc/19/91/85/158199185.db2.gz IQBBVWUXRZOORC-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)CC2CCCCC2)n1 ZINC000362594736 159190148 /nfs/dbraw/zinc/19/01/48/159190148.db2.gz WJKGZPVNUHRHLR-UHFFFAOYSA-N 1 1 296.371 1.666 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007619 159289344 /nfs/dbraw/zinc/28/93/44/159289344.db2.gz LLCDZANLYLKSAE-VHSXEESVSA-N 1 1 279.296 1.544 20 5 CDBDMO CN(C)C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285317680 196249829 /nfs/dbraw/zinc/24/98/29/196249829.db2.gz MQBMHVNIRAQVHD-UHFFFAOYSA-N 1 1 279.340 1.547 20 5 CDBDMO CC(C)OC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285300637 196245730 /nfs/dbraw/zinc/24/57/30/196245730.db2.gz LDENPWLUBFDKOZ-AWEZNQCLSA-N 1 1 296.367 1.855 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429571997 274317502 /nfs/dbraw/zinc/31/75/02/274317502.db2.gz YJKJPVNVICOMRJ-NEPJUHHUSA-N 1 1 279.340 1.877 20 5 CDBDMO Cc1cnc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489914625 274827061 /nfs/dbraw/zinc/82/70/61/274827061.db2.gz NHTZSURGCUAUGC-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000173483623 278270087 /nfs/dbraw/zinc/27/00/87/278270087.db2.gz ICTGMEZSUPCSEI-NSHDSACASA-N 1 1 291.351 1.736 20 5 CDBDMO Cc1nc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000357548513 280181585 /nfs/dbraw/zinc/18/15/85/280181585.db2.gz NYRPDBABXXIMQG-JTQLQIEISA-N 1 1 266.345 1.861 20 5 CDBDMO Cn1cc[nH+]c1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000158474970 289309419 /nfs/dbraw/zinc/30/94/19/289309419.db2.gz CFQWMFGKMGJATA-UHFFFAOYSA-N 1 1 274.236 1.285 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362446925 303019632 /nfs/dbraw/zinc/01/96/32/303019632.db2.gz IVDNAZICKNRTNR-QWRGUYRKSA-N 1 1 280.328 1.329 20 5 CDBDMO CCc1nn(C)c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000577186616 317281433 /nfs/dbraw/zinc/28/14/33/317281433.db2.gz PWMZOJPMKMIQAJ-GXSJLCMTSA-N 1 1 279.344 1.031 20 5 CDBDMO C[C@@H]1CCNC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580816 324221459 /nfs/dbraw/zinc/22/14/59/324221459.db2.gz MYMWKTWHTXKUCZ-BXUZGUMPSA-N 1 1 279.340 1.561 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CNC1)C1CC1 ZINC000583558712 325198001 /nfs/dbraw/zinc/19/80/01/325198001.db2.gz QYCINUGOPOOMGB-ZDUSSCGKSA-N 1 1 261.325 1.477 20 5 CDBDMO CC(C)(C)NC(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111158419 518733747 /nfs/dbraw/zinc/73/37/47/518733747.db2.gz TXNWYKGLNYGNAW-UHFFFAOYSA-N 1 1 271.342 1.661 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759772 523826267 /nfs/dbraw/zinc/82/62/67/523826267.db2.gz YCIYLWUGUJVYFO-GFCCVEGCSA-N 1 1 278.312 1.811 20 5 CDBDMO C[NH2+][C@H](C)Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000414638479 536405205 /nfs/dbraw/zinc/40/52/05/536405205.db2.gz DDORSYOHWPWOLZ-SSDOTTSWSA-N 1 1 278.268 1.501 20 5 CDBDMO COc1cc(CN[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000729681620 574820434 /nfs/dbraw/zinc/82/04/34/574820434.db2.gz FPRLFYHMIATBDJ-LLVKDONJSA-N 1 1 295.339 1.406 20 5 CDBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000729681620 574820435 /nfs/dbraw/zinc/82/04/35/574820435.db2.gz FPRLFYHMIATBDJ-LLVKDONJSA-N 1 1 295.339 1.406 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406234 576638762 /nfs/dbraw/zinc/63/87/62/576638762.db2.gz SQLVJAUFLFKVNB-UHFFFAOYSA-N 1 1 266.301 1.251 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000743406234 576638764 /nfs/dbraw/zinc/63/87/64/576638764.db2.gz SQLVJAUFLFKVNB-UHFFFAOYSA-N 1 1 266.301 1.251 20 5 CDBDMO Cc1nn(C[N@@H+]2CCCOCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764942867 575966812 /nfs/dbraw/zinc/96/68/12/575966812.db2.gz AVNPXLZYZAYQOL-UHFFFAOYSA-N 1 1 290.323 1.933 20 5 CDBDMO Cc1nn(C[N@H+]2CCCOCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764942867 575966814 /nfs/dbraw/zinc/96/68/14/575966814.db2.gz AVNPXLZYZAYQOL-UHFFFAOYSA-N 1 1 290.323 1.933 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000742195847 575991828 /nfs/dbraw/zinc/99/18/28/575991828.db2.gz LCQXTEJPZMKDDP-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000742195847 575991830 /nfs/dbraw/zinc/99/18/30/575991830.db2.gz LCQXTEJPZMKDDP-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000748345151 576906286 /nfs/dbraw/zinc/90/62/86/576906286.db2.gz KICFMTWHIBCPKB-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000748345151 576906287 /nfs/dbraw/zinc/90/62/87/576906287.db2.gz KICFMTWHIBCPKB-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO COC(C)(C)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095135 576975631 /nfs/dbraw/zinc/97/56/31/576975631.db2.gz UTFDKTPPAQARBQ-ZDUSSCGKSA-N 1 1 282.340 1.985 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000891718396 617553283 /nfs/dbraw/zinc/55/32/83/617553283.db2.gz LNNPYKHCAZGWFO-UHFFFAOYSA-N 1 1 290.327 1.516 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CCn3cc[nH+]c32)cc1 ZINC000931521035 618000646 /nfs/dbraw/zinc/00/06/46/618000646.db2.gz CLAKLHGWBZJHFK-LBPRGKRZSA-N 1 1 274.280 1.345 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000893871295 618113556 /nfs/dbraw/zinc/11/35/56/618113556.db2.gz JENKVCTWVWDNLF-BMWLXYDHSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675223 618824331 /nfs/dbraw/zinc/82/43/31/618824331.db2.gz VAJFHQLAIJDRLD-QJPTWQEYSA-N 1 1 270.329 1.458 20 5 CDBDMO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840675223 618824334 /nfs/dbraw/zinc/82/43/34/618824334.db2.gz VAJFHQLAIJDRLD-QJPTWQEYSA-N 1 1 270.329 1.458 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840675223 618824335 /nfs/dbraw/zinc/82/43/35/618824335.db2.gz VAJFHQLAIJDRLD-QJPTWQEYSA-N 1 1 270.329 1.458 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247113 619493152 /nfs/dbraw/zinc/49/31/52/619493152.db2.gz SXJAIUKYWSRQNI-BDAKNGLRSA-N 1 1 285.373 1.098 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895247113 619493155 /nfs/dbraw/zinc/49/31/55/619493155.db2.gz SXJAIUKYWSRQNI-BDAKNGLRSA-N 1 1 285.373 1.098 20 5 CDBDMO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247134 619493840 /nfs/dbraw/zinc/49/38/40/619493840.db2.gz TUDRQTSDXFYBAW-GWCFXTLKSA-N 1 1 296.346 1.780 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000897684798 621073081 /nfs/dbraw/zinc/07/30/81/621073081.db2.gz WXDYFCGMQXUSPT-SKDRFNHKSA-N 1 1 294.307 1.179 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000897684798 621073083 /nfs/dbraw/zinc/07/30/83/621073083.db2.gz WXDYFCGMQXUSPT-SKDRFNHKSA-N 1 1 294.307 1.179 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000905160701 626640585 /nfs/dbraw/zinc/64/05/85/626640585.db2.gz PZKRMVFBMZEBMB-UHFFFAOYSA-N 1 1 290.222 1.383 20 5 CDBDMO C[C@H]1C[C@H](NCC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905162428 626673160 /nfs/dbraw/zinc/67/31/60/626673160.db2.gz ZLWUAUDBVCJMFP-JSGCOSHPSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CN1Cc1ccccc1 ZINC000905162428 626673162 /nfs/dbraw/zinc/67/31/62/626673162.db2.gz ZLWUAUDBVCJMFP-JSGCOSHPSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@@H]1CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971446 627061284 /nfs/dbraw/zinc/06/12/84/627061284.db2.gz BKIQQPBIZSJTCQ-PWSUYJOCSA-N 1 1 266.297 1.429 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000908277646 628106757 /nfs/dbraw/zinc/10/67/57/628106757.db2.gz CMYLLGKZVSMIEW-SECBINFHSA-N 1 1 281.312 1.882 20 5 CDBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156447766 630557019 /nfs/dbraw/zinc/55/70/19/630557019.db2.gz BABTWVXPSDULDD-NWDGAFQWSA-N 1 1 282.344 1.884 20 5 CDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156447766 630557023 /nfs/dbraw/zinc/55/70/23/630557023.db2.gz BABTWVXPSDULDD-NWDGAFQWSA-N 1 1 282.344 1.884 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001167275576 1158554900 /nfs/dbraw/zinc/55/49/00/1158554900.db2.gz SMPLUAPUWDNTHP-JTQLQIEISA-N 1 1 273.296 1.654 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1-n1cnc(C[NH3+])cc1=N ZINC001167358209 1158637056 /nfs/dbraw/zinc/63/70/56/1158637056.db2.gz LSVVWLCRXMTASA-UHFFFAOYSA-N 1 1 289.295 1.117 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000861386070 705447674 /nfs/dbraw/zinc/44/76/74/705447674.db2.gz JQXHSFPOOZVCNK-UHFFFAOYSA-N 1 1 294.263 1.186 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000882494296 705552608 /nfs/dbraw/zinc/55/26/08/705552608.db2.gz IQUBXXDLICGHJJ-LBPRGKRZSA-N 1 1 295.314 1.487 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173497548 705554479 /nfs/dbraw/zinc/55/44/79/705554479.db2.gz DSZFLLBRCCMCLC-LLVKDONJSA-N 1 1 267.333 1.022 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008304 705646266 /nfs/dbraw/zinc/64/62/66/705646266.db2.gz WIRSYPYQWGCLSK-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@@H](C)N(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008304 705646273 /nfs/dbraw/zinc/64/62/73/705646273.db2.gz WIRSYPYQWGCLSK-DOMZBBRYSA-N 1 1 295.383 1.948 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832220529 705665221 /nfs/dbraw/zinc/66/52/21/705665221.db2.gz YQBWXVYATQARSI-LLVKDONJSA-N 1 1 273.377 1.667 20 5 CDBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000819390915 705745079 /nfs/dbraw/zinc/74/50/79/705745079.db2.gz XDQBTPRGRYXISR-GWCFXTLKSA-N 1 1 267.329 1.168 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000054128340 705836125 /nfs/dbraw/zinc/83/61/25/705836125.db2.gz MYRWCHJBQVWDRD-UHFFFAOYSA-N 1 1 279.300 1.883 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000886300307 705909472 /nfs/dbraw/zinc/90/94/72/705909472.db2.gz FHYPVTKARYPKOT-JGZJWPJOSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000931464169 705987808 /nfs/dbraw/zinc/98/78/08/705987808.db2.gz JTKSOBDFPSZCQX-UWVGGRQHSA-N 1 1 273.333 1.251 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000931464169 705987813 /nfs/dbraw/zinc/98/78/13/705987813.db2.gz JTKSOBDFPSZCQX-UWVGGRQHSA-N 1 1 273.333 1.251 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c(F)c1 ZINC000719108886 705998689 /nfs/dbraw/zinc/99/86/89/705998689.db2.gz LZHRJIACUGIDIJ-NSHDSACASA-N 1 1 296.298 1.929 20 5 CDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000776591236 706077160 /nfs/dbraw/zinc/07/71/60/706077160.db2.gz HUVOHKUZNDQVIW-ZIAGYGMSSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000852702188 706098757 /nfs/dbraw/zinc/09/87/57/706098757.db2.gz HXLGALBLARMVQO-DFBGVHRSSA-N 1 1 294.351 1.579 20 5 CDBDMO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886916301 706120432 /nfs/dbraw/zinc/12/04/32/706120432.db2.gz RRUZYABVBKZWKO-QWRGUYRKSA-N 1 1 299.327 1.422 20 5 CDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880296679 709806007 /nfs/dbraw/zinc/80/60/07/709806007.db2.gz CTWILESAVCJWCR-NSHDSACASA-N 1 1 295.314 1.849 20 5 CDBDMO CN(C(=O)C[N@H+]1CC[C@@H](CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880296679 709806008 /nfs/dbraw/zinc/80/60/08/709806008.db2.gz CTWILESAVCJWCR-NSHDSACASA-N 1 1 295.314 1.849 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000886217817 709897294 /nfs/dbraw/zinc/89/72/94/709897294.db2.gz IEXDLANBJCGUQV-GFCCVEGCSA-N 1 1 277.324 1.869 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[S@](C)=O ZINC000829515713 710000496 /nfs/dbraw/zinc/00/04/96/710000496.db2.gz FIVVLCLDGQOUEQ-SFHVURJKSA-N 1 1 270.354 1.448 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881904988 710013178 /nfs/dbraw/zinc/01/31/78/710013178.db2.gz POMGRJAAYDDNEV-UHFFFAOYSA-N 1 1 256.281 1.881 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809785614 710276681 /nfs/dbraw/zinc/27/66/81/710276681.db2.gz WUWMNXMTNKLCND-SNVBAGLBSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000776583315 710281074 /nfs/dbraw/zinc/28/10/74/710281074.db2.gz ZRLXRMWLEOJJLO-SWLSCSKDSA-N 1 1 294.351 1.987 20 5 CDBDMO [NH3+][C@H](CC(F)F)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238481 710294900 /nfs/dbraw/zinc/29/49/00/710294900.db2.gz RVILULWDCJKETQ-SCSAIBSYSA-N 1 1 274.183 1.893 20 5 CDBDMO [NH3+]CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000723678489 710302193 /nfs/dbraw/zinc/30/21/93/710302193.db2.gz UMDCHMIWKUXUTG-JTQLQIEISA-N 1 1 267.304 1.905 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000886300332 710365366 /nfs/dbraw/zinc/36/53/66/710365366.db2.gz FWVOCNPMDSDKDQ-GXTWGEPZSA-N 1 1 277.324 1.584 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000870867337 710446611 /nfs/dbraw/zinc/44/66/11/710446611.db2.gz FHOXSZFXMOWXMP-CYBMUJFWSA-N 1 1 295.364 1.344 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826589346 710478021 /nfs/dbraw/zinc/47/80/21/710478021.db2.gz GXDDVCILKSYTDX-UHFFFAOYSA-N 1 1 273.377 1.670 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000886085915 710498600 /nfs/dbraw/zinc/49/86/00/710498600.db2.gz FDXLNJLVZKMBAW-JTQLQIEISA-N 1 1 253.327 1.927 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000886085915 710498603 /nfs/dbraw/zinc/49/86/03/710498603.db2.gz FDXLNJLVZKMBAW-JTQLQIEISA-N 1 1 253.327 1.927 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1CO ZINC000050114040 710660843 /nfs/dbraw/zinc/66/08/43/710660843.db2.gz ZNVJTQQZRUZZFJ-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CO ZINC000050114040 710660852 /nfs/dbraw/zinc/66/08/52/710660852.db2.gz ZNVJTQQZRUZZFJ-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000843806093 710813035 /nfs/dbraw/zinc/81/30/35/710813035.db2.gz MAVXHPSHNCEIAL-SECBINFHSA-N 1 1 295.314 1.818 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000843806093 710813039 /nfs/dbraw/zinc/81/30/39/710813039.db2.gz MAVXHPSHNCEIAL-SECBINFHSA-N 1 1 295.314 1.818 20 5 CDBDMO C[C@H]([N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020740 711564186 /nfs/dbraw/zinc/56/41/86/711564186.db2.gz VATRUQARXMDXNT-GWCFXTLKSA-N 1 1 282.340 1.719 20 5 CDBDMO CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005380868 711586361 /nfs/dbraw/zinc/58/63/61/711586361.db2.gz HNZFUTQVBJSLCX-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815264 711588274 /nfs/dbraw/zinc/58/82/74/711588274.db2.gz AMRNDKZGWXKQLD-QWRGUYRKSA-N 1 1 281.312 1.892 20 5 CDBDMO CC(C)(O)C[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881906504 711663089 /nfs/dbraw/zinc/66/30/89/711663089.db2.gz RLBNMVSJSGODKE-UHFFFAOYSA-N 1 1 298.318 1.022 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776583579 711710420 /nfs/dbraw/zinc/71/04/20/711710420.db2.gz FWBCXESWGYUCSC-LBPRGKRZSA-N 1 1 268.313 1.331 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092627068 711730694 /nfs/dbraw/zinc/73/06/94/711730694.db2.gz YGLOLQUNJHVHSX-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000929504657 711784184 /nfs/dbraw/zinc/78/41/84/711784184.db2.gz IMYWPRCCWZQTNJ-UHFFFAOYSA-N 1 1 279.340 1.487 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000929504657 711784185 /nfs/dbraw/zinc/78/41/85/711784185.db2.gz IMYWPRCCWZQTNJ-UHFFFAOYSA-N 1 1 279.340 1.487 20 5 CDBDMO CC[C@@H]([NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822635111 711790216 /nfs/dbraw/zinc/79/02/16/711790216.db2.gz PXTJIWRNFKOKRF-SSDOTTSWSA-N 1 1 263.257 1.637 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000817538194 711812853 /nfs/dbraw/zinc/81/28/53/711812853.db2.gz CECSKUPTLBVOIO-LBPRGKRZSA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000817538194 711812854 /nfs/dbraw/zinc/81/28/54/711812854.db2.gz CECSKUPTLBVOIO-LBPRGKRZSA-N 1 1 291.351 1.988 20 5 CDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C12CCC2 ZINC000840138052 711824570 /nfs/dbraw/zinc/82/45/70/711824570.db2.gz CJNKJJOMCGPJPA-OLZOCXBDSA-N 1 1 294.355 1.947 20 5 CDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C12CCC2 ZINC000840138052 711824572 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Cc1noc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388523 343053068 /nfs/dbraw/zinc/05/30/68/343053068.db2.gz GRNQLKBBDACDKM-SNVBAGLBSA-N 1 1 271.317 1.730 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595388523 343053069 /nfs/dbraw/zinc/05/30/69/343053069.db2.gz GRNQLKBBDACDKM-SNVBAGLBSA-N 1 1 271.317 1.730 20 5 CDBDMO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595429141 343057820 /nfs/dbraw/zinc/05/78/20/343057820.db2.gz MADMHCMRJPUSCK-JGVFFNPUSA-N 1 1 285.300 1.569 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343824 343043686 /nfs/dbraw/zinc/04/36/86/343043686.db2.gz FBOPODULXQFQDK-VIFPVBQESA-N 1 1 283.303 1.548 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735400 343135402 /nfs/dbraw/zinc/13/54/02/343135402.db2.gz HBZMNCZIUTZUCH-GFCCVEGCSA-N 1 1 284.287 1.581 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735400 343135403 /nfs/dbraw/zinc/13/54/03/343135403.db2.gz HBZMNCZIUTZUCH-GFCCVEGCSA-N 1 1 284.287 1.581 20 5 CDBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595809674 343160697 /nfs/dbraw/zinc/16/06/97/343160697.db2.gz INCOFJWTGLLTAG-VXGBXAGGSA-N 1 1 289.335 1.899 20 5 CDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595809674 343160699 /nfs/dbraw/zinc/16/06/99/343160699.db2.gz INCOFJWTGLLTAG-VXGBXAGGSA-N 1 1 289.335 1.899 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860138 343173777 /nfs/dbraw/zinc/17/37/77/343173777.db2.gz HYJZBJPGYQQBRE-PELKAZGASA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000595860138 343173779 /nfs/dbraw/zinc/17/37/79/343173779.db2.gz HYJZBJPGYQQBRE-PELKAZGASA-N 1 1 269.301 1.342 20 5 CDBDMO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000596142609 343242296 /nfs/dbraw/zinc/24/22/96/343242296.db2.gz UEVLNKYZAMKDMJ-LLVKDONJSA-N 1 1 292.339 1.224 20 5 CDBDMO C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271041449 529772847 /nfs/dbraw/zinc/77/28/47/529772847.db2.gz NCNNMVLVLAFEGG-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597859708 343648514 /nfs/dbraw/zinc/64/85/14/343648514.db2.gz FZSIALSWNLCZQD-VIFPVBQESA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000597859708 343648515 /nfs/dbraw/zinc/64/85/15/343648515.db2.gz FZSIALSWNLCZQD-VIFPVBQESA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000597859708 343648516 /nfs/dbraw/zinc/64/85/16/343648516.db2.gz FZSIALSWNLCZQD-VIFPVBQESA-N 1 1 295.343 1.168 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342460 343770892 /nfs/dbraw/zinc/77/08/92/343770892.db2.gz ISGBXGLPPFWTCN-LBPRGKRZSA-N 1 1 277.324 1.809 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000173449823 529944219 /nfs/dbraw/zinc/94/42/19/529944219.db2.gz ALOKBIMBOGQUHX-CQSZACIVSA-N 1 1 296.371 1.664 20 5 CDBDMO CCC(O)(CC)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000599673119 344114068 /nfs/dbraw/zinc/11/40/68/344114068.db2.gz KNFYVHCVWSYRKC-UHFFFAOYSA-N 1 1 297.355 1.239 20 5 CDBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621845 344097366 /nfs/dbraw/zinc/09/73/66/344097366.db2.gz HUJQAIJUKVOFBV-VIFPVBQESA-N 1 1 274.271 1.911 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971327 344299982 /nfs/dbraw/zinc/29/99/82/344299982.db2.gz AHOLIJNIEKLCIZ-PHIMTYICSA-N 1 1 266.272 1.812 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000602775612 344578200 /nfs/dbraw/zinc/57/82/00/344578200.db2.gz KIBCSMAJADFHHF-CMPLNLGQSA-N 1 1 282.344 1.335 20 5 CDBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602859721 344616110 /nfs/dbraw/zinc/61/61/10/344616110.db2.gz FTFRTVOCILODBP-GFCCVEGCSA-N 1 1 296.371 1.989 20 5 CDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602859721 344616111 /nfs/dbraw/zinc/61/61/11/344616111.db2.gz FTFRTVOCILODBP-GFCCVEGCSA-N 1 1 296.371 1.989 20 5 CDBDMO COC[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000602931740 344662785 /nfs/dbraw/zinc/66/27/85/344662785.db2.gz LDZLMBMFFPJXHS-CYBMUJFWSA-N 1 1 284.312 1.090 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000602881628 344633293 /nfs/dbraw/zinc/63/32/93/344633293.db2.gz GHEYPWYHQWQDAP-WCQYABFASA-N 1 1 296.371 1.583 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000072714487 345356900 /nfs/dbraw/zinc/35/69/00/345356900.db2.gz SQLXTECYYOUBMN-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000072714487 345356902 /nfs/dbraw/zinc/35/69/02/345356902.db2.gz SQLXTECYYOUBMN-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000265811079 362614489 /nfs/dbraw/zinc/61/44/89/362614489.db2.gz PVCVPWOWDKPUGC-UHFFFAOYSA-N 1 1 268.313 1.426 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2cccnc2[N+](=O)[O-])n1C ZINC000609626324 345983095 /nfs/dbraw/zinc/98/30/95/345983095.db2.gz YLSCUIFKALLBRI-UHFFFAOYSA-N 1 1 276.300 1.401 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCOC1 ZINC000610485236 346297222 /nfs/dbraw/zinc/29/72/22/346297222.db2.gz WEEONLSICJRKLE-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO CC(C)(CO)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610575717 346316434 /nfs/dbraw/zinc/31/64/34/346316434.db2.gz CTTXDRCISFWJBJ-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000611498515 346804479 /nfs/dbraw/zinc/80/44/79/346804479.db2.gz VBNOAFIUDLIDDV-QMMMGPOBSA-N 1 1 290.316 1.257 20 5 CDBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273344908 192120507 /nfs/dbraw/zinc/12/05/07/192120507.db2.gz BOYVEXBXKDWZJH-MRVPVSSYSA-N 1 1 282.275 1.560 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000364345854 362977349 /nfs/dbraw/zinc/97/73/49/362977349.db2.gz NJWAPBYCZRFWCJ-UHFFFAOYSA-N 1 1 280.328 1.294 20 5 CDBDMO CC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158661532 188388205 /nfs/dbraw/zinc/38/82/05/188388205.db2.gz XEQJVFVIDSLVRG-UHFFFAOYSA-N 1 1 284.312 1.426 20 5 CDBDMO CC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158661532 188388206 /nfs/dbraw/zinc/38/82/06/188388206.db2.gz XEQJVFVIDSLVRG-UHFFFAOYSA-N 1 1 284.312 1.426 20 5 CDBDMO Cc1cnc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271769229 191315333 /nfs/dbraw/zinc/31/53/33/191315333.db2.gz FZKHYVQVCMUATD-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO Cc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000271824859 191350066 /nfs/dbraw/zinc/35/00/66/191350066.db2.gz GNIOZQZIJYNYAT-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181020919 357303828 /nfs/dbraw/zinc/30/38/28/357303828.db2.gz GMTAPSOKGDEKSD-JTQLQIEISA-N 1 1 294.355 1.637 20 5 CDBDMO C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933834 357391466 /nfs/dbraw/zinc/39/14/66/357391466.db2.gz VWTMICHBUMYWPX-RYUDHWBXSA-N 1 1 280.324 1.819 20 5 CDBDMO CCc1nn(C)c(NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000361073774 357792565 /nfs/dbraw/zinc/79/25/65/357792565.db2.gz MPYDGSXMUOPVFR-UHFFFAOYSA-N 1 1 253.306 1.008 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408071755 357811270 /nfs/dbraw/zinc/81/12/70/357811270.db2.gz LIUJXKDSGMRVEU-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408071755 357811273 /nfs/dbraw/zinc/81/12/73/357811273.db2.gz LIUJXKDSGMRVEU-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO CCOC1CC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286899112 358024944 /nfs/dbraw/zinc/02/49/44/358024944.db2.gz IXUYJGSVVHOFBC-UHFFFAOYSA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1cccc(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000337611264 358092349 /nfs/dbraw/zinc/09/23/49/358092349.db2.gz YRMLHZXLFVKXHJ-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264727450 358270101 /nfs/dbraw/zinc/27/01/01/358270101.db2.gz HHMDKAYJLOUBER-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO Cc1[nH+]cn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000264927439 358772071 /nfs/dbraw/zinc/77/20/71/358772071.db2.gz OTKDAIYHPWXIFO-ZDUSSCGKSA-N 1 1 291.307 1.848 20 5 CDBDMO CO[C@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862920 359087641 /nfs/dbraw/zinc/08/76/41/359087641.db2.gz YJNPBGIIRATGCP-RYUDHWBXSA-N 1 1 294.355 1.718 20 5 CDBDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862920 359087645 /nfs/dbraw/zinc/08/76/45/359087645.db2.gz YJNPBGIIRATGCP-RYUDHWBXSA-N 1 1 294.355 1.718 20 5 CDBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000339625185 359418140 /nfs/dbraw/zinc/41/81/40/359418140.db2.gz GZPHLZRMYIUWMT-VIFPVBQESA-N 1 1 278.312 1.674 20 5 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O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000270953186 366945897 /nfs/dbraw/zinc/94/58/97/366945897.db2.gz TWUVTLDHTKPHFW-ZDUSSCGKSA-N 1 1 289.335 1.792 20 5 CDBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000270953186 366945900 /nfs/dbraw/zinc/94/59/00/366945900.db2.gz TWUVTLDHTKPHFW-ZDUSSCGKSA-N 1 1 289.335 1.792 20 5 CDBDMO CN(C)CC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459546363 366914456 /nfs/dbraw/zinc/91/44/56/366914456.db2.gz IEUIJDBDLPEARZ-UHFFFAOYSA-N 1 1 291.355 1.901 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000348636916 367598546 /nfs/dbraw/zinc/59/85/46/367598546.db2.gz SBNJVKNERPLBRY-JDBPXVJJSA-N 1 1 292.335 1.690 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000272360327 367695345 /nfs/dbraw/zinc/69/53/45/367695345.db2.gz SCYOCBOJZWLQTE-LBPRGKRZSA-N 1 1 296.367 1.887 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272631687 367783276 /nfs/dbraw/zinc/78/32/76/367783276.db2.gz KKEMGDYFGJXRHR-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634747 367785483 /nfs/dbraw/zinc/78/54/83/367785483.db2.gz WTSZOZJRJNGILX-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600676 367794771 /nfs/dbraw/zinc/79/47/71/367794771.db2.gz GDHZGWFKCTTXRX-VIFPVBQESA-N 1 1 263.297 1.536 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000351823100 369303304 /nfs/dbraw/zinc/30/33/04/369303304.db2.gz LDGXONBJTDDOJL-LDYMZIIASA-N 1 1 277.280 1.549 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000351823100 369303307 /nfs/dbraw/zinc/30/33/07/369303307.db2.gz LDGXONBJTDDOJL-LDYMZIIASA-N 1 1 277.280 1.549 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000543356703 372220950 /nfs/dbraw/zinc/22/09/50/372220950.db2.gz RCOODHIFROKFEO-JTQLQIEISA-N 1 1 293.323 1.171 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649661 372853639 /nfs/dbraw/zinc/85/36/39/372853639.db2.gz UYNASZNUOSHOKP-GFCCVEGCSA-N 1 1 294.355 1.773 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000121820883 373233493 /nfs/dbraw/zinc/23/34/93/373233493.db2.gz UYMUGOGTELKQCK-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121820883 373233500 /nfs/dbraw/zinc/23/35/00/373233500.db2.gz UYMUGOGTELKQCK-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121820883 373233503 /nfs/dbraw/zinc/23/35/03/373233503.db2.gz UYMUGOGTELKQCK-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091561878 374039963 /nfs/dbraw/zinc/03/99/63/374039963.db2.gz DHTPIOVYXDSSIS-JTQLQIEISA-N 1 1 281.360 1.644 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000301699491 374233306 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C[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000311237979 374247360 /nfs/dbraw/zinc/24/73/60/374247360.db2.gz XJWULZAPFVTMTG-VXNVDRBHSA-N 1 1 290.366 1.322 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000368571204 374318266 /nfs/dbraw/zinc/31/82/66/374318266.db2.gz DGIILAKENVXQTL-SNVBAGLBSA-N 1 1 281.287 1.431 20 5 CDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000369604038 374357948 /nfs/dbraw/zinc/35/79/48/374357948.db2.gz PPKKYLRWRPPXSQ-CHWSQXEVSA-N 1 1 275.308 1.305 20 5 CDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000369604038 374357953 /nfs/dbraw/zinc/35/79/53/374357953.db2.gz PPKKYLRWRPPXSQ-CHWSQXEVSA-N 1 1 275.308 1.305 20 5 CDBDMO Cc1c([C@@H](C)NC[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531722 374388446 /nfs/dbraw/zinc/38/84/46/374388446.db2.gz YOGNKLSCOWBVQP-NEPJUHHUSA-N 1 1 279.340 1.542 20 5 CDBDMO Cc1c(CC(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000423538535 374390083 /nfs/dbraw/zinc/39/00/83/374390083.db2.gz GQOZBTMOECSHNT-UHFFFAOYSA-N 1 1 287.266 1.156 20 5 CDBDMO CCOCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000093317023 374740800 /nfs/dbraw/zinc/74/08/00/374740800.db2.gz JRXXINQCEJIZHF-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000330571929 374866935 /nfs/dbraw/zinc/86/69/35/374866935.db2.gz DFQQCMJQDHVNAP-VXGBXAGGSA-N 1 1 291.351 1.688 20 5 CDBDMO CC[C@@]1(C)COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330532647 374860589 /nfs/dbraw/zinc/86/05/89/374860589.db2.gz TXOOPWUTDUZVRG-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[C@@]1(C)COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330532647 374860595 /nfs/dbraw/zinc/86/05/95/374860595.db2.gz TXOOPWUTDUZVRG-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658210 375040411 /nfs/dbraw/zinc/04/04/11/375040411.db2.gz ANYMILRONJOGMK-DZGCQCFKSA-N 1 1 293.367 1.484 20 5 CDBDMO CC(C)NC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332655853 375041356 /nfs/dbraw/zinc/04/13/56/375041356.db2.gz AGXLHHGDIHYYDN-UHFFFAOYSA-N 1 1 292.339 1.263 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282237436 375072652 /nfs/dbraw/zinc/07/26/52/375072652.db2.gz ZTDVWYZIQPSTTK-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000282462049 375085166 /nfs/dbraw/zinc/08/51/66/375085166.db2.gz UAARMJBQEUOAOY-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304566220 375462666 /nfs/dbraw/zinc/46/26/66/375462666.db2.gz ZKKZPTXAMUNSCZ-LBPRGKRZSA-N 1 1 296.371 1.807 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353481914 375616017 /nfs/dbraw/zinc/61/60/17/375616017.db2.gz LBGRSWQIEBIHNA-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000267069850 376800400 /nfs/dbraw/zinc/80/04/00/376800400.db2.gz KPQDLXFTDFZRSG-GHMZBOCLSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075633420 377852290 /nfs/dbraw/zinc/85/22/90/377852290.db2.gz HZDVEDPKMIFOBB-VIFPVBQESA-N 1 1 265.313 1.924 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000266930463 378755228 /nfs/dbraw/zinc/75/52/28/378755228.db2.gz OMVZRCYJISIPMH-NSHDSACASA-N 1 1 293.323 1.156 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000266930463 378755235 /nfs/dbraw/zinc/75/52/35/378755235.db2.gz OMVZRCYJISIPMH-NSHDSACASA-N 1 1 293.323 1.156 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266956440 378905746 /nfs/dbraw/zinc/90/57/46/378905746.db2.gz VRYORRUPKWJFCY-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)C1 ZINC000266956440 378905749 /nfs/dbraw/zinc/90/57/49/378905749.db2.gz VRYORRUPKWJFCY-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000268090291 285125645 /nfs/dbraw/zinc/12/56/45/285125645.db2.gz ISXRJUVOVJDMKG-AWEZNQCLSA-N 1 1 277.324 1.506 20 5 CDBDMO COCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000048611063 390449729 /nfs/dbraw/zinc/44/97/29/390449729.db2.gz CHYJRJQKQJMIFW-UHFFFAOYSA-N 1 1 281.312 1.502 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000450978300 390583846 /nfs/dbraw/zinc/58/38/46/390583846.db2.gz YFYVMCRSJDEVSP-ZDUSSCGKSA-N 1 1 280.324 1.485 20 5 CDBDMO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000451288905 390610144 /nfs/dbraw/zinc/61/01/44/390610144.db2.gz UQAQLTGQGUJYIQ-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000451288905 390610151 /nfs/dbraw/zinc/61/01/51/390610151.db2.gz UQAQLTGQGUJYIQ-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000451371485 390615299 /nfs/dbraw/zinc/61/52/99/390615299.db2.gz FENMDEZLLHEBCT-UHFFFAOYSA-N 1 1 261.285 1.318 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000158380696 390682764 /nfs/dbraw/zinc/68/27/64/390682764.db2.gz XQUQXUHNOGWLPB-WDEREUQCSA-N 1 1 293.371 1.929 20 5 CDBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013652 390977687 /nfs/dbraw/zinc/97/76/87/390977687.db2.gz SWFINNUHMOOVHQ-ZYHUDNBSSA-N 1 1 282.344 1.415 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451653 391009031 /nfs/dbraw/zinc/00/90/31/391009031.db2.gz XKHSZVZIRMUYSM-CHWSQXEVSA-N 1 1 293.367 1.795 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413295194 391191837 /nfs/dbraw/zinc/19/18/37/391191837.db2.gz GTLVWSBHLBRHEO-UHFFFAOYSA-N 1 1 299.350 1.424 20 5 CDBDMO CN(CCCNc1ncc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000413295194 391191839 /nfs/dbraw/zinc/19/18/39/391191839.db2.gz GTLVWSBHLBRHEO-UHFFFAOYSA-N 1 1 299.350 1.424 20 5 CDBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035845 391248811 /nfs/dbraw/zinc/24/88/11/391248811.db2.gz LDZXNLBIZXOMGU-MUYACECFSA-N 1 1 275.352 1.723 20 5 CDBDMO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295014487 391360269 /nfs/dbraw/zinc/36/02/69/391360269.db2.gz UEEJXNWJBZZUNQ-NSHDSACASA-N 1 1 276.340 1.910 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000267241027 391377443 /nfs/dbraw/zinc/37/74/43/391377443.db2.gz RTJJPRLFLZJDDT-UHFFFAOYSA-N 1 1 264.329 1.830 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083759 391402830 /nfs/dbraw/zinc/40/28/30/391402830.db2.gz KTWBSUIHXPQTBV-JTQLQIEISA-N 1 1 281.312 1.743 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186717294 391443147 /nfs/dbraw/zinc/44/31/47/391443147.db2.gz GDKFEUKQYUDSQM-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO COc1ccc(CNCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000397982522 391637948 /nfs/dbraw/zinc/63/79/48/391637948.db2.gz LGSNMBHBFBEQTB-UHFFFAOYSA-N 1 1 279.340 1.787 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358344388 391589491 /nfs/dbraw/zinc/58/94/91/391589491.db2.gz VJMGCZHMCYITCG-LBPRGKRZSA-N 1 1 251.286 1.073 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000266326214 391713967 /nfs/dbraw/zinc/71/39/67/391713967.db2.gz GEPXAZYZRAKUQV-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190914486 130160806 /nfs/dbraw/zinc/16/08/06/130160806.db2.gz XJSJVJGURDRRNX-PWSUYJOCSA-N 1 1 280.324 1.664 20 5 CDBDMO CCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842880 391933383 /nfs/dbraw/zinc/93/33/83/391933383.db2.gz PWTYTXWALSRRLX-ZYHUDNBSSA-N 1 1 270.333 1.273 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000354008315 391911435 /nfs/dbraw/zinc/91/14/35/391911435.db2.gz SEOKFMQWRDXQBJ-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO Cn1cncc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000459349828 392423349 /nfs/dbraw/zinc/42/33/49/392423349.db2.gz UVGDPJOOGFGQKN-UHFFFAOYSA-N 1 1 286.335 1.929 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000595375961 392561387 /nfs/dbraw/zinc/56/13/87/392561387.db2.gz FVQLHVZBSOWDJW-SNVBAGLBSA-N 1 1 291.311 1.994 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000595375961 392561390 /nfs/dbraw/zinc/56/13/90/392561390.db2.gz FVQLHVZBSOWDJW-SNVBAGLBSA-N 1 1 291.311 1.994 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000524720011 392918052 /nfs/dbraw/zinc/91/80/52/392918052.db2.gz UPONKAMDMOZIEF-JTQLQIEISA-N 1 1 280.328 1.005 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701880 392942814 /nfs/dbraw/zinc/94/28/14/392942814.db2.gz IRFRIWQFHRCFBQ-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000272188310 393012528 /nfs/dbraw/zinc/01/25/28/393012528.db2.gz LQHAAXULGDHQDB-DGCLKSJQSA-N 1 1 276.340 1.829 20 5 CDBDMO Cc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188312 393012784 /nfs/dbraw/zinc/01/27/84/393012784.db2.gz LQHAAXULGDHQDB-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO CO[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000449575089 393135502 /nfs/dbraw/zinc/13/55/02/393135502.db2.gz ZXWVJGLSRASVEP-JDBPXVJJSA-N 1 1 292.335 1.690 20 5 CDBDMO COc1cc(C(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000101952992 147142656 /nfs/dbraw/zinc/14/26/56/147142656.db2.gz SDEAFHCSDUQBSJ-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352425669 155181208 /nfs/dbraw/zinc/18/12/08/155181208.db2.gz MNCVGIVMVWGVHQ-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181885362 148229241 /nfs/dbraw/zinc/22/92/41/148229241.db2.gz ZZLHZAFKUSJCTE-UHFFFAOYSA-N 1 1 295.295 1.005 20 5 CDBDMO CCc1nn(C)c(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184784040 148372041 /nfs/dbraw/zinc/37/20/41/148372041.db2.gz NSGJIBIVMPUBGZ-UHFFFAOYSA-N 1 1 281.360 1.421 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)CC3CC3)nc2c1 ZINC000352481304 155215848 /nfs/dbraw/zinc/21/58/48/155215848.db2.gz FBPFEWCSDALHJK-UHFFFAOYSA-N 1 1 290.323 1.675 20 5 CDBDMO O=C(C[N@H+]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000313960687 149249731 /nfs/dbraw/zinc/24/97/31/149249731.db2.gz JEIOAXHRGKIYIE-LLVKDONJSA-N 1 1 293.323 1.380 20 5 CDBDMO O=C(C[N@@H+]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000313960687 149249733 /nfs/dbraw/zinc/24/97/33/149249733.db2.gz JEIOAXHRGKIYIE-LLVKDONJSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000334042191 149306064 /nfs/dbraw/zinc/30/60/64/149306064.db2.gz HZMABFILNMVJGY-VHSXEESVSA-N 1 1 295.314 1.946 20 5 CDBDMO C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343429984 152172401 /nfs/dbraw/zinc/17/24/01/152172401.db2.gz IAEXELWHMKPKLK-SMDDNHRTSA-N 1 1 291.351 1.736 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915533 152351337 /nfs/dbraw/zinc/35/13/37/152351337.db2.gz GXXKTWXEEWYIBW-SNVBAGLBSA-N 1 1 267.333 1.615 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354005437 156219853 /nfs/dbraw/zinc/21/98/53/156219853.db2.gz GOOLMBGPGSKPIL-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO Cc1ccn(C[C@@H]2CC[N@H+](C)C2)c(=O)c1[N+](=O)[O-] ZINC000361967033 159027447 /nfs/dbraw/zinc/02/74/47/159027447.db2.gz PGVJVPYOOYMQGV-SNVBAGLBSA-N 1 1 251.286 1.017 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362072890 159059575 /nfs/dbraw/zinc/05/95/75/159059575.db2.gz RLEQBYDWBUMLFS-VHSXEESVSA-N 1 1 268.288 1.794 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000362072889 159059849 /nfs/dbraw/zinc/05/98/49/159059849.db2.gz RLEQBYDWBUMLFS-UWVGGRQHSA-N 1 1 268.288 1.794 20 5 CDBDMO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000372114959 160080791 /nfs/dbraw/zinc/08/07/91/160080791.db2.gz BKGVMGDGAUQBOZ-HNNXBMFYSA-N 1 1 291.351 1.501 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020514866 171232076 /nfs/dbraw/zinc/23/20/76/171232076.db2.gz SGKHMJGXUHUESS-UHFFFAOYSA-N 1 1 278.312 1.764 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000285468437 196294117 /nfs/dbraw/zinc/29/41/17/196294117.db2.gz ZZOCPGCGDPOWPG-GFCCVEGCSA-N 1 1 250.298 1.858 20 5 CDBDMO COc1ccc(CNC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000045107732 175308449 /nfs/dbraw/zinc/30/84/49/175308449.db2.gz BAFNXAUFJFYAST-JTQLQIEISA-N 1 1 267.329 1.643 20 5 CDBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071185864 176059776 /nfs/dbraw/zinc/05/97/76/176059776.db2.gz VGBIXVOCRBLCDQ-JTQLQIEISA-N 1 1 292.339 1.318 20 5 CDBDMO C[C@H]1COCC[N@@H+]1CCN1CCc2c1cccc2[N+](=O)[O-] ZINC000192770089 270298747 /nfs/dbraw/zinc/29/87/47/270298747.db2.gz YLQGHYYKRVOQLR-LBPRGKRZSA-N 1 1 291.351 1.678 20 5 CDBDMO C[C@H]1COCC[N@H+]1CCN1CCc2c1cccc2[N+](=O)[O-] ZINC000192770089 270298749 /nfs/dbraw/zinc/29/87/49/270298749.db2.gz YLQGHYYKRVOQLR-LBPRGKRZSA-N 1 1 291.351 1.678 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720473 274074801 /nfs/dbraw/zinc/07/48/01/274074801.db2.gz PHZFACIOEWRIEI-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720473 274074803 /nfs/dbraw/zinc/07/48/03/274074803.db2.gz PHZFACIOEWRIEI-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000560367036 293027432 /nfs/dbraw/zinc/02/74/32/293027432.db2.gz DNSDMZOJDXLAGH-NSHDSACASA-N 1 1 294.355 1.393 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000582592759 325004498 /nfs/dbraw/zinc/00/44/98/325004498.db2.gz QQVBBBFTRLPMPU-JTQLQIEISA-N 1 1 282.319 1.907 20 5 CDBDMO CC(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000067386955 519717472 /nfs/dbraw/zinc/71/74/72/519717472.db2.gz SJBKMVIDDYCTHI-UHFFFAOYSA-N 1 1 295.339 1.417 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027995 521641608 /nfs/dbraw/zinc/64/16/08/521641608.db2.gz WLSQSWCDOCEXTP-SECBINFHSA-N 1 1 270.358 1.617 20 5 CDBDMO COc1cc(C[N@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000184239952 522350596 /nfs/dbraw/zinc/35/05/96/522350596.db2.gz PAGIVDMYMWAEQS-UHFFFAOYSA-N 1 1 258.249 1.167 20 5 CDBDMO COc1cc(C[N@@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000184239952 522350604 /nfs/dbraw/zinc/35/06/04/522350604.db2.gz PAGIVDMYMWAEQS-UHFFFAOYSA-N 1 1 258.249 1.167 20 5 CDBDMO C[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269105689 536343811 /nfs/dbraw/zinc/34/38/11/536343811.db2.gz BITLAUQQMLXAQP-UHFFFAOYSA-N 1 1 279.296 1.124 20 5 CDBDMO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000725779985 574435659 /nfs/dbraw/zinc/43/56/59/574435659.db2.gz VQTOGOLFKULBIW-SECBINFHSA-N 1 1 277.280 1.802 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000725779985 574435660 /nfs/dbraw/zinc/43/56/60/574435660.db2.gz VQTOGOLFKULBIW-SECBINFHSA-N 1 1 277.280 1.802 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685267 575486579 /nfs/dbraw/zinc/48/65/79/575486579.db2.gz PGDNJEVOQNEXNF-HNNXBMFYSA-N 1 1 293.367 1.654 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773258099 575795532 /nfs/dbraw/zinc/79/55/32/575795532.db2.gz GUFFNHXCAFNCCG-OLZOCXBDSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000773258099 575795534 /nfs/dbraw/zinc/79/55/34/575795534.db2.gz GUFFNHXCAFNCCG-OLZOCXBDSA-N 1 1 294.355 1.887 20 5 CDBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000743358495 576635092 /nfs/dbraw/zinc/63/50/92/576635092.db2.gz PVUVEHDRUMYHMT-UHFFFAOYSA-N 1 1 296.327 1.414 20 5 CDBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000743358495 576635094 /nfs/dbraw/zinc/63/50/94/576635094.db2.gz PVUVEHDRUMYHMT-UHFFFAOYSA-N 1 1 296.327 1.414 20 5 CDBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000746002355 576750623 /nfs/dbraw/zinc/75/06/23/576750623.db2.gz KMCIUWLQTFBDNE-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000746002355 576750625 /nfs/dbraw/zinc/75/06/25/576750625.db2.gz KMCIUWLQTFBDNE-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750068851 576974834 /nfs/dbraw/zinc/97/48/34/576974834.db2.gz BFKQNKYDHXRYNA-OLZOCXBDSA-N 1 1 266.297 1.349 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000784219648 617829243 /nfs/dbraw/zinc/82/92/43/617829243.db2.gz HEJSBLHFAWXKRK-STQMWFEESA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000784219648 617829246 /nfs/dbraw/zinc/82/92/46/617829246.db2.gz HEJSBLHFAWXKRK-STQMWFEESA-N 1 1 298.364 1.038 20 5 CDBDMO CC[C@@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841072744 618681794 /nfs/dbraw/zinc/68/17/94/618681794.db2.gz SKDWMDYWYNRPLG-GFCCVEGCSA-N 1 1 292.383 1.891 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000928572580 619423043 /nfs/dbraw/zinc/42/30/43/619423043.db2.gz HYJBDXRJHOPRFL-WXJAXGNASA-N 1 1 275.308 1.428 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905651361 626900443 /nfs/dbraw/zinc/90/04/43/626900443.db2.gz NBOAQHOBJICWBH-LLVKDONJSA-N 1 1 280.353 1.585 20 5 CDBDMO CC(C)N1CC[NH+](CCCn2ccnc2[N+](=O)[O-])CC1 ZINC000918379477 632362976 /nfs/dbraw/zinc/36/29/76/632362976.db2.gz YDHJFLNGOOMWGC-UHFFFAOYSA-N 1 1 281.360 1.207 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]2N)c([N+](=O)[O-])c1 ZINC001170306464 1162339166 /nfs/dbraw/zinc/33/91/66/1162339166.db2.gz VNUAAAIAJFUMMI-GGZOMVNGSA-N 1 1 265.313 1.224 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000885988652 711917284 /nfs/dbraw/zinc/91/72/84/711917284.db2.gz LNUSOEUAGFRAPI-LLVKDONJSA-N 1 1 265.313 1.584 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000885988652 711917288 /nfs/dbraw/zinc/91/72/88/711917288.db2.gz LNUSOEUAGFRAPI-LLVKDONJSA-N 1 1 265.313 1.584 20 5 CDBDMO O=[N+]([O-])CC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000791054383 711922520 /nfs/dbraw/zinc/92/25/20/711922520.db2.gz ZZVUICXFYBQSLL-UHFFFAOYSA-N 1 1 250.298 1.881 20 5 CDBDMO C[C@H](CCN(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059957 712003399 /nfs/dbraw/zinc/00/33/99/712003399.db2.gz JGFAEQPIMGZECP-RISCZKNCSA-N 1 1 281.356 1.558 20 5 CDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839765914 712022390 /nfs/dbraw/zinc/02/23/90/712022390.db2.gz YCOKLJQLBWSWFR-CHWSQXEVSA-N 1 1 295.339 1.225 20 5 CDBDMO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839765914 712022391 /nfs/dbraw/zinc/02/23/91/712022391.db2.gz YCOKLJQLBWSWFR-CHWSQXEVSA-N 1 1 295.339 1.225 20 5 CDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839765914 712022392 /nfs/dbraw/zinc/02/23/92/712022392.db2.gz YCOKLJQLBWSWFR-CHWSQXEVSA-N 1 1 295.339 1.225 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000712540912 712033825 /nfs/dbraw/zinc/03/38/25/712033825.db2.gz COKOMEYHYQDVSA-SSDOTTSWSA-N 1 1 267.314 1.420 20 5 CDBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000843145433 712037828 /nfs/dbraw/zinc/03/78/28/712037828.db2.gz LBPIOOMRNWZMFC-UHFFFAOYSA-N 1 1 251.246 1.093 20 5 CDBDMO COc1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861385840 712038927 /nfs/dbraw/zinc/03/89/27/712038927.db2.gz ZGFUSSWLRYHEHB-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000250065039 712089630 /nfs/dbraw/zinc/08/96/30/712089630.db2.gz WSJQFUPXSPNJIQ-ZFWWWQNUSA-N 1 1 294.351 1.865 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702068267 712113915 /nfs/dbraw/zinc/11/39/15/712113915.db2.gz UXAFZOAEJPXTQY-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482450 712260309 /nfs/dbraw/zinc/26/03/09/712260309.db2.gz BJWTWJWOHIMMFN-CHWSQXEVSA-N 1 1 294.355 1.867 20 5 CDBDMO COCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475528 712313350 /nfs/dbraw/zinc/31/33/50/712313350.db2.gz RAGVMFFCGVIQFS-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO COCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475528 712313352 /nfs/dbraw/zinc/31/33/52/712313352.db2.gz RAGVMFFCGVIQFS-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000843798140 712384183 /nfs/dbraw/zinc/38/41/83/712384183.db2.gz QUIKWIJLZPVLBX-SNVBAGLBSA-N 1 1 295.314 1.866 20 5 CDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000867943880 712397118 /nfs/dbraw/zinc/39/71/18/712397118.db2.gz IYTYFHBLUHQIRV-ZDUSSCGKSA-N 1 1 263.297 1.390 20 5 CDBDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000113064817 712417990 /nfs/dbraw/zinc/41/79/90/712417990.db2.gz MTVZNWQMBGMOED-NSHDSACASA-N 1 1 278.312 1.600 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000113064817 712417991 /nfs/dbraw/zinc/41/79/91/712417991.db2.gz MTVZNWQMBGMOED-NSHDSACASA-N 1 1 278.312 1.600 20 5 CDBDMO C[C@@H]([NH2+]C1CC1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191901 712450437 /nfs/dbraw/zinc/45/04/37/712450437.db2.gz NLVSDGZNONDSCV-MRVPVSSYSA-N 1 1 289.295 1.777 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032687 712495216 /nfs/dbraw/zinc/49/52/16/712495216.db2.gz LNGUZTKFMDWFNX-LBPRGKRZSA-N 1 1 278.356 1.763 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825863157 712526780 /nfs/dbraw/zinc/52/67/80/712526780.db2.gz MQGKXSMHUDRLFF-LBPRGKRZSA-N 1 1 285.388 1.622 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1[N+](=O)[O-] ZINC000893907007 712748384 /nfs/dbraw/zinc/74/83/84/712748384.db2.gz GIGUXBPQZPTNKV-KOLCDFICSA-N 1 1 296.323 1.512 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055699 712753018 /nfs/dbraw/zinc/75/30/18/712753018.db2.gz NOXGGNGSIJMEIL-ONGXEEELSA-N 1 1 295.314 1.946 20 5 CDBDMO Cc1c(C[NH2+]CCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000873073306 712799685 /nfs/dbraw/zinc/79/96/85/712799685.db2.gz PTIVZNYTGYLYBN-UHFFFAOYSA-N 1 1 261.285 1.354 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639359 719169565 /nfs/dbraw/zinc/16/95/65/719169565.db2.gz SBNXWMAPJVADRY-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001164639359 719169575 /nfs/dbraw/zinc/16/95/75/719169575.db2.gz SBNXWMAPJVADRY-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO COc1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164635697 719169712 /nfs/dbraw/zinc/16/97/12/719169712.db2.gz LGVHDMBTJXGVLT-ZJUUUORDSA-N 1 1 280.328 1.527 20 5 CDBDMO Cc1ccnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164635776 719171285 /nfs/dbraw/zinc/17/12/85/719171285.db2.gz LSBNGKCCAYIVHP-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO O=[N+]([O-])c1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165035863 721901046 /nfs/dbraw/zinc/90/10/46/721901046.db2.gz DPIDZOBSZVOMLS-ZDUSSCGKSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CS(=O)C2 ZINC001173221736 912306725 /nfs/dbraw/zinc/30/67/25/912306725.db2.gz LOVCBRKGJVEFNU-LLVKDONJSA-N 1 1 294.376 1.590 20 5 CDBDMO CO[C@]1(C)C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546307 912465604 /nfs/dbraw/zinc/46/56/04/912465604.db2.gz PQFODODAHYVPBA-WCQYABFASA-N 1 1 282.344 1.884 20 5 CDBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546307 912465613 /nfs/dbraw/zinc/46/56/13/912465613.db2.gz PQFODODAHYVPBA-WCQYABFASA-N 1 1 282.344 1.884 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751603 905570608 /nfs/dbraw/zinc/57/06/08/905570608.db2.gz MRMAKJOAUFHNSM-JTQLQIEISA-N 1 1 269.276 1.990 20 5 CDBDMO C[N@@H+](CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC000842320653 909710340 /nfs/dbraw/zinc/71/03/40/909710340.db2.gz WEGRKMNAAHJGOR-ZIAGYGMSSA-N 1 1 292.335 1.717 20 5 CDBDMO C[N@H+](CCCOC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000842320653 909710349 /nfs/dbraw/zinc/71/03/49/909710349.db2.gz WEGRKMNAAHJGOR-ZIAGYGMSSA-N 1 1 292.335 1.717 20 5 CDBDMO C[N@@H+](CCCOC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000842320653 909710358 /nfs/dbraw/zinc/71/03/58/909710358.db2.gz WEGRKMNAAHJGOR-ZIAGYGMSSA-N 1 1 292.335 1.717 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)CC2 ZINC001172904762 912039837 /nfs/dbraw/zinc/03/98/37/912039837.db2.gz AJAVQNMQCWZEJQ-AEGPPILISA-N 1 1 294.326 1.857 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000836848102 936805277 /nfs/dbraw/zinc/80/52/77/936805277.db2.gz BRXDGDXGJYGXEQ-RNCFNFMXSA-N 1 1 293.298 1.510 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000840126536 936939156 /nfs/dbraw/zinc/93/91/56/936939156.db2.gz PNOQEBYELSNRHW-BXKDBHETSA-N 1 1 282.344 1.722 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000840126536 936939157 /nfs/dbraw/zinc/93/91/57/936939157.db2.gz PNOQEBYELSNRHW-BXKDBHETSA-N 1 1 282.344 1.722 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC001168956798 927578003 /nfs/dbraw/zinc/57/80/03/927578003.db2.gz FLTSJSAYLWNBFM-STQMWFEESA-N 1 1 255.362 1.507 20 5 CDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168955500 927578064 /nfs/dbraw/zinc/57/80/64/927578064.db2.gz AXYGQSQRSZEYOK-RYUDHWBXSA-N 1 1 284.356 1.897 20 5 CDBDMO C[N@@H+](Cc1nnc2ccccn21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011838 927617564 /nfs/dbraw/zinc/61/75/64/927617564.db2.gz MRGSOZWMIOOUFA-VXGBXAGGSA-N 1 1 289.339 1.607 20 5 CDBDMO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168988356 927624882 /nfs/dbraw/zinc/62/48/82/927624882.db2.gz RFJIARQKNWRUEU-WUHRBBMRSA-N 1 1 286.372 1.999 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3nc(Cl)ncc3C2)C1 ZINC001169038447 927650909 /nfs/dbraw/zinc/65/09/09/927650909.db2.gz YWMYWSJRCYHORI-MWLCHTKSSA-N 1 1 296.758 1.934 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)C1 ZINC001169039089 927651181 /nfs/dbraw/zinc/65/11/81/927651181.db2.gz MYZWQPOCGSMXOX-MROQNXINSA-N 1 1 254.330 1.543 20 5 CDBDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169019152 927660535 /nfs/dbraw/zinc/66/05/35/927660535.db2.gz FABWJLSHXQUTFB-FDYHWXHSSA-N 1 1 281.356 1.127 20 5 CDBDMO CCCC[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024439 927663712 /nfs/dbraw/zinc/66/37/12/927663712.db2.gz HDIHJXRJXLXOCA-KGLIPLIRSA-N 1 1 269.389 1.850 20 5 CDBDMO CN(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022499 927663783 /nfs/dbraw/zinc/66/37/83/927663783.db2.gz CGXXPHYYXHTQKG-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022499 927663789 /nfs/dbraw/zinc/66/37/89/927663789.db2.gz CGXXPHYYXHTQKG-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO COCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169021916 927663936 /nfs/dbraw/zinc/66/39/36/927663936.db2.gz BCIGBRXJGHZQQY-DZGCQCFKSA-N 1 1 299.415 1.474 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cccnc3)C2)C1 ZINC001169025950 927667016 /nfs/dbraw/zinc/66/70/16/927667016.db2.gz KFKKIJZEFJABLK-NFAWXSAZSA-N 1 1 291.351 1.980 20 5 CDBDMO COCCCC[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057901 927674769 /nfs/dbraw/zinc/67/47/69/927674769.db2.gz YUSTVEHWSDJWFN-HUUCEWRRSA-N 1 1 299.415 1.476 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001156580377 928790094 /nfs/dbraw/zinc/79/00/94/928790094.db2.gz APTWCSVPNXJHKO-QMMMGPOBSA-N 1 1 261.285 1.587 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745301 937279893 /nfs/dbraw/zinc/27/98/93/937279893.db2.gz VJPGZOBSIHKTGG-HFBOFBSRSA-N 1 1 274.320 1.922 20 5 CDBDMO C[NH2+][C@H]1CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001156648549 928879410 /nfs/dbraw/zinc/87/94/10/928879410.db2.gz RANIHLIYFYWJDK-LLVKDONJSA-N 1 1 293.714 1.947 20 5 CDBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC001152577439 937373856 /nfs/dbraw/zinc/37/38/56/937373856.db2.gz BUMPJNOAWDFOSK-UHFFFAOYSA-N 1 1 293.323 1.888 20 5 CDBDMO CCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530927 937390628 /nfs/dbraw/zinc/39/06/28/937390628.db2.gz ZHYBZJPOHXDMQS-CHWSQXEVSA-N 1 1 297.399 1.860 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001116193710 937435331 /nfs/dbraw/zinc/43/53/31/937435331.db2.gz BYXIEIIXOTYBOI-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC1 ZINC001246358328 931483625 /nfs/dbraw/zinc/48/36/25/931483625.db2.gz ORHGKXCTLVEUMX-WCQYABFASA-N 1 1 263.341 1.867 20 5 CDBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930076855 933307680 /nfs/dbraw/zinc/30/76/80/933307680.db2.gz QMWFVJMPDOTKPO-NSHDSACASA-N 1 1 258.318 1.318 20 5 CDBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000930199855 933334551 /nfs/dbraw/zinc/33/45/51/933334551.db2.gz AQLJZYVJHOESBG-GFCCVEGCSA-N 1 1 295.339 1.129 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOC2CC2)CC1 ZINC000930680692 933428955 /nfs/dbraw/zinc/42/89/55/933428955.db2.gz LOWYIXWOWWMBIE-UHFFFAOYSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@@H](C[N@H+](C)CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000931335740 933543133 /nfs/dbraw/zinc/54/31/33/933543133.db2.gz YRDQQLMLUUALBG-VIFPVBQESA-N 1 1 261.322 1.108 20 5 CDBDMO C[C@@H](C[N@@H+](C)CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000931335740 933543139 /nfs/dbraw/zinc/54/31/39/933543139.db2.gz YRDQQLMLUUALBG-VIFPVBQESA-N 1 1 261.322 1.108 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001157270876 938473684 /nfs/dbraw/zinc/47/36/84/938473684.db2.gz GMGTXMJVSDVRJC-DGCLKSJQSA-N 1 1 292.339 1.067 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CC[C@@H]3C2)c(Cl)c1 ZINC001158424703 938622098 /nfs/dbraw/zinc/62/20/98/938622098.db2.gz HHGICXCQNYACRV-MRVPVSSYSA-N 1 1 268.704 1.538 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CC[C@@H]3C2)c(Cl)c1 ZINC001158424703 938622100 /nfs/dbraw/zinc/62/21/00/938622100.db2.gz HHGICXCQNYACRV-MRVPVSSYSA-N 1 1 268.704 1.538 20 5 CDBDMO Nc1cn[nH+]cc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215290202 940871353 /nfs/dbraw/zinc/87/13/53/940871353.db2.gz ZSYWGERXXNYOSF-UHFFFAOYSA-N 1 1 267.195 1.989 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CC[N@@H+](C)C1 ZINC001225448120 941860876 /nfs/dbraw/zinc/86/08/76/941860876.db2.gz OLQQODQMIHXJMV-JTQLQIEISA-N 1 1 280.280 1.464 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581062 942029817 /nfs/dbraw/zinc/02/98/17/942029817.db2.gz KEAQRHRTWCPWQQ-JTQLQIEISA-N 1 1 281.312 1.862 20 5 CDBDMO COC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227295061 942164170 /nfs/dbraw/zinc/16/41/70/942164170.db2.gz ISYRFGHALNURNY-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233554152 943616211 /nfs/dbraw/zinc/61/62/11/943616211.db2.gz RFPQCJUYROHQJK-LLVKDONJSA-N 1 1 281.312 1.398 20 5 CDBDMO CN(C)CC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600610 947549009 /nfs/dbraw/zinc/54/90/09/947549009.db2.gz SVEUZYOXWXWHAO-CQSZACIVSA-N 1 1 263.341 1.555 20 5 CDBDMO CN(C)CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600610 947549016 /nfs/dbraw/zinc/54/90/16/947549016.db2.gz SVEUZYOXWXWHAO-CQSZACIVSA-N 1 1 263.341 1.555 20 5 CDBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1(C)COC1 ZINC001254602853 947553526 /nfs/dbraw/zinc/55/35/26/947553526.db2.gz JGVMMNLCZDZPAK-CYBMUJFWSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246100225 947951049 /nfs/dbraw/zinc/95/10/49/947951049.db2.gz SIIOATUUEMRQLW-LERXQTSPSA-N 1 1 281.331 1.815 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001303990411 956147789 /nfs/dbraw/zinc/14/77/89/956147789.db2.gz XUIYXLFGYJPLNO-CYBMUJFWSA-N 1 1 291.351 1.973 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)n1 ZINC001308163073 956483949 /nfs/dbraw/zinc/48/39/49/956483949.db2.gz YQGZXCUTLVQQOL-QWHCGFSZSA-N 1 1 294.355 1.825 20 5 CDBDMO Cc1cc(C(=O)NCC[NH+]2CC=CC2)c(N)c([N+](=O)[O-])c1 ZINC001318910354 958298607 /nfs/dbraw/zinc/29/86/07/958298607.db2.gz OFRKZJDOJZOYRY-UHFFFAOYSA-N 1 1 290.323 1.087 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1C ZINC001333998141 958752989 /nfs/dbraw/zinc/75/29/89/958752989.db2.gz BSKZPUTVRJHHKM-NSHDSACASA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC001333998141 958752996 /nfs/dbraw/zinc/75/29/96/958752996.db2.gz BSKZPUTVRJHHKM-NSHDSACASA-N 1 1 291.351 1.988 20 5 CDBDMO C[C@]1(CO)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965602 958819336 /nfs/dbraw/zinc/81/93/36/958819336.db2.gz SPUXTCLIXAPVHM-GJZGRUSLSA-N 1 1 294.351 1.723 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001322423944 960217422 /nfs/dbraw/zinc/21/74/22/960217422.db2.gz IAFOBIWMRKLWEP-LBPRGKRZSA-N 1 1 278.356 1.862 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542613 960389318 /nfs/dbraw/zinc/38/93/18/960389318.db2.gz IODIDOKADGPWAN-GZMMTYOYSA-N 1 1 277.328 1.467 20 5 CDBDMO C[N@@H+](CCNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001337745338 961398660 /nfs/dbraw/zinc/39/86/60/961398660.db2.gz BTGYMPPHVKVIOX-UHFFFAOYSA-N 1 1 251.290 1.078 20 5 CDBDMO C[C@H]1CC[N@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492343 961836719 /nfs/dbraw/zinc/83/67/19/961836719.db2.gz SSVMXFMNRFJLJW-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001338492343 961836737 /nfs/dbraw/zinc/83/67/37/961836737.db2.gz SSVMXFMNRFJLJW-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@H](O)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601107527 342466674 /nfs/dbraw/zinc/46/66/74/342466674.db2.gz AKQGFTHPGVHTII-VIFPVBQESA-N 1 1 261.281 1.960 20 5 CDBDMO CC(=O)c1cc(N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000300545531 342555209 /nfs/dbraw/zinc/55/52/09/342555209.db2.gz KOUFQPQXUJUVOW-SNVBAGLBSA-N 1 1 277.324 1.938 20 5 CDBDMO CC(=O)c1cc(N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000300545531 342555210 /nfs/dbraw/zinc/55/52/10/342555210.db2.gz KOUFQPQXUJUVOW-SNVBAGLBSA-N 1 1 277.324 1.938 20 5 CDBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000290250179 197646021 /nfs/dbraw/zinc/64/60/21/197646021.db2.gz VRHFLPHRKLBWHM-UHFFFAOYSA-N 1 1 292.382 1.569 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000593067624 342762124 /nfs/dbraw/zinc/76/21/24/342762124.db2.gz XMPOZXDARGPNHX-CHWSQXEVSA-N 1 1 266.297 1.176 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000594065726 342870309 /nfs/dbraw/zinc/87/03/09/342870309.db2.gz UBMUIEMHGCKOSJ-VIFPVBQESA-N 1 1 290.323 1.816 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000594065726 342870310 /nfs/dbraw/zinc/87/03/10/342870310.db2.gz UBMUIEMHGCKOSJ-VIFPVBQESA-N 1 1 290.323 1.816 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417096 342902913 /nfs/dbraw/zinc/90/29/13/342902913.db2.gz ABXQNWLKJHISCP-YPMHNXCESA-N 1 1 292.339 1.670 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000594600458 342929913 /nfs/dbraw/zinc/92/99/13/342929913.db2.gz LIWFZFLZYRDBSJ-RYUDHWBXSA-N 1 1 277.328 1.814 20 5 CDBDMO Cn1c[nH+]cc1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000401829763 349725032 /nfs/dbraw/zinc/72/50/32/349725032.db2.gz FLQJHORTEBXLQC-UHFFFAOYSA-N 1 1 298.306 1.348 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[N+](=O)[O-] ZINC000595394647 343047080 /nfs/dbraw/zinc/04/70/80/343047080.db2.gz YHWRMKQZKDMXIU-SNVBAGLBSA-N 1 1 291.311 1.614 20 5 CDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524775 343088918 /nfs/dbraw/zinc/08/89/18/343088918.db2.gz MPZRDIBATVBOBN-VHSXEESVSA-N 1 1 269.301 1.484 20 5 CDBDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595526548 343089466 /nfs/dbraw/zinc/08/94/66/343089466.db2.gz UBFIPMBOUAMLBL-RKDXNWHRSA-N 1 1 255.274 1.548 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595559775 343097703 /nfs/dbraw/zinc/09/77/03/343097703.db2.gz QHRZQAZRMXCOOO-VXNVDRBHSA-N 1 1 283.284 1.132 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595559775 343097705 /nfs/dbraw/zinc/09/77/05/343097705.db2.gz QHRZQAZRMXCOOO-VXNVDRBHSA-N 1 1 283.284 1.132 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235760593 362088545 /nfs/dbraw/zinc/08/85/45/362088545.db2.gz SFKRRNAXPLSTFY-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235760593 362088548 /nfs/dbraw/zinc/08/85/48/362088548.db2.gz SFKRRNAXPLSTFY-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872686 343177148 /nfs/dbraw/zinc/17/71/48/343177148.db2.gz KQNSBQWBRWSKDG-IUODEOHRSA-N 1 1 294.351 1.924 20 5 CDBDMO Cc1noc(CO[C@H](C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000596021600 343215338 /nfs/dbraw/zinc/21/53/38/343215338.db2.gz HHZHZFQOMVTGCT-SSDOTTSWSA-N 1 1 266.257 1.762 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595912461 343190420 /nfs/dbraw/zinc/19/04/20/343190420.db2.gz MSCOHICTBXLVTD-PWSUYJOCSA-N 1 1 282.344 1.130 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596103927 343228194 /nfs/dbraw/zinc/22/81/94/343228194.db2.gz HVEYXOBRSCRHNH-SNVBAGLBSA-N 1 1 294.355 1.836 20 5 CDBDMO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000596142612 343242012 /nfs/dbraw/zinc/24/20/12/343242012.db2.gz UEVLNKYZAMKDMJ-NSHDSACASA-N 1 1 292.339 1.224 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)C(C)(C)C ZINC000090564436 342396563 /nfs/dbraw/zinc/39/65/63/342396563.db2.gz AYFBJPVCFHMFJG-LBPRGKRZSA-N 1 1 297.355 1.095 20 5 CDBDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090884568 342397936 /nfs/dbraw/zinc/39/79/36/342397936.db2.gz ZPUDJYAQJFJHIA-IINYFYTJSA-N 1 1 290.323 1.713 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000588977539 342446315 /nfs/dbraw/zinc/44/63/15/342446315.db2.gz PZFXHVQVBUPHHW-SECBINFHSA-N 1 1 281.287 1.431 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579007 349809975 /nfs/dbraw/zinc/80/99/75/349809975.db2.gz YONFMWHVWXUSJH-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO C[NH+](C)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000453624407 252329682 /nfs/dbraw/zinc/32/96/82/252329682.db2.gz QMKIWLPPERJPBI-UHFFFAOYSA-N 1 1 267.329 1.730 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178771635 529839129 /nfs/dbraw/zinc/83/91/29/529839129.db2.gz QJZXWRNADQOXGQ-NSHDSACASA-N 1 1 293.323 1.502 20 5 CDBDMO C[N@@H+](CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265304 529874185 /nfs/dbraw/zinc/87/41/85/529874185.db2.gz AOKFAPQZDUVWET-SECBINFHSA-N 1 1 296.249 1.036 20 5 CDBDMO CCn1nncc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598985768 343934992 /nfs/dbraw/zinc/93/49/92/343934992.db2.gz JSKFDKDATZULHG-UHFFFAOYSA-N 1 1 291.311 1.505 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825667 344161430 /nfs/dbraw/zinc/16/14/30/344161430.db2.gz MJLRIZCKJMYECB-UHFFFAOYSA-N 1 1 276.296 1.829 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601973101 344300980 /nfs/dbraw/zinc/30/09/80/344300980.db2.gz KVGAPNRTNLAXFB-BETUJISGSA-N 1 1 292.335 1.942 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602766296 344572876 /nfs/dbraw/zinc/57/28/76/344572876.db2.gz OGUNJQDNJCYSIZ-LBPRGKRZSA-N 1 1 282.344 1.601 20 5 CDBDMO CO[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804107 344592621 /nfs/dbraw/zinc/59/26/21/344592621.db2.gz 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CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000430242013 393095025 /nfs/dbraw/zinc/09/50/25/393095025.db2.gz XDLWFGLWHCEGMH-UHFFFAOYSA-N 1 1 289.295 1.280 20 5 CDBDMO Cc1cccc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302522709 393199861 /nfs/dbraw/zinc/19/98/61/393199861.db2.gz YLOBQWBVSQGHKR-UHFFFAOYSA-N 1 1 293.367 1.796 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252858003 140327438 /nfs/dbraw/zinc/32/74/38/140327438.db2.gz IOVDLJGESYNUFQ-AEGPPILISA-N 1 1 276.336 1.840 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261762012 140385215 /nfs/dbraw/zinc/38/52/15/140385215.db2.gz VBWIHSYJMROTPZ-AWEZNQCLSA-N 1 1 290.367 1.074 20 5 CDBDMO Cc1cc(C(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000101952225 147141722 /nfs/dbraw/zinc/14/17/22/147141722.db2.gz GZZZYHWVYXXEQQ-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCCCO)C2CC2)n1 ZINC000176246905 148032773 /nfs/dbraw/zinc/03/27/73/148032773.db2.gz DUPIIYWBNXTGEK-UHFFFAOYSA-N 1 1 268.317 1.028 20 5 CDBDMO Cc1c(C[N@@H+](C)CCOCCO)cccc1[N+](=O)[O-] ZINC000311513228 149215926 /nfs/dbraw/zinc/21/59/26/149215926.db2.gz CDFHUPDHKXKUFG-UHFFFAOYSA-N 1 1 268.313 1.344 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352658897 155328098 /nfs/dbraw/zinc/32/80/98/155328098.db2.gz KWGFSHSNTMVXFP-KBPBESRZSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000349873011 154250844 /nfs/dbraw/zinc/25/08/44/154250844.db2.gz JJMVFXDBFGZNAS-VHSXEESVSA-N 1 1 295.343 1.311 20 5 CDBDMO CSc1cccc(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000362424791 159145399 /nfs/dbraw/zinc/14/53/99/159145399.db2.gz WUBLQMZFWIAJQE-UHFFFAOYSA-N 1 1 295.364 1.752 20 5 CDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000362605466 159193642 /nfs/dbraw/zinc/19/36/42/159193642.db2.gz FWANLZKOLSZJLP-JTQLQIEISA-N 1 1 297.359 1.026 20 5 CDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000362605466 159193644 /nfs/dbraw/zinc/19/36/44/159193644.db2.gz FWANLZKOLSZJLP-JTQLQIEISA-N 1 1 297.359 1.026 20 5 CDBDMO CSC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285190283 196217151 /nfs/dbraw/zinc/21/71/51/196217151.db2.gz CIJYRJDZDFWXGO-LBPRGKRZSA-N 1 1 284.381 1.793 20 5 CDBDMO O=[N+]([O-])c1ccc(CCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000040676054 174373736 /nfs/dbraw/zinc/37/37/36/174373736.db2.gz WWKPGGAEVPGFEE-OAHLLOKOSA-N 1 1 293.367 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000040676054 174373737 /nfs/dbraw/zinc/37/37/37/174373737.db2.gz WWKPGGAEVPGFEE-OAHLLOKOSA-N 1 1 293.367 1.184 20 5 CDBDMO Cc1nn(C)c(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000044563296 175206323 /nfs/dbraw/zinc/20/63/23/175206323.db2.gz GQEBTXJULRHKIT-SNVBAGLBSA-N 1 1 267.333 1.533 20 5 CDBDMO CCOC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616575 270232271 /nfs/dbraw/zinc/23/22/71/270232271.db2.gz PGDMWMKEMUKJET-CQSZACIVSA-N 1 1 280.324 1.350 20 5 CDBDMO CCOC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616575 270232273 /nfs/dbraw/zinc/23/22/73/270232273.db2.gz PGDMWMKEMUKJET-CQSZACIVSA-N 1 1 280.324 1.350 20 5 CDBDMO C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000515401160 270438728 /nfs/dbraw/zinc/43/87/28/270438728.db2.gz MTTUSKHDRHQTPB-SMDDNHRTSA-N 1 1 291.351 1.909 20 5 CDBDMO CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153501027 273667432 /nfs/dbraw/zinc/66/74/32/273667432.db2.gz PCYCCDZWCSEKJP-UHFFFAOYSA-N 1 1 270.720 1.785 20 5 CDBDMO COCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268162349 274029996 /nfs/dbraw/zinc/02/99/96/274029996.db2.gz SZEUICHJUDHNDQ-UHFFFAOYSA-N 1 1 279.340 1.672 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000360990406 276073561 /nfs/dbraw/zinc/07/35/61/276073561.db2.gz LFBKUOPAGLXWLA-LBPRGKRZSA-N 1 1 295.387 1.898 20 5 CDBDMO CC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265164372 276204187 /nfs/dbraw/zinc/20/41/87/276204187.db2.gz FQAFAACCZHNGKT-UHFFFAOYSA-N 1 1 250.302 1.440 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000287879914 277198824 /nfs/dbraw/zinc/19/88/24/277198824.db2.gz UHZURSHFXACVGN-AOOOYVTPSA-N 1 1 265.288 1.732 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289040974 277939691 /nfs/dbraw/zinc/93/96/91/277939691.db2.gz BNLFSOMYELUSLG-CQSZACIVSA-N 1 1 295.339 1.593 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248956606 280397726 /nfs/dbraw/zinc/39/77/26/280397726.db2.gz QHFLATCZJHHCQY-VXGBXAGGSA-N 1 1 282.340 1.201 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(C)CO ZINC000571210947 294389990 /nfs/dbraw/zinc/38/99/90/294389990.db2.gz RNCPMIZXRCMTMN-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO CCC[N@H+](C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350889392 316217846 /nfs/dbraw/zinc/21/78/46/316217846.db2.gz MRGCMTUFPKRWDP-UHFFFAOYSA-N 1 1 280.288 1.220 20 5 CDBDMO CCC[N@@H+](C)Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350889392 316217850 /nfs/dbraw/zinc/21/78/50/316217850.db2.gz MRGCMTUFPKRWDP-UHFFFAOYSA-N 1 1 280.288 1.220 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987628 1160360391 /nfs/dbraw/zinc/36/03/91/1160360391.db2.gz JJDVLTDBIVHFPA-NSHDSACASA-N 1 1 251.286 1.851 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000791051340 1162186686 /nfs/dbraw/zinc/18/66/86/1162186686.db2.gz BCSTVOQPIAWRMB-CQSZACIVSA-N 1 1 264.325 1.635 20 5 CDBDMO CO[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675379 523972479 /nfs/dbraw/zinc/97/24/79/523972479.db2.gz OESZYUVZYSVEPA-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184197773 524066964 /nfs/dbraw/zinc/06/69/64/524066964.db2.gz HPWDUVZZVINOMV-UHFFFAOYSA-N 1 1 299.302 1.310 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184197773 524066966 /nfs/dbraw/zinc/06/69/66/524066966.db2.gz HPWDUVZZVINOMV-UHFFFAOYSA-N 1 1 299.302 1.310 20 5 CDBDMO COc1ccc(C[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000071139025 524073311 /nfs/dbraw/zinc/07/33/11/524073311.db2.gz CHMYVLBMCKOARZ-UHFFFAOYSA-N 1 1 276.296 1.627 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247010913 525770568 /nfs/dbraw/zinc/77/05/68/525770568.db2.gz CEAFPOMDMKRMQQ-STQMWFEESA-N 1 1 293.367 1.482 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1csc([N+](=O)[O-])c1 ZINC000337326475 526304707 /nfs/dbraw/zinc/30/47/07/526304707.db2.gz WDSMQTJWWQKYIX-UHFFFAOYSA-N 1 1 255.299 1.092 20 5 CDBDMO Cc1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541097 526998502 /nfs/dbraw/zinc/99/85/02/526998502.db2.gz BBUIGLAHYCUYCW-VXGBXAGGSA-N 1 1 292.339 1.573 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000072013197 527439162 /nfs/dbraw/zinc/43/91/62/527439162.db2.gz CNMHHGKAKIPSHA-VIFPVBQESA-N 1 1 292.295 1.759 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288342087 529135075 /nfs/dbraw/zinc/13/50/75/529135075.db2.gz IRZNRIGSIGUIGC-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288342087 529135077 /nfs/dbraw/zinc/13/50/77/529135077.db2.gz IRZNRIGSIGUIGC-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000771859519 575629374 /nfs/dbraw/zinc/62/93/74/575629374.db2.gz SVSYTUPYWAWTBR-UHFFFAOYSA-N 1 1 265.225 1.550 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397428 575574300 /nfs/dbraw/zinc/57/43/00/575574300.db2.gz PRLJNNUCJQJBRE-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397428 575574303 /nfs/dbraw/zinc/57/43/03/575574303.db2.gz PRLJNNUCJQJBRE-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742234627 576590197 /nfs/dbraw/zinc/59/01/97/576590197.db2.gz GAYHDNYXGIOBER-FZKGZDJFSA-N 1 1 289.335 1.771 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000754783803 576915273 /nfs/dbraw/zinc/91/52/73/576915273.db2.gz OTDVQPUEXYBCMS-GFCCVEGCSA-N 1 1 280.328 1.497 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000754783803 576915274 /nfs/dbraw/zinc/91/52/74/576915274.db2.gz OTDVQPUEXYBCMS-GFCCVEGCSA-N 1 1 280.328 1.497 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000756841703 577007612 /nfs/dbraw/zinc/00/76/12/577007612.db2.gz HVMRTXGUQCVRHA-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000756841703 577007614 /nfs/dbraw/zinc/00/76/14/577007614.db2.gz HVMRTXGUQCVRHA-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000751940379 577076058 /nfs/dbraw/zinc/07/60/58/577076058.db2.gz HQPROIBNNAIICX-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000751940379 577076060 /nfs/dbraw/zinc/07/60/60/577076060.db2.gz HQPROIBNNAIICX-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000892186226 617536899 /nfs/dbraw/zinc/53/68/99/617536899.db2.gz RIDBSVCJPNIVPU-ZDUSSCGKSA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000892186226 617536901 /nfs/dbraw/zinc/53/69/01/617536901.db2.gz RIDBSVCJPNIVPU-ZDUSSCGKSA-N 1 1 282.296 1.266 20 5 CDBDMO C[C@@H]([NH2+][C@H]1C(=O)NCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000931663708 617618722 /nfs/dbraw/zinc/61/87/22/617618722.db2.gz VFMSMTXVEOXKHW-SKDRFNHKSA-N 1 1 277.324 1.770 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000891936595 617800839 /nfs/dbraw/zinc/80/08/39/617800839.db2.gz YIQUPPOOPJGVDI-SNVBAGLBSA-N 1 1 282.296 1.530 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000891936595 617800841 /nfs/dbraw/zinc/80/08/41/617800841.db2.gz YIQUPPOOPJGVDI-SNVBAGLBSA-N 1 1 282.296 1.530 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893933805 618193508 /nfs/dbraw/zinc/19/35/08/618193508.db2.gz CVAVWKJTXSUAPL-GZMMTYOYSA-N 1 1 282.731 1.784 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N(C)OC ZINC000895040728 619218474 /nfs/dbraw/zinc/21/84/74/619218474.db2.gz GAXBCCOPBPXKAF-UHFFFAOYSA-N 1 1 297.311 1.103 20 5 CDBDMO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246753 619492895 /nfs/dbraw/zinc/49/28/95/619492895.db2.gz DINDMFMKFNOXHR-ONGXEEELSA-N 1 1 284.385 1.703 20 5 CDBDMO CN(C)c1cc[nH+]c(CNc2c([N+](=O)[O-])cnn2C)c1 ZINC000895474560 619685291 /nfs/dbraw/zinc/68/52/91/619685291.db2.gz QKSJEIZVOWKZSR-UHFFFAOYSA-N 1 1 276.300 1.401 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000899890702 622503988 /nfs/dbraw/zinc/50/39/88/622503988.db2.gz GZMQFSOAJUMJLO-VIFPVBQESA-N 1 1 270.251 1.743 20 5 CDBDMO NC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412754 624737258 /nfs/dbraw/zinc/73/72/58/624737258.db2.gz CXWMYLPBFVBPKR-CYBMUJFWSA-N 1 1 275.352 1.997 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)cc1F ZINC000905105792 626622045 /nfs/dbraw/zinc/62/20/45/626622045.db2.gz ZZAVWFKXURKTIH-UHFFFAOYSA-N 1 1 277.093 1.955 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000905132126 626646426 /nfs/dbraw/zinc/64/64/26/626646426.db2.gz FNGYLJZQZLZLGK-NSHDSACASA-N 1 1 283.715 1.312 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCCN1C1CCCCC1 ZINC000905227654 626683514 /nfs/dbraw/zinc/68/35/14/626683514.db2.gz DSWDVHWLQKFXEK-GFCCVEGCSA-N 1 1 269.345 1.176 20 5 CDBDMO COc1ccc(C2=NO[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1C ZINC000905255532 626707547 /nfs/dbraw/zinc/70/75/47/626707547.db2.gz UBXUGCBYNHVFFB-LBPRGKRZSA-N 1 1 293.323 1.363 20 5 CDBDMO COc1ccc(C2=NO[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1C ZINC000905255531 626707656 /nfs/dbraw/zinc/70/76/56/626707656.db2.gz UBXUGCBYNHVFFB-GFCCVEGCSA-N 1 1 293.323 1.363 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656698 631771336 /nfs/dbraw/zinc/77/13/36/631771336.db2.gz JRJZXHJGYNZYJG-NSHDSACASA-N 1 1 267.333 1.021 20 5 CDBDMO Cn1c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810843899 1163324592 /nfs/dbraw/zinc/32/45/92/1163324592.db2.gz YNTKKOOZXJONBN-GHMZBOCLSA-N 1 1 293.323 1.717 20 5 CDBDMO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000815177619 1164112945 /nfs/dbraw/zinc/11/29/45/1164112945.db2.gz RSWUQMZTEVNROK-ZOWXZIJZSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000815177619 1164112951 /nfs/dbraw/zinc/11/29/51/1164112951.db2.gz RSWUQMZTEVNROK-ZOWXZIJZSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000815177619 1164112956 /nfs/dbraw/zinc/11/29/56/1164112956.db2.gz RSWUQMZTEVNROK-ZOWXZIJZSA-N 1 1 293.367 1.653 20 5 CDBDMO CC[N@H+]1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865528404 1164658491 /nfs/dbraw/zinc/65/84/91/1164658491.db2.gz RRFCHSXBQMSSPO-UHFFFAOYSA-N 1 1 297.330 1.758 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000870853481 1165223421 /nfs/dbraw/zinc/22/34/21/1165223421.db2.gz JHBWDTCBOSKUJO-CQSZACIVSA-N 1 1 277.324 1.781 20 5 CDBDMO C[C@H]1CCC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590265376 1173327137 /nfs/dbraw/zinc/32/71/37/1173327137.db2.gz SMVPZTVLULNDNH-VIFPVBQESA-N 1 1 288.311 1.759 20 5 CDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC=CCC1 ZINC001593468067 1174078965 /nfs/dbraw/zinc/07/89/65/1174078965.db2.gz YQOUKORDWOSDFJ-UHFFFAOYSA-N 1 1 286.295 1.537 20 5 CDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC=CCC1 ZINC001593468067 1174078970 /nfs/dbraw/zinc/07/89/70/1174078970.db2.gz YQOUKORDWOSDFJ-UHFFFAOYSA-N 1 1 286.295 1.537 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408067966 719153621 /nfs/dbraw/zinc/15/36/21/719153621.db2.gz QDQDSWQBPFTNNH-NXEZZACHSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865809286 1164693993 /nfs/dbraw/zinc/69/39/93/1164693993.db2.gz MLUZZCYDGNPGCV-LLVKDONJSA-N 1 1 295.314 1.487 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000866060550 1164727344 /nfs/dbraw/zinc/72/73/44/1164727344.db2.gz FUVDGKLVEZICMR-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO CN(C)c1noc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000877412809 1166032997 /nfs/dbraw/zinc/03/29/97/1166032997.db2.gz XLLANTKBHXZZLD-UHFFFAOYSA-N 1 1 291.311 1.376 20 5 CDBDMO CCOC[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177635499 895239201 /nfs/dbraw/zinc/23/92/01/895239201.db2.gz LRDAZDYYENBCMA-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177635499 895239214 /nfs/dbraw/zinc/23/92/14/895239214.db2.gz LRDAZDYYENBCMA-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)o1 ZINC000843237737 921465113 /nfs/dbraw/zinc/46/51/13/921465113.db2.gz FFRUMGGTTZEXLF-MRVPVSSYSA-N 1 1 294.267 1.506 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000164671567 911373897 /nfs/dbraw/zinc/37/38/97/911373897.db2.gz LAFFVKWNMGTAKJ-AAEUAGOBSA-N 1 1 279.344 1.165 20 5 CDBDMO O=C(NCCCCCC[NH2+]CC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001178463757 915450492 /nfs/dbraw/zinc/45/04/92/915450492.db2.gz KVRXSPFPBFVDNW-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869868 936444591 /nfs/dbraw/zinc/44/45/91/936444591.db2.gz BEKIAODJWIZDSH-CMPLNLGQSA-N 1 1 283.372 1.421 20 5 CDBDMO O=C(NCC1=CC[N@H+](C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000676249 936538026 /nfs/dbraw/zinc/53/80/26/936538026.db2.gz ZSPUGXHZTBZSRA-IYODYBDTSA-N 1 1 299.758 1.152 20 5 CDBDMO O=C(NCC1=CC[N@@H+](C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000676249 936538027 /nfs/dbraw/zinc/53/80/27/936538027.db2.gz ZSPUGXHZTBZSRA-IYODYBDTSA-N 1 1 299.758 1.152 20 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/nfs/dbraw/zinc/93/93/20/936939320.db2.gz PNOQEBYELSNRHW-CABZTGNLSA-N 1 1 282.344 1.722 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000840126537 936939324 /nfs/dbraw/zinc/93/93/24/936939324.db2.gz PNOQEBYELSNRHW-CABZTGNLSA-N 1 1 282.344 1.722 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672005 936956815 /nfs/dbraw/zinc/95/68/15/936956815.db2.gz AULFRKPRNVRRBW-HBNTYKKESA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672005 936956817 /nfs/dbraw/zinc/95/68/17/936956817.db2.gz AULFRKPRNVRRBW-HBNTYKKESA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672005 936956819 /nfs/dbraw/zinc/95/68/19/936956819.db2.gz AULFRKPRNVRRBW-HBNTYKKESA-N 1 1 256.302 1.069 20 5 CDBDMO Cc1ccc(NCCNc2c(C)cncc2[N+](=O)[O-])[nH+]c1 ZINC001119977435 925584516 /nfs/dbraw/zinc/58/45/16/925584516.db2.gz PSTWZKDLDHJWSC-UHFFFAOYSA-N 1 1 287.323 1.948 20 5 CDBDMO C[N@H+](C[C@H]1CCCOC1)Cn1nccc1[N+](=O)[O-] ZINC000107672083 926904576 /nfs/dbraw/zinc/90/45/76/926904576.db2.gz VYZPAWWXKHFGIQ-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1nccc1[N+](=O)[O-] ZINC000107672083 926904584 /nfs/dbraw/zinc/90/45/84/926904584.db2.gz VYZPAWWXKHFGIQ-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169006954 927611879 /nfs/dbraw/zinc/61/18/79/927611879.db2.gz KOLVKFYOMRLKSJ-SYQHCUMBSA-N 1 1 270.373 1.915 20 5 CDBDMO C[N@@H+](Cc1cnccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037450 927647022 /nfs/dbraw/zinc/64/70/22/927647022.db2.gz RXABYTJUFFMNAO-JQWIXIFHSA-N 1 1 250.302 1.354 20 5 CDBDMO CCC[N@@H+](CC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039706 927649714 /nfs/dbraw/zinc/64/97/14/927649714.db2.gz SNHFKXJKIKBRCU-NWDGAFQWSA-N 1 1 272.345 1.707 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039887 927653168 /nfs/dbraw/zinc/65/31/68/927653168.db2.gz VJQGJFYWLCCTAO-TUAOUCFPSA-N 1 1 270.329 1.459 20 5 CDBDMO CCOc1nc(N2CC[C@H]2[NH2+]C)ccc1[N+](=O)[O-] ZINC001156659585 928893472 /nfs/dbraw/zinc/89/34/72/928893472.db2.gz MNHRUHRCODQHGK-VIFPVBQESA-N 1 1 252.274 1.144 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000859971451 929097761 /nfs/dbraw/zinc/09/77/61/929097761.db2.gz BHPFCNVZMHLHIG-WVSHTKLVSA-N 1 1 295.295 1.706 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000859971451 929097775 /nfs/dbraw/zinc/09/77/75/929097775.db2.gz BHPFCNVZMHLHIG-WVSHTKLVSA-N 1 1 295.295 1.706 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884483260 930582589 /nfs/dbraw/zinc/58/25/89/930582589.db2.gz QLYAEUPUOMKKGJ-GHMZBOCLSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000884483260 930582597 /nfs/dbraw/zinc/58/25/97/930582597.db2.gz QLYAEUPUOMKKGJ-GHMZBOCLSA-N 1 1 266.301 1.250 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134675 930812763 /nfs/dbraw/zinc/81/27/63/930812763.db2.gz YKQOYFNESPYRSH-LBPRGKRZSA-N 1 1 251.286 1.337 20 5 CDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886201838 930823964 /nfs/dbraw/zinc/82/39/64/930823964.db2.gz SPIVAMVJLKJHBG-PHIMTYICSA-N 1 1 251.286 1.599 20 5 CDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886201838 930823967 /nfs/dbraw/zinc/82/39/67/930823967.db2.gz SPIVAMVJLKJHBG-PHIMTYICSA-N 1 1 251.286 1.599 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000929796359 933271462 /nfs/dbraw/zinc/27/14/62/933271462.db2.gz ABVDHOYTIASZTB-CYBMUJFWSA-N 1 1 250.298 1.245 20 5 CDBDMO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000929993351 933293145 /nfs/dbraw/zinc/29/31/45/933293145.db2.gz BTLXJEXWDUVGHA-WDEREUQCSA-N 1 1 287.360 1.498 20 5 CDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000929993351 933293154 /nfs/dbraw/zinc/29/31/54/933293154.db2.gz BTLXJEXWDUVGHA-WDEREUQCSA-N 1 1 287.360 1.498 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062006 933306272 /nfs/dbraw/zinc/30/62/72/933306272.db2.gz XCXPYGCLHAHJGZ-IINYFYTJSA-N 1 1 280.324 1.301 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062006 933306284 /nfs/dbraw/zinc/30/62/84/933306284.db2.gz XCXPYGCLHAHJGZ-IINYFYTJSA-N 1 1 280.324 1.301 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000930092510 933314589 /nfs/dbraw/zinc/31/45/89/933314589.db2.gz ALZXNZXJZSFULZ-GFCCVEGCSA-N 1 1 274.324 1.777 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932006281 933649305 /nfs/dbraw/zinc/64/93/05/933649305.db2.gz JJBACSWYZVIQPY-SNVBAGLBSA-N 1 1 296.298 1.929 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219416 934803993 /nfs/dbraw/zinc/80/39/93/934803993.db2.gz DYFNRPDVFULDOI-WQAKAFBOSA-N 1 1 266.297 1.083 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718991198 934838454 /nfs/dbraw/zinc/83/84/54/934838454.db2.gz ZWMBQTYGFWIGJT-LLVKDONJSA-N 1 1 296.298 1.929 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717338 935944131 /nfs/dbraw/zinc/94/41/31/935944131.db2.gz FNGRPGGVCBKKQC-SWHYSGLUSA-N 1 1 280.324 1.331 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156624005 938396687 /nfs/dbraw/zinc/39/66/87/938396687.db2.gz HXZGQCRGSJJZMV-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO COc1nc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158494463 938629832 /nfs/dbraw/zinc/62/98/32/938629832.db2.gz JXCAKBRNACKNRQ-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO Cc1nc(N2CC[N@H+](C(C)C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001158501182 938630499 /nfs/dbraw/zinc/63/04/99/938630499.db2.gz NJJNGCLUWZPXSZ-JTQLQIEISA-N 1 1 279.344 1.612 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001159783986 938752513 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COC(=O)[C@H](O[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638878 941689236 /nfs/dbraw/zinc/68/92/36/941689236.db2.gz ABWVCUZTILHDEE-ZWNOBZJWSA-N 1 1 294.307 1.530 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656501 942349095 /nfs/dbraw/zinc/34/90/95/942349095.db2.gz FULZVQJCGFMHEJ-VIFPVBQESA-N 1 1 252.274 1.248 20 5 CDBDMO CC(=O)c1cccc(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001229130874 942423020 /nfs/dbraw/zinc/42/30/20/942423020.db2.gz FEOJMRAEWNNVHR-JTQLQIEISA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1cccc(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001229130874 942423023 /nfs/dbraw/zinc/42/30/23/942423023.db2.gz FEOJMRAEWNNVHR-JTQLQIEISA-N 1 1 264.281 1.880 20 5 CDBDMO Cc1nc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375788 942460396 /nfs/dbraw/zinc/46/03/96/942460396.db2.gz LYMRBNCRUZJZQG-SECBINFHSA-N 1 1 282.300 1.262 20 5 CDBDMO Cc1nc(O[C@@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375788 942460398 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C[N@@H+](CCOc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157358505 188312027 /nfs/dbraw/zinc/31/20/27/188312027.db2.gz HBUVGQSDFSUDOT-UHFFFAOYSA-N 1 1 290.323 1.802 20 5 CDBDMO C[C@@H](C1CC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159723917 363231652 /nfs/dbraw/zinc/23/16/52/363231652.db2.gz XBBXHHWBJNTOST-JTQLQIEISA-N 1 1 265.313 1.487 20 5 CDBDMO Cc1ccnc(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000271787073 191326159 /nfs/dbraw/zinc/32/61/59/191326159.db2.gz INGHPXYWGYYONM-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO Cc1nnc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)s1 ZINC000273616777 192231521 /nfs/dbraw/zinc/23/15/21/192231521.db2.gz PQMNFWLGCQCFNH-SSDOTTSWSA-N 1 1 282.329 1.302 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1C ZINC000584105076 366275237 /nfs/dbraw/zinc/27/52/37/366275237.db2.gz BPZWNNAPIDJTKS-VIFPVBQESA-N 1 1 267.333 1.260 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1C ZINC000584105076 366275251 /nfs/dbraw/zinc/27/52/51/366275251.db2.gz 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ZINC000189431720 358010367 /nfs/dbraw/zinc/01/03/67/358010367.db2.gz YUJZMMGHAZLAEF-UHFFFAOYSA-N 1 1 297.355 1.984 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286885311 358023822 /nfs/dbraw/zinc/02/38/22/358023822.db2.gz AMUQEFYFHVIJIO-SNVBAGLBSA-N 1 1 293.327 1.065 20 5 CDBDMO C[C@H]1CCNC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011841 358069065 /nfs/dbraw/zinc/06/90/65/358069065.db2.gz JMEWHZSUOWZDEK-SMDDNHRTSA-N 1 1 263.341 1.725 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361657646 358403243 /nfs/dbraw/zinc/40/32/43/358403243.db2.gz DDOBPDXNGPJMIM-ZYHUDNBSSA-N 1 1 250.298 1.655 20 5 CDBDMO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105790720 358986236 /nfs/dbraw/zinc/98/62/36/358986236.db2.gz VOFDECWERPDPMP-CHWSQXEVSA-N 1 1 293.367 1.876 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342580429 359119646 /nfs/dbraw/zinc/11/96/46/359119646.db2.gz DSOVVCRAOPMJHJ-JTQLQIEISA-N 1 1 268.317 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342580429 359119650 /nfs/dbraw/zinc/11/96/50/359119650.db2.gz DSOVVCRAOPMJHJ-JTQLQIEISA-N 1 1 268.317 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000408343084 359670154 /nfs/dbraw/zinc/67/01/54/359670154.db2.gz NGBNGWMZGNVFHK-GHMZBOCLSA-N 1 1 279.344 1.249 20 5 CDBDMO CC(C)(O)C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000297364440 200164349 /nfs/dbraw/zinc/16/43/49/200164349.db2.gz HWSSZIVUUUWZPN-UHFFFAOYSA-N 1 1 250.298 1.798 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 ZINC000265174178 360217998 /nfs/dbraw/zinc/21/79/98/360217998.db2.gz HSKLMMBDVPINCX-LLVKDONJSA-N 1 1 280.328 1.431 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839493 360358103 /nfs/dbraw/zinc/35/81/03/360358103.db2.gz VNUSRCLBKBVCGK-ZYHUDNBSSA-N 1 1 250.298 1.798 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C)n1 ZINC000178185661 189096162 /nfs/dbraw/zinc/09/61/62/189096162.db2.gz CYVYLISLSCRHNS-SNVBAGLBSA-N 1 1 250.302 1.804 20 5 CDBDMO Cc1nn(C)c(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000575132448 360878466 /nfs/dbraw/zinc/87/84/66/360878466.db2.gz OUPSHVABFHNCPL-JTQLQIEISA-N 1 1 293.371 1.557 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345509744 361080507 /nfs/dbraw/zinc/08/05/07/361080507.db2.gz VMNGZCOZSBCDCY-LLVKDONJSA-N 1 1 296.371 1.784 20 5 CDBDMO COCC[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000134385712 361580665 /nfs/dbraw/zinc/58/06/65/361580665.db2.gz VBAPBTVCEWXIFJ-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000134385712 361580669 /nfs/dbraw/zinc/58/06/69/361580669.db2.gz VBAPBTVCEWXIFJ-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO O=[N+]([O-])c1ccsc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301940650 201270868 /nfs/dbraw/zinc/27/08/68/201270868.db2.gz UUWRZEHXFSMHPW-NSHDSACASA-N 1 1 297.380 1.815 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000268273658 364605833 /nfs/dbraw/zinc/60/58/33/364605833.db2.gz VTERAJLSAKTZAN-SCZZXKLOSA-N 1 1 279.296 1.400 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3cccnc3)C2)n1 ZINC000564208606 365389969 /nfs/dbraw/zinc/38/99/69/365389969.db2.gz MHMHENREKSMFMY-ZDUSSCGKSA-N 1 1 287.323 1.676 20 5 CDBDMO CC1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)COC1 ZINC000459517883 366910088 /nfs/dbraw/zinc/91/00/88/366910088.db2.gz VVEIBGXBGXNBER-UHFFFAOYSA-N 1 1 292.339 1.148 20 5 CDBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271015697 366954102 /nfs/dbraw/zinc/95/41/02/366954102.db2.gz RCKDYJFYOSSGLY-FNORWQNLSA-N 1 1 250.298 1.922 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000139516426 368623641 /nfs/dbraw/zinc/62/36/41/368623641.db2.gz LBDCBGFNPGWIRY-GFCCVEGCSA-N 1 1 292.339 1.488 20 5 CDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330675287 203104296 /nfs/dbraw/zinc/10/42/96/203104296.db2.gz RRSKZGXMDCOVKF-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330675287 203104297 /nfs/dbraw/zinc/10/42/97/203104297.db2.gz RRSKZGXMDCOVKF-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330676766 203106892 /nfs/dbraw/zinc/10/68/92/203106892.db2.gz UQGKYIOBFQJIIL-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330676766 203106896 /nfs/dbraw/zinc/10/68/96/203106896.db2.gz UQGKYIOBFQJIIL-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000420613694 244280635 /nfs/dbraw/zinc/28/06/35/244280635.db2.gz SMELXBACSPNITA-GXSJLCMTSA-N 1 1 292.339 1.588 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000330846909 203306472 /nfs/dbraw/zinc/30/64/72/203306472.db2.gz OHRPUMTXAPNVSP-LBPRGKRZSA-N 1 1 268.338 1.505 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000330846909 203306474 /nfs/dbraw/zinc/30/64/74/203306474.db2.gz OHRPUMTXAPNVSP-LBPRGKRZSA-N 1 1 268.338 1.505 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000330925299 203393851 /nfs/dbraw/zinc/39/38/51/203393851.db2.gz GZGZAFSEKMYEHE-SNVBAGLBSA-N 1 1 297.330 1.878 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](C1CC1)C1COC1 ZINC000295344722 370022579 /nfs/dbraw/zinc/02/25/79/370022579.db2.gz IGVPJDWXVHXGBR-UHFFFAOYSA-N 1 1 278.308 1.837 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C1CC1)C1COC1 ZINC000295344722 370022581 /nfs/dbraw/zinc/02/25/81/370022581.db2.gz IGVPJDWXVHXGBR-UHFFFAOYSA-N 1 1 278.308 1.837 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000275048513 372305721 /nfs/dbraw/zinc/30/57/21/372305721.db2.gz UTLNYEQJJXPROS-NSHDSACASA-N 1 1 292.339 1.976 20 5 CDBDMO CC[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266423277 372781174 /nfs/dbraw/zinc/78/11/74/372781174.db2.gz JGVONIMNNCPCAG-LBPRGKRZSA-N 1 1 270.333 1.130 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)nc1 ZINC000113466076 374257794 /nfs/dbraw/zinc/25/77/94/374257794.db2.gz WZJSCKALHRAEPO-UHFFFAOYSA-N 1 1 292.339 1.291 20 5 CDBDMO C[N@@H+](CCn1cccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000066421205 374325767 /nfs/dbraw/zinc/32/57/67/374325767.db2.gz SYRBTKSOOWYFQN-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000371208092 374412659 /nfs/dbraw/zinc/41/26/59/374412659.db2.gz NKUVGEWRPFMIEA-UHFFFAOYSA-N 1 1 295.343 1.048 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000371340094 374416534 /nfs/dbraw/zinc/41/65/34/374416534.db2.gz AZQKYSJALYXZLY-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000371340094 374416542 /nfs/dbraw/zinc/41/65/42/374416542.db2.gz AZQKYSJALYXZLY-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[NH2+]CCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000124992854 374880913 /nfs/dbraw/zinc/88/09/13/374880913.db2.gz VJRQVVRGQGALKA-UHFFFAOYSA-N 1 1 251.330 1.679 20 5 CDBDMO COC(=O)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331044326 374880955 /nfs/dbraw/zinc/88/09/55/374880955.db2.gz DYJNRGIODVUHFP-UHFFFAOYSA-N 1 1 296.327 1.103 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827803 375025853 /nfs/dbraw/zinc/02/58/53/375025853.db2.gz VRDJPPLFOCSONF-AWEZNQCLSA-N 1 1 293.323 1.171 20 5 CDBDMO CCN(CC)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282458187 375085480 /nfs/dbraw/zinc/08/54/80/375085480.db2.gz MJUWSKCDQZRKFR-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CCN(CC)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282458187 375085485 /nfs/dbraw/zinc/08/54/85/375085485.db2.gz MJUWSKCDQZRKFR-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CC(C)CNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282481557 375087836 /nfs/dbraw/zinc/08/78/36/375087836.db2.gz OXBIGMCHWIYQQD-UHFFFAOYSA-N 1 1 293.367 1.841 20 5 CDBDMO CC(C)CNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282481557 375087842 /nfs/dbraw/zinc/08/78/42/375087842.db2.gz OXBIGMCHWIYQQD-UHFFFAOYSA-N 1 1 293.367 1.841 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000131289810 375215321 /nfs/dbraw/zinc/21/53/21/375215321.db2.gz PSIIFFDXCVATOY-UHFFFAOYSA-N 1 1 253.302 1.487 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000351491334 375303458 /nfs/dbraw/zinc/30/34/58/375303458.db2.gz JOLNWLKSDYVIPR-KCPJHIHWSA-N 1 1 291.351 1.643 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000304287126 375425175 /nfs/dbraw/zinc/42/51/75/375425175.db2.gz AZIRIETYXCBWPB-KGLIPLIRSA-N 1 1 294.355 1.417 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304283263 375425232 /nfs/dbraw/zinc/42/52/32/375425232.db2.gz FEHBYNBHBDLMEG-CYBMUJFWSA-N 1 1 282.344 1.417 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353486317 375616517 /nfs/dbraw/zinc/61/65/17/375616517.db2.gz XHLGCALALCWTBI-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354601893 375732095 /nfs/dbraw/zinc/73/20/95/375732095.db2.gz WHOLDMWNQRPCDE-GHMZBOCLSA-N 1 1 279.344 1.694 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114228 375952088 /nfs/dbraw/zinc/95/20/88/375952088.db2.gz FVCPUXXGOYWNHZ-DRDHIDPGSA-N 1 1 291.351 1.264 20 5 CDBDMO CN1CC[C@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000358114228 375952095 /nfs/dbraw/zinc/95/20/95/375952095.db2.gz FVCPUXXGOYWNHZ-DRDHIDPGSA-N 1 1 291.351 1.264 20 5 CDBDMO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959854 /nfs/dbraw/zinc/95/98/54/375959854.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959863 /nfs/dbraw/zinc/95/98/63/375959863.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 1 1 279.340 1.312 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000194687705 375949400 /nfs/dbraw/zinc/94/94/00/375949400.db2.gz SUTMVOUHDQBXAA-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000160868775 376315272 /nfs/dbraw/zinc/31/52/72/376315272.db2.gz VKYYUBRLMONBDK-UHFFFAOYSA-N 1 1 295.295 1.850 20 5 CDBDMO COc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487034743 376569453 /nfs/dbraw/zinc/56/94/53/376569453.db2.gz FJOYSEMZAVEERQ-KOLCDFICSA-N 1 1 293.323 1.740 20 5 CDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000171808598 377055319 /nfs/dbraw/zinc/05/53/19/377055319.db2.gz ZGVHFWGUFRDTKX-QMMMGPOBSA-N 1 1 295.343 1.093 20 5 CDBDMO COC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172889781 377787285 /nfs/dbraw/zinc/78/72/85/377787285.db2.gz POVXFIJIENIXHT-CQSZACIVSA-N 1 1 280.324 1.485 20 5 CDBDMO COC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172889781 377787290 /nfs/dbraw/zinc/78/72/90/377787290.db2.gz POVXFIJIENIXHT-CQSZACIVSA-N 1 1 280.324 1.485 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CO)C1 ZINC000266915713 378666623 /nfs/dbraw/zinc/66/66/23/378666623.db2.gz KLFFTJLRJWFWEN-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC000266915713 378666628 /nfs/dbraw/zinc/66/66/28/378666628.db2.gz KLFFTJLRJWFWEN-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000173704222 378915132 /nfs/dbraw/zinc/91/51/32/378915132.db2.gz ZIEHAWGKQUZWDP-AWEZNQCLSA-N 1 1 288.307 1.168 20 5 CDBDMO Cc1n[nH]cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446831725 250317572 /nfs/dbraw/zinc/31/75/72/250317572.db2.gz HVLDXJYADUTDJF-UHFFFAOYSA-N 1 1 286.295 1.792 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(F)c1 ZINC000267026554 379386718 /nfs/dbraw/zinc/38/67/18/379386718.db2.gz LNZONDJVTSPDAH-SNVBAGLBSA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(F)c1 ZINC000267026554 379386723 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COCC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000105791005 390519259 /nfs/dbraw/zinc/51/92/59/390519259.db2.gz PIFNURQJWXUMSU-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO COCC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000105791005 390519264 /nfs/dbraw/zinc/51/92/64/390519264.db2.gz PIFNURQJWXUMSU-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000408067111 391230167 /nfs/dbraw/zinc/23/01/67/391230167.db2.gz AVYDIAQGSGRFCO-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000408067111 391230170 /nfs/dbraw/zinc/23/01/70/391230170.db2.gz AVYDIAQGSGRFCO-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204359 391295942 /nfs/dbraw/zinc/29/59/42/391295942.db2.gz JLDXIYSPELGGQX-LDYMZIIASA-N 1 1 295.364 1.869 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186739230 391578447 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/nfs/dbraw/zinc/02/71/45/244027145.db2.gz FTQMLVQKPOQFKB-SNVBAGLBSA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@H](CN)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420286178 244027149 /nfs/dbraw/zinc/02/71/49/244027149.db2.gz FTQMLVQKPOQFKB-SNVBAGLBSA-N 1 1 280.328 1.202 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000075718739 369445784 /nfs/dbraw/zinc/44/57/84/369445784.db2.gz YNXXZPIUEMXBIN-AWEZNQCLSA-N 1 1 294.355 1.559 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000367983043 371268565 /nfs/dbraw/zinc/26/85/65/371268565.db2.gz MRFFHOFUXJYCFC-NSHDSACASA-N 1 1 293.323 1.171 20 5 CDBDMO Cc1ccc(CN[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168768032 371432595 /nfs/dbraw/zinc/43/25/95/371432595.db2.gz IIEQVTQPRUKCQZ-NSHDSACASA-N 1 1 251.330 1.943 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000049096277 372909222 /nfs/dbraw/zinc/90/92/22/372909222.db2.gz VOISDGGOUGDFGE-GFCCVEGCSA-N 1 1 277.324 1.348 20 5 CDBDMO CC(C)[N@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356516287 372913132 /nfs/dbraw/zinc/91/31/32/372913132.db2.gz SSVILZRCZGDSOM-UHFFFAOYSA-N 1 1 281.312 1.370 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356516287 372913137 /nfs/dbraw/zinc/91/31/37/372913137.db2.gz SSVILZRCZGDSOM-UHFFFAOYSA-N 1 1 281.312 1.370 20 5 CDBDMO COCC[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000164288146 373030539 /nfs/dbraw/zinc/03/05/39/373030539.db2.gz MQHUOPIVLHHZDC-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(F)cc3C2)n1 ZINC000133940265 374016807 /nfs/dbraw/zinc/01/68/07/374016807.db2.gz BKGMJPMAZBHNMI-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(F)cc3C2)n1 ZINC000133940265 374016812 /nfs/dbraw/zinc/01/68/12/374016812.db2.gz BKGMJPMAZBHNMI-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](CC)CC1 ZINC000619480935 374124825 /nfs/dbraw/zinc/12/48/25/374124825.db2.gz OIWUYUHETGALHL-UHFFFAOYSA-N 1 1 281.360 1.652 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000113503708 374262068 /nfs/dbraw/zinc/26/20/68/374262068.db2.gz UOTNYVQIMHAYFV-NSHDSACASA-N 1 1 252.270 1.040 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000225345063 374243430 /nfs/dbraw/zinc/24/34/30/374243430.db2.gz XRSUNSGSIQXGQG-JTQLQIEISA-N 1 1 282.319 1.392 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000066137734 374304861 /nfs/dbraw/zinc/30/48/61/374304861.db2.gz XGUKMEJKUOWFIG-SNVBAGLBSA-N 1 1 294.355 1.637 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377605029 374612845 /nfs/dbraw/zinc/61/28/45/374612845.db2.gz KFIYPJLLMDIEJG-SECBINFHSA-N 1 1 297.742 1.946 20 5 CDBDMO Cc1nn(C[C@@H](O)C[N@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000388842987 374695215 /nfs/dbraw/zinc/69/52/15/374695215.db2.gz YFVMOFZYZWXEIZ-NSHDSACASA-N 1 1 270.333 1.109 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)nc1 ZINC000277336373 374782417 /nfs/dbraw/zinc/78/24/17/374782417.db2.gz FEMSIHQNCHGFJO-LLVKDONJSA-N 1 1 277.328 1.814 20 5 CDBDMO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774530 374846632 /nfs/dbraw/zinc/84/66/32/374846632.db2.gz SOMDALIWQIHDEI-UHFFFAOYSA-N 1 1 295.314 1.692 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280119909 374981520 /nfs/dbraw/zinc/98/15/20/374981520.db2.gz PXVZIWXBHJHURF-LBPRGKRZSA-N 1 1 268.317 1.028 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000227193956 375462590 /nfs/dbraw/zinc/46/25/90/375462590.db2.gz HXMUQALIGKOKHN-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@H]1O ZINC000305810562 375659446 /nfs/dbraw/zinc/65/94/46/375659446.db2.gz LZFRCEMZGKYSLR-DGCLKSJQSA-N 1 1 282.344 1.274 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000263733555 190076131 /nfs/dbraw/zinc/07/61/31/190076131.db2.gz MFOHKKMPAXWBOG-NSHDSACASA-N 1 1 293.323 1.314 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000073991931 376748516 /nfs/dbraw/zinc/74/85/16/376748516.db2.gz NJLKQIBSROPAEZ-NWDGAFQWSA-N 1 1 289.335 1.904 20 5 CDBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000173306779 378123247 /nfs/dbraw/zinc/12/32/47/378123247.db2.gz SAOXFUBZTSJZEE-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000266061603 190227393 /nfs/dbraw/zinc/22/73/93/190227393.db2.gz ZHPPTKCHPQLTNT-NSHDSACASA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000357570639 378304772 /nfs/dbraw/zinc/30/47/72/378304772.db2.gz ODLIWGMKWJGJKU-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000357570639 378304776 /nfs/dbraw/zinc/30/47/76/378304776.db2.gz ODLIWGMKWJGJKU-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000173483638 378476784 /nfs/dbraw/zinc/47/67/84/378476784.db2.gz ICTGMEZSUPCSEI-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO CCC[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173528037 378526169 /nfs/dbraw/zinc/52/61/69/378526169.db2.gz OFQQXIREXRRYIF-UHFFFAOYSA-N 1 1 298.339 1.687 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444273218 250114557 /nfs/dbraw/zinc/11/45/57/250114557.db2.gz ZUGGVQULBIVZGY-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444273218 250114560 /nfs/dbraw/zinc/11/45/60/250114560.db2.gz ZUGGVQULBIVZGY-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444273218 250114563 /nfs/dbraw/zinc/11/45/63/250114563.db2.gz ZUGGVQULBIVZGY-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC[C@H](C)O ZINC000266723485 190277322 /nfs/dbraw/zinc/27/73/22/190277322.db2.gz IBCRMLBLRHPHDN-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267379657 190325847 /nfs/dbraw/zinc/32/58/47/190325847.db2.gz AQYIZTVTMOVTLX-LLVKDONJSA-N 1 1 290.327 1.394 20 5 CDBDMO CCOCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093316931 184664024 /nfs/dbraw/zinc/66/40/24/184664024.db2.gz YCLXJSUQVSBRDH-UHFFFAOYSA-N 1 1 281.312 1.162 20 5 CDBDMO CCOCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093316931 184664025 /nfs/dbraw/zinc/66/40/25/184664025.db2.gz YCLXJSUQVSBRDH-UHFFFAOYSA-N 1 1 281.312 1.162 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000366609953 285154894 /nfs/dbraw/zinc/15/48/94/285154894.db2.gz FGNSTBWPWFTUQI-JTQLQIEISA-N 1 1 297.742 1.769 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000366609953 285154900 /nfs/dbraw/zinc/15/49/00/285154900.db2.gz FGNSTBWPWFTUQI-JTQLQIEISA-N 1 1 297.742 1.769 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000158380540 390682849 /nfs/dbraw/zinc/68/28/49/390682849.db2.gz XQUQXUHNOGWLPB-GHMZBOCLSA-N 1 1 293.371 1.929 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425723 390966553 /nfs/dbraw/zinc/96/65/53/390966553.db2.gz ORMKZBCUPXJJHK-GXFFZTMASA-N 1 1 293.323 1.379 20 5 CDBDMO COC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452034677 390980829 /nfs/dbraw/zinc/98/08/29/390980829.db2.gz FCYXSNZMRKBVOA-SNVBAGLBSA-N 1 1 268.317 1.329 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000452034677 390980830 /nfs/dbraw/zinc/98/08/30/390980830.db2.gz FCYXSNZMRKBVOA-SNVBAGLBSA-N 1 1 268.317 1.329 20 5 CDBDMO CN(C)C[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658213 390985457 /nfs/dbraw/zinc/98/54/57/390985457.db2.gz ANYMILRONJOGMK-ZFWWWQNUSA-N 1 1 293.367 1.484 20 5 CDBDMO Cc1cnc(N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989229 391334880 /nfs/dbraw/zinc/33/48/80/391334880.db2.gz NXSOHWRIEVMYDN-LBPRGKRZSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1cc(NC(=O)NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000415445277 391443071 /nfs/dbraw/zinc/44/30/71/391443071.db2.gz VWGYUZJTXLITOT-UHFFFAOYSA-N 1 1 288.254 1.619 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913397 393031394 /nfs/dbraw/zinc/03/13/94/393031394.db2.gz GHWVQVHQAWFBAX-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@H+]1C1CC1 ZINC000531005132 393057541 /nfs/dbraw/zinc/05/75/41/393057541.db2.gz DOKUCUZXAODXPM-NXEZZACHSA-N 1 1 292.339 1.288 20 5 CDBDMO CC[C@@](C)(O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709406 393228732 /nfs/dbraw/zinc/22/87/32/393228732.db2.gz LGTJCNOUXOWRFT-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[C@@](C)(O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709406 393228735 /nfs/dbraw/zinc/22/87/35/393228735.db2.gz LGTJCNOUXOWRFT-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196751 135104462 /nfs/dbraw/zinc/10/44/62/135104462.db2.gz AIUIVIZJILYMRI-NEPJUHHUSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275336561 135105089 /nfs/dbraw/zinc/10/50/89/135105089.db2.gz GUZLISAGCICIGK-GHMZBOCLSA-N 1 1 297.330 1.625 20 5 CDBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667289 140322240 /nfs/dbraw/zinc/32/22/40/140322240.db2.gz IEHVBBOTWJJUCH-UONOGXRCSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252844315 140327061 /nfs/dbraw/zinc/32/70/61/140327061.db2.gz BSNAVDTYGMAOFZ-VHRBIJSZSA-N 1 1 262.309 1.798 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149943 148287329 /nfs/dbraw/zinc/28/73/29/148287329.db2.gz ONAUQTIPOPPMHY-VHSXEESVSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149943 148287331 /nfs/dbraw/zinc/28/73/31/148287331.db2.gz ONAUQTIPOPPMHY-VHSXEESVSA-N 1 1 268.288 1.937 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000310636917 149197079 /nfs/dbraw/zinc/19/70/79/149197079.db2.gz RDZGJZLPNUYOMR-GFCCVEGCSA-N 1 1 250.298 1.942 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549684 155264381 /nfs/dbraw/zinc/26/43/81/155264381.db2.gz FPWQBSHYEKRUKW-ZDUSSCGKSA-N 1 1 282.340 1.467 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352661701 155332592 /nfs/dbraw/zinc/33/25/92/155332592.db2.gz YNANEQUDCCAITG-CHWSQXEVSA-N 1 1 250.298 1.940 20 5 CDBDMO CCc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000352209807 155025767 /nfs/dbraw/zinc/02/57/67/155025767.db2.gz DYHDWVAOSJPURX-UHFFFAOYSA-N 1 1 291.351 1.980 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352213262 155028019 /nfs/dbraw/zinc/02/80/19/155028019.db2.gz UCTLAUVVMFZUNQ-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359321172 158214460 /nfs/dbraw/zinc/21/44/60/158214460.db2.gz VKUGTWMEWMTMJK-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000359652571 158324402 /nfs/dbraw/zinc/32/44/02/158324402.db2.gz TWUMYEPFOXNPCM-SNVBAGLBSA-N 1 1 290.327 1.743 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000374544254 160294280 /nfs/dbraw/zinc/29/42/80/160294280.db2.gz DYSRRXXINDKHRS-GFCCVEGCSA-N 1 1 272.308 1.965 20 5 CDBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887055 287105359 /nfs/dbraw/zinc/10/53/59/287105359.db2.gz IXYXDCQZJWYUOV-VXGBXAGGSA-N 1 1 296.371 1.844 20 5 CDBDMO C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000020501976 171227714 /nfs/dbraw/zinc/22/77/14/171227714.db2.gz FLPUGKLQFTUHHX-BQYQJAHWSA-N 1 1 289.335 1.772 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000037404474 173180539 /nfs/dbraw/zinc/18/05/39/173180539.db2.gz HLLHBJZYDQYNIB-SNVBAGLBSA-N 1 1 262.313 1.886 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000090551914 260462294 /nfs/dbraw/zinc/46/22/94/260462294.db2.gz BVTFZBJPAZYGSH-BETUJISGSA-N 1 1 291.351 1.879 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105790475 274271422 /nfs/dbraw/zinc/27/14/22/274271422.db2.gz KNEGWFOQTQBQFS-VXGBXAGGSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292819157 288257855 /nfs/dbraw/zinc/25/78/55/288257855.db2.gz OWCJVNZTLJBTJY-AOOOYVTPSA-N 1 1 264.329 1.706 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021065 281115219 /nfs/dbraw/zinc/11/52/19/281115219.db2.gz NKKJUPNKUXVSGY-CMPLNLGQSA-N 1 1 294.355 1.346 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000357657947 281260287 /nfs/dbraw/zinc/26/02/87/281260287.db2.gz FZLHOKRMEYNLNT-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000583739609 325231416 /nfs/dbraw/zinc/23/14/16/325231416.db2.gz CSRRAHPTQFIKGW-ZJUUUORDSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000583739609 325231418 /nfs/dbraw/zinc/23/14/18/325231418.db2.gz CSRRAHPTQFIKGW-ZJUUUORDSA-N 1 1 298.318 1.020 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298831 1160257237 /nfs/dbraw/zinc/25/72/37/1160257237.db2.gz FDCKSTXBULTNGR-VIFPVBQESA-N 1 1 265.317 1.468 20 5 CDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156411031 519613384 /nfs/dbraw/zinc/61/33/84/519613384.db2.gz ZPFWDHDBVRZSQT-AWEZNQCLSA-N 1 1 291.351 1.895 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061380261 523595997 /nfs/dbraw/zinc/59/59/97/523595997.db2.gz SGZOVFUKCKFDBY-UHFFFAOYSA-N 1 1 299.302 1.042 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+](C)C1CC1 ZINC000068219666 524718801 /nfs/dbraw/zinc/71/88/01/524718801.db2.gz LNZUHRCWGDDJGY-QMMMGPOBSA-N 1 1 267.285 1.400 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000157350774 525263363 /nfs/dbraw/zinc/26/33/63/525263363.db2.gz BQZBOHNXPVCRQS-ZJUUUORDSA-N 1 1 292.339 1.390 20 5 CDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000748346972 574518531 /nfs/dbraw/zinc/51/85/31/574518531.db2.gz TYYAAJFJCPLHBY-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000748346972 574518533 /nfs/dbraw/zinc/51/85/33/574518533.db2.gz TYYAAJFJCPLHBY-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000771401448 575575022 /nfs/dbraw/zinc/57/50/22/575575022.db2.gz DVZOWBBLZAWWSM-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000771401448 575575024 /nfs/dbraw/zinc/57/50/24/575575024.db2.gz DVZOWBBLZAWWSM-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749949547 576969325 /nfs/dbraw/zinc/96/93/25/576969325.db2.gz XGIGUBAEVNXSQU-VIFPVBQESA-N 1 1 275.312 1.947 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000891793348 617592853 /nfs/dbraw/zinc/59/28/53/617592853.db2.gz KKOAQXPRARYSHD-JTQLQIEISA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000891793348 617592856 /nfs/dbraw/zinc/59/28/56/617592856.db2.gz KKOAQXPRARYSHD-JTQLQIEISA-N 1 1 282.296 1.266 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892986169 618021373 /nfs/dbraw/zinc/02/13/73/618021373.db2.gz UHZAMZNARJEIAM-SECBINFHSA-N 1 1 276.300 1.056 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC1=CC[N@@H+](C)CC1 ZINC000893099895 618164837 /nfs/dbraw/zinc/16/48/37/618164837.db2.gz UXPIEOMYXGSGQJ-UHFFFAOYSA-N 1 1 251.290 1.002 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000893938223 618199516 /nfs/dbraw/zinc/19/95/16/618199516.db2.gz CIZJBCQRTWCXRB-KWQFWETISA-N 1 1 282.731 1.784 20 5 CDBDMO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CCC2)C1 ZINC000893960810 618209529 /nfs/dbraw/zinc/20/95/29/618209529.db2.gz XNAHAWBZHNEDHI-LLVKDONJSA-N 1 1 293.371 1.639 20 5 CDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928556189 619366636 /nfs/dbraw/zinc/36/66/36/619366636.db2.gz NQOIBPRFKZOWPP-JTQLQIEISA-N 1 1 293.323 1.427 20 5 CDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928556189 619366639 /nfs/dbraw/zinc/36/66/39/619366639.db2.gz NQOIBPRFKZOWPP-JTQLQIEISA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@H+](C)CCN1C ZINC000895247114 619493130 /nfs/dbraw/zinc/49/31/30/619493130.db2.gz SXJAIUKYWSRQNI-DTWKUNHWSA-N 1 1 285.373 1.098 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[N@@H+](C)CCN1C ZINC000895247114 619493132 /nfs/dbraw/zinc/49/31/32/619493132.db2.gz SXJAIUKYWSRQNI-DTWKUNHWSA-N 1 1 285.373 1.098 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000895769757 619835708 /nfs/dbraw/zinc/83/57/08/619835708.db2.gz HPHOGPRSDSKMJA-SECBINFHSA-N 1 1 273.296 1.654 20 5 CDBDMO CC1(C)CC[N@@H+](CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000897249485 620442799 /nfs/dbraw/zinc/44/27/99/620442799.db2.gz WHOLFCJWFXILTB-UHFFFAOYSA-N 1 1 265.317 1.529 20 5 CDBDMO O=C1CCCN1Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905042166 626381827 /nfs/dbraw/zinc/38/18/27/626381827.db2.gz XONLDSQWNGYSAZ-UHFFFAOYSA-N 1 1 277.324 1.175 20 5 CDBDMO COC1CCN(C2(C[NH2+]CC[N+](=O)[O-])CCCC2)CC1 ZINC000905102679 626621462 /nfs/dbraw/zinc/62/14/62/626621462.db2.gz UUPALXWIOAMWJW-UHFFFAOYSA-N 1 1 285.388 1.276 20 5 CDBDMO CC[C@H](C)Oc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905199487 626687871 /nfs/dbraw/zinc/68/78/71/626687871.db2.gz AXLRTTLASATMMG-JTQLQIEISA-N 1 1 253.302 1.625 20 5 CDBDMO CC(C)(C)Oc1ccc(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905199872 626687953 /nfs/dbraw/zinc/68/79/53/626687953.db2.gz CCSPMFKMKNFFAF-UHFFFAOYSA-N 1 1 253.302 1.625 20 5 CDBDMO O=[N+]([O-])CC[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000905246893 626702829 /nfs/dbraw/zinc/70/28/29/626702829.db2.gz JYNXAQLNGIADMH-UHFFFAOYSA-N 1 1 269.389 1.899 20 5 CDBDMO CSc1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905271231 626727267 /nfs/dbraw/zinc/72/72/67/626727267.db2.gz AWKVPDLTCADIOB-ZDUSSCGKSA-N 1 1 283.397 1.878 20 5 CDBDMO C[C@@H](c1ccc(NCC[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000905318453 626746725 /nfs/dbraw/zinc/74/67/25/626746725.db2.gz HXKCSRQAJDKQLR-LBPRGKRZSA-N 1 1 279.340 1.768 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000928570013 678839494 /nfs/dbraw/zinc/83/94/94/678839494.db2.gz PYONDHZBJNEZHZ-MRVPVSSYSA-N 1 1 255.299 1.090 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000928570013 678839499 /nfs/dbraw/zinc/83/94/99/678839499.db2.gz PYONDHZBJNEZHZ-MRVPVSSYSA-N 1 1 255.299 1.090 20 5 CDBDMO Cc1cc(C(=O)OCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000861384807 679391733 /nfs/dbraw/zinc/39/17/33/679391733.db2.gz GKVKZQOYDRPJDJ-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173491714 677765002 /nfs/dbraw/zinc/76/50/02/677765002.db2.gz DMTYNLODVLRVIR-CYBMUJFWSA-N 1 1 295.387 1.639 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000794672146 677880977 /nfs/dbraw/zinc/88/09/77/677880977.db2.gz KCNRETRHQOSBSA-GFCCVEGCSA-N 1 1 268.317 1.294 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@](C)(O)CC2)cc1[N+](=O)[O-] ZINC000794672146 677880980 /nfs/dbraw/zinc/88/09/80/677880980.db2.gz KCNRETRHQOSBSA-GFCCVEGCSA-N 1 1 268.317 1.294 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)C1 ZINC000812811977 678065173 /nfs/dbraw/zinc/06/51/73/678065173.db2.gz RGTORJALCJCDDG-SECBINFHSA-N 1 1 268.317 1.477 20 5 CDBDMO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000930720861 678104369 /nfs/dbraw/zinc/10/43/69/678104369.db2.gz UZPZEMFUNHQRCP-CYBMUJFWSA-N 1 1 263.341 1.469 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H](C)C1 ZINC000878297988 678127642 /nfs/dbraw/zinc/12/76/42/678127642.db2.gz DALWWZIOWIXTOE-SNVBAGLBSA-N 1 1 268.317 1.068 20 5 CDBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886211241 678207438 /nfs/dbraw/zinc/20/74/38/678207438.db2.gz LPAMACZJXUIZMG-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886211241 678207441 /nfs/dbraw/zinc/20/74/41/678207441.db2.gz LPAMACZJXUIZMG-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000311921985 678254614 /nfs/dbraw/zinc/25/46/14/678254614.db2.gz GTPYRMNSSVICLJ-JTQLQIEISA-N 1 1 272.276 1.425 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220244 678257761 /nfs/dbraw/zinc/25/77/61/678257761.db2.gz PUDZGWJNZMOEMN-OASPWFOLSA-N 1 1 266.297 1.083 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037314 678407091 /nfs/dbraw/zinc/40/70/91/678407091.db2.gz RZYOKAYXXCKWHS-GXTWGEPZSA-N 1 1 280.324 1.078 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000791051957 678433693 /nfs/dbraw/zinc/43/36/93/678433693.db2.gz ISBBCCTYPVQYDS-NSHDSACASA-N 1 1 287.360 1.642 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000791051957 678433695 /nfs/dbraw/zinc/43/36/95/678433695.db2.gz ISBBCCTYPVQYDS-NSHDSACASA-N 1 1 287.360 1.642 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@]1(CO)CCOC1 ZINC000801538401 678449646 /nfs/dbraw/zinc/44/96/46/678449646.db2.gz FPAOARXUEMGGRU-CYBMUJFWSA-N 1 1 284.287 1.317 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@]1(CO)CCOC1 ZINC000801538401 678449647 /nfs/dbraw/zinc/44/96/47/678449647.db2.gz FPAOARXUEMGGRU-CYBMUJFWSA-N 1 1 284.287 1.317 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000867950508 678566038 /nfs/dbraw/zinc/56/60/38/678566038.db2.gz DCYBEUFVYCBAMC-AWEZNQCLSA-N 1 1 293.323 1.018 20 5 CDBDMO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187202 678578866 /nfs/dbraw/zinc/57/88/66/678578866.db2.gz QDHFTUHHGINTDU-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187202 678578869 /nfs/dbraw/zinc/57/88/69/678578869.db2.gz QDHFTUHHGINTDU-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187202 678578874 /nfs/dbraw/zinc/57/88/74/678578874.db2.gz QDHFTUHHGINTDU-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000791055445 678609227 /nfs/dbraw/zinc/60/92/27/678609227.db2.gz UKEOHZIYWLINKB-LBPRGKRZSA-N 1 1 292.339 1.317 20 5 CDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886340156 678618172 /nfs/dbraw/zinc/61/81/72/678618172.db2.gz BVSAHGKIWQMPCU-PHIMTYICSA-N 1 1 275.308 1.875 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000826777481 678757379 /nfs/dbraw/zinc/75/73/79/678757379.db2.gz BHKKZODERQWPNU-WDEREUQCSA-N 1 1 283.372 1.563 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1 ZINC000886580227 678926979 /nfs/dbraw/zinc/92/69/79/678926979.db2.gz AMERUHZZVRDUER-BYCMXARLSA-N 1 1 292.335 1.676 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789505348 678963630 /nfs/dbraw/zinc/96/36/30/678963630.db2.gz KUNKFKDVGMFFCK-QWRGUYRKSA-N 1 1 266.301 1.392 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000789505348 678963632 /nfs/dbraw/zinc/96/36/32/678963632.db2.gz KUNKFKDVGMFFCK-QWRGUYRKSA-N 1 1 266.301 1.392 20 5 CDBDMO C[C@@H](O)[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852140 678996258 /nfs/dbraw/zinc/99/62/58/678996258.db2.gz FWJQEJHRDDGUCQ-QMTHXVAHSA-N 1 1 280.324 1.301 20 5 CDBDMO C[N@@H+](CCO)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000884824949 679062082 /nfs/dbraw/zinc/06/20/82/679062082.db2.gz WZZADPMMSSIKAB-UHFFFAOYSA-N 1 1 296.352 1.541 20 5 CDBDMO COC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000852764153 679084438 /nfs/dbraw/zinc/08/44/38/679084438.db2.gz BHPUITAFBRBSLG-UHFFFAOYSA-N 1 1 293.323 1.915 20 5 CDBDMO CC[NH2+]Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000843191734 679157812 /nfs/dbraw/zinc/15/78/12/679157812.db2.gz LIAXAQACJJMKFM-UHFFFAOYSA-N 1 1 276.296 1.987 20 5 CDBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)NC1CC1 ZINC000839098623 679169129 /nfs/dbraw/zinc/16/91/29/679169129.db2.gz NNZVFAZUPIWNKP-UHFFFAOYSA-N 1 1 283.715 1.616 20 5 CDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839676135 679396226 /nfs/dbraw/zinc/39/62/26/679396226.db2.gz UZLVVKCNPZAEKE-UXIGCNINSA-N 1 1 294.351 1.721 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000872771057 679477893 /nfs/dbraw/zinc/47/78/93/679477893.db2.gz DPLWEWIOJUZFEX-GFCCVEGCSA-N 1 1 280.328 1.513 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000872771057 679477895 /nfs/dbraw/zinc/47/78/95/679477895.db2.gz DPLWEWIOJUZFEX-GFCCVEGCSA-N 1 1 280.328 1.513 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCO)CCCO ZINC000876723510 679550040 /nfs/dbraw/zinc/55/00/40/679550040.db2.gz CJHLPMFSNIWNDX-UHFFFAOYSA-N 1 1 282.340 1.388 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856358664 679566843 /nfs/dbraw/zinc/56/68/43/679566843.db2.gz SOWHOXBSQBGMPM-BFHYXJOUSA-N 1 1 289.335 1.042 20 5 CDBDMO C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886308413 679572648 /nfs/dbraw/zinc/57/26/48/679572648.db2.gz BWWDRJWHKOCQHF-ZYHUDNBSSA-N 1 1 265.313 1.583 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931660006 679587691 /nfs/dbraw/zinc/58/76/91/679587691.db2.gz JBYACSWAGDGQGR-LLVKDONJSA-N 1 1 297.742 1.862 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C ZINC000712541874 679653088 /nfs/dbraw/zinc/65/30/88/679653088.db2.gz GDMMURHUMABVTA-VIFPVBQESA-N 1 1 253.306 1.236 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630671 719152302 /nfs/dbraw/zinc/15/23/02/719152302.db2.gz LPECWWVWVIPVDZ-JGVFFNPUSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630671 719152309 /nfs/dbraw/zinc/15/23/09/719152309.db2.gz LPECWWVWVIPVDZ-JGVFFNPUSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)C[N@H+]1C ZINC001164634365 719221442 /nfs/dbraw/zinc/22/14/42/719221442.db2.gz GOUAKPHYEVVEQX-ZJUUUORDSA-N 1 1 289.339 2.000 20 5 CDBDMO C[C@H]1CCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576744940 1167669253 /nfs/dbraw/zinc/66/92/53/1167669253.db2.gz NYUQLOMTVYGRAR-ZANVPECISA-N 1 1 263.297 1.390 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001173222168 912305502 /nfs/dbraw/zinc/30/55/02/912305502.db2.gz PRQYVKLUTJCPEM-ZLDLUXBVSA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001173224746 912317610 /nfs/dbraw/zinc/31/76/10/912317610.db2.gz GVQSDTQFZUISEU-TVYUQYBPSA-N 1 1 268.288 1.540 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001173224746 912317630 /nfs/dbraw/zinc/31/76/30/912317630.db2.gz GVQSDTQFZUISEU-TVYUQYBPSA-N 1 1 268.288 1.540 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229892 912323032 /nfs/dbraw/zinc/32/30/32/912323032.db2.gz BNYQIBIQZNHWQG-FZMZJTMJSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000695902998 900069610 /nfs/dbraw/zinc/06/96/10/900069610.db2.gz DWIQOAHNSXZADL-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000695902998 900069614 /nfs/dbraw/zinc/06/96/14/900069614.db2.gz DWIQOAHNSXZADL-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000695902998 900069624 /nfs/dbraw/zinc/06/96/24/900069624.db2.gz DWIQOAHNSXZADL-BXUZGUMPSA-N 1 1 278.356 1.641 20 5 CDBDMO COc1cnc(NCc2ccc(N)[nH+]c2C)cc1[N+](=O)[O-] ZINC001167785679 900674270 /nfs/dbraw/zinc/67/42/70/900674270.db2.gz YYQYJXRTUWHCCN-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000843145870 920329413 /nfs/dbraw/zinc/32/94/13/920329413.db2.gz YKBYYIASUWFWEX-UHFFFAOYSA-N 1 1 251.246 1.093 20 5 CDBDMO COc1cccc(-c2nnc(C[NH+](C)C)o2)c1[N+](=O)[O-] ZINC001118076457 923292704 /nfs/dbraw/zinc/29/27/04/923292704.db2.gz FJNOOIYMDWCECG-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO CCCN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968470 927590990 /nfs/dbraw/zinc/59/09/90/927590990.db2.gz ZIJFYYPPBOFSAW-JSGCOSHPSA-N 1 1 269.389 1.896 20 5 CDBDMO CCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989383 927626835 /nfs/dbraw/zinc/62/68/35/927626835.db2.gz WKYSQDOHLLPRJD-AXFHLTTASA-N 1 1 258.318 1.363 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027011 927632413 /nfs/dbraw/zinc/63/24/13/927632413.db2.gz OQXIVCUSIMZBSI-YNEHKIRRSA-N 1 1 283.372 1.232 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169033655 927640461 /nfs/dbraw/zinc/64/04/61/927640461.db2.gz CZFWEROHJHMMQO-UTUOFQBUSA-N 1 1 270.329 1.317 20 5 CDBDMO CC(=O)N1CCC([N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037742 927646576 /nfs/dbraw/zinc/64/65/76/927646576.db2.gz TXZKUKDYYJZDBS-OCCSQVGLSA-N 1 1 283.372 1.375 20 5 CDBDMO O=C1NC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169039240 927650616 /nfs/dbraw/zinc/65/06/16/927650616.db2.gz OMZVUYUEKSAMHH-GVXVVHGQSA-N 1 1 283.328 1.006 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)C1 ZINC001169039666 927650932 /nfs/dbraw/zinc/65/09/32/927650932.db2.gz RXVDZNINVOHINO-UMVBOHGHSA-N 1 1 291.351 1.980 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C1 ZINC001169040088 927653389 /nfs/dbraw/zinc/65/33/89/927653389.db2.gz XSMNURVRLUWRBK-VOAKCMCISA-N 1 1 254.330 1.400 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3nccc3C2)C1 ZINC001169044605 927657005 /nfs/dbraw/zinc/65/70/05/927657005.db2.gz IKXPDTLJKZJLCU-WDEREUQCSA-N 1 1 250.302 1.144 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026815 927666224 /nfs/dbraw/zinc/66/62/24/927666224.db2.gz OJKWTZALYLXKCV-JHJVBQTASA-N 1 1 269.345 1.032 20 5 CDBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057699 927676118 /nfs/dbraw/zinc/67/61/18/927676118.db2.gz XBBSSQIAIGRJFE-YFKTTZPYSA-N 1 1 270.329 1.173 20 5 CDBDMO COc1nc(N2CC[C@H]([N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157010844 929106779 /nfs/dbraw/zinc/10/67/79/929106779.db2.gz UCCVRSIPDGTPDD-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)C)C1 ZINC001157526809 938504546 /nfs/dbraw/zinc/50/45/46/938504546.db2.gz ZSUFBGUTWZMCLV-UHFFFAOYSA-N 1 1 294.311 1.281 20 5 CDBDMO O=[N+]([O-])c1ccc2ncc(N3CC[N@H+]4CC[C@H]4C3)nc2c1 ZINC001158424064 938622517 /nfs/dbraw/zinc/62/25/17/938622517.db2.gz SDZOKDAWFBRHDQ-NSHDSACASA-N 1 1 285.307 1.432 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2cccc([N+](=O)[O-])n2)C1 ZINC001162342947 939031895 /nfs/dbraw/zinc/03/18/95/939031895.db2.gz XUFDYXSUGLCLLO-LBPRGKRZSA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165385250 939555093 /nfs/dbraw/zinc/55/50/93/939555093.db2.gz QIPCZWZHRJYVCU-UHFFFAOYSA-N 1 1 298.306 1.996 20 5 CDBDMO C[C@H](CCO)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001165966149 939587905 /nfs/dbraw/zinc/58/79/05/939587905.db2.gz JLSGFRZQOQVGLH-SNVBAGLBSA-N 1 1 279.340 1.766 20 5 CDBDMO C[C@H](CCO)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001165966149 939587907 /nfs/dbraw/zinc/58/79/07/939587907.db2.gz JLSGFRZQOQVGLH-SNVBAGLBSA-N 1 1 279.340 1.766 20 5 CDBDMO COc1cc(CO[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC001223905081 941705812 /nfs/dbraw/zinc/70/58/12/941705812.db2.gz BLPSNQMTGWPYOP-LLVKDONJSA-N 1 1 296.323 1.833 20 5 CDBDMO Cc1cnc(COC[C@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC001224185579 941727789 /nfs/dbraw/zinc/72/77/89/941727789.db2.gz KBWVRHJSQMDJFY-GFCCVEGCSA-N 1 1 295.339 1.454 20 5 CDBDMO Cc1cnc(COC[C@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC001224185579 941727791 /nfs/dbraw/zinc/72/77/91/941727791.db2.gz KBWVRHJSQMDJFY-GFCCVEGCSA-N 1 1 295.339 1.454 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634312 941892623 /nfs/dbraw/zinc/89/26/23/941892623.db2.gz URNAFWYBRZYPMU-LLVKDONJSA-N 1 1 251.286 1.851 20 5 CDBDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001226115875 941953197 /nfs/dbraw/zinc/95/31/97/941953197.db2.gz JWKBLKNLFZBJQE-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226766099 942065687 /nfs/dbraw/zinc/06/56/87/942065687.db2.gz YZAZXOJNDIWHSW-NSHDSACASA-N 1 1 274.280 1.889 20 5 CDBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001227122734 942137056 /nfs/dbraw/zinc/13/70/56/942137056.db2.gz TXBOJCMZLSIEAU-VIFPVBQESA-N 1 1 280.280 1.464 20 5 CDBDMO CC[NH+]1CCC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001229376588 942460532 /nfs/dbraw/zinc/46/05/32/942460532.db2.gz VYTKNJKQWFLUNB-UHFFFAOYSA-N 1 1 282.300 1.262 20 5 CDBDMO Cc1ccc(O[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230485888 942623259 /nfs/dbraw/zinc/62/32/59/942623259.db2.gz WKVJALASXPUNEX-SECBINFHSA-N 1 1 281.268 1.894 20 5 CDBDMO CCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230969805 942745847 /nfs/dbraw/zinc/74/58/47/942745847.db2.gz UHOKXRZGKJOZQZ-UHFFFAOYSA-N 1 1 279.340 1.943 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001262652767 943657242 /nfs/dbraw/zinc/65/72/42/943657242.db2.gz PKYHSENXQMTHFQ-JTQLQIEISA-N 1 1 280.328 1.147 20 5 CDBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001234049510 943727254 /nfs/dbraw/zinc/72/72/54/943727254.db2.gz YDVKZARGPSFAMN-SNVBAGLBSA-N 1 1 280.280 1.464 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001261851284 946303328 /nfs/dbraw/zinc/30/33/28/946303328.db2.gz ODSJLPONQGNCKO-LLVKDONJSA-N 1 1 279.344 1.614 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565853 947527701 /nfs/dbraw/zinc/52/77/01/947527701.db2.gz QLLUPYGZABLFQD-SMDDNHRTSA-N 1 1 291.351 1.736 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCn3nncc3C1)C2 ZINC001254605552 947552041 /nfs/dbraw/zinc/55/20/41/947552041.db2.gz BOCHWVYGEZVHPT-CYBMUJFWSA-N 1 1 285.307 1.169 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCn3nncc3C1)C2 ZINC001254605552 947552051 /nfs/dbraw/zinc/55/20/51/947552051.db2.gz BOCHWVYGEZVHPT-CYBMUJFWSA-N 1 1 285.307 1.169 20 5 CDBDMO CC[N@@H+](C1COC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602605 947553707 /nfs/dbraw/zinc/55/37/07/947553707.db2.gz GVFOSOOYMHLSIE-CYBMUJFWSA-N 1 1 262.309 1.783 20 5 CDBDMO CC(=O)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608631 947554969 /nfs/dbraw/zinc/55/49/69/947554969.db2.gz RLVLPJMEPYECBU-SWLSCSKDSA-N 1 1 274.320 1.973 20 5 CDBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610224 947556078 /nfs/dbraw/zinc/55/60/78/947556078.db2.gz JLKBRCDSMJXYQU-PMPSAXMXSA-N 1 1 287.363 1.840 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610224 947556082 /nfs/dbraw/zinc/55/60/82/947556082.db2.gz JLKBRCDSMJXYQU-PMPSAXMXSA-N 1 1 287.363 1.840 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610224 947556084 /nfs/dbraw/zinc/55/60/84/947556084.db2.gz JLKBRCDSMJXYQU-PMPSAXMXSA-N 1 1 287.363 1.840 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246091927 947941208 /nfs/dbraw/zinc/94/12/08/947941208.db2.gz MBBGAUUIACURRE-DRZSPHRISA-N 1 1 281.331 1.815 20 5 CDBDMO CCN(CC[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001332871970 957905128 /nfs/dbraw/zinc/90/51/28/957905128.db2.gz QCLOGFXRPWEQAE-OAHLLOKOSA-N 1 1 277.368 1.860 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001318890757 958293911 /nfs/dbraw/zinc/29/39/11/958293911.db2.gz PBIBTFLGGRICPG-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[N+](=O)[O-] ZINC001334683879 959285165 /nfs/dbraw/zinc/28/51/65/959285165.db2.gz DKISRIFFCBDXSZ-DZGCQCFKSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683879 959285182 /nfs/dbraw/zinc/28/51/82/959285182.db2.gz DKISRIFFCBDXSZ-DZGCQCFKSA-N 1 1 277.368 1.763 20 5 CDBDMO Nc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001337732703 961390854 /nfs/dbraw/zinc/39/08/54/961390854.db2.gz DPDDJCTWHGKAMP-ZJUUUORDSA-N 1 1 277.328 1.611 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001347500630 965558904 /nfs/dbraw/zinc/55/89/04/965558904.db2.gz COCKEFAWGBTZJX-LLVKDONJSA-N 1 1 295.314 1.948 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505076 965562682 /nfs/dbraw/zinc/56/26/82/965562682.db2.gz VLCNQNCDWJIWPZ-NSHDSACASA-N 1 1 277.324 1.809 20 5 CDBDMO Cc1cc(NC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001520384296 970178852 /nfs/dbraw/zinc/17/88/52/970178852.db2.gz HZKHGXOEPGGPMO-UHFFFAOYSA-N 1 1 278.312 1.683 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000600177733 341983305 /nfs/dbraw/zinc/98/33/05/341983305.db2.gz COQZBWISMPDLFV-DRDHIDPGSA-N 1 1 292.335 1.691 20 5 CDBDMO C[C@H](C[S@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601140946 342479934 /nfs/dbraw/zinc/47/99/34/342479934.db2.gz DNDTZLROOQSFQI-YBYGRFCBSA-N 1 1 293.348 1.744 20 5 CDBDMO CCOc1cc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199254 343979169 /nfs/dbraw/zinc/97/91/69/343979169.db2.gz IHVHQOPSOFETPB-LBPRGKRZSA-N 1 1 295.339 1.472 20 5 CDBDMO CC(C)[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000601262412 342539925 /nfs/dbraw/zinc/53/99/25/342539925.db2.gz CDLOSLFDKBKCRE-GFCCVEGCSA-N 1 1 264.329 1.766 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]CCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000590605283 342578202 /nfs/dbraw/zinc/57/82/02/342578202.db2.gz HNJFNXXCDLFVHC-JTQLQIEISA-N 1 1 275.312 1.915 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000590719064 342585851 /nfs/dbraw/zinc/58/58/51/342585851.db2.gz KFCNNJKEZADIKN-YGRLFVJLSA-N 1 1 299.334 1.678 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124888368 187159655 /nfs/dbraw/zinc/15/96/55/187159655.db2.gz MDXPTPFBNZYNCZ-CQSZACIVSA-N 1 1 264.325 1.984 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593065783 342761731 /nfs/dbraw/zinc/76/17/31/342761731.db2.gz CKOZDBJZZAUGFO-CHWSQXEVSA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593065783 342761733 /nfs/dbraw/zinc/76/17/33/342761733.db2.gz CKOZDBJZZAUGFO-CHWSQXEVSA-N 1 1 296.323 1.185 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000593109026 342769100 /nfs/dbraw/zinc/76/91/00/342769100.db2.gz GJJQQTQFYOQIEE-NSHDSACASA-N 1 1 252.314 1.840 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422361 342903782 /nfs/dbraw/zinc/90/37/82/342903782.db2.gz YQOTWQDHJSIDFS-CMPLNLGQSA-N 1 1 292.339 1.670 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382270 342263777 /nfs/dbraw/zinc/26/37/77/342263777.db2.gz AAGUPLPBBAQGAH-LLVKDONJSA-N 1 1 295.364 1.870 20 5 CDBDMO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383267 342264465 /nfs/dbraw/zinc/26/44/65/342264465.db2.gz KVWUEROXIPQGGR-LLVKDONJSA-N 1 1 292.339 1.147 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003771 342995281 /nfs/dbraw/zinc/99/52/81/342995281.db2.gz JZIFBBPWAHEKOR-UWVGGRQHSA-N 1 1 295.339 1.779 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595296323 343027067 /nfs/dbraw/zinc/02/70/67/343027067.db2.gz AIJIWJKHXVYPKG-NSHDSACASA-N 1 1 296.327 1.239 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595296323 343027070 /nfs/dbraw/zinc/02/70/70/343027070.db2.gz AIJIWJKHXVYPKG-NSHDSACASA-N 1 1 296.327 1.239 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595308446 343032281 /nfs/dbraw/zinc/03/22/81/343032281.db2.gz ODXVAQSMPANZFJ-JTQLQIEISA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595308446 343032282 /nfs/dbraw/zinc/03/22/82/343032282.db2.gz ODXVAQSMPANZFJ-JTQLQIEISA-N 1 1 269.301 1.628 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596075735 343226481 /nfs/dbraw/zinc/22/64/81/343226481.db2.gz KAZVCEWZJUEGAP-SNVBAGLBSA-N 1 1 280.328 1.839 20 5 CDBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596214775 343268668 /nfs/dbraw/zinc/26/86/68/343268668.db2.gz ZBPILXLEXYTYMP-AOOOYVTPSA-N 1 1 267.354 1.963 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596236377 343282501 /nfs/dbraw/zinc/28/25/01/343282501.db2.gz IGRJBDFNLPREPP-JTQLQIEISA-N 1 1 281.360 1.526 20 5 CDBDMO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598261870 343744064 /nfs/dbraw/zinc/74/40/64/343744064.db2.gz HIOSRBKSCKZHNF-JTQLQIEISA-N 1 1 295.343 1.168 20 5 CDBDMO CCOC[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784014 344598662 /nfs/dbraw/zinc/59/86/62/344598662.db2.gz GYAMOIYBPNKNKP-CYBMUJFWSA-N 1 1 296.371 1.848 20 5 CDBDMO Cc1nn(C)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133523187 362561716 /nfs/dbraw/zinc/56/17/16/362561716.db2.gz FHMOIKYRYZGUHR-SCZZXKLOSA-N 1 1 279.344 1.674 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000072871058 345378100 /nfs/dbraw/zinc/37/81/00/345378100.db2.gz GOVBIYIPCSFWSG-AOOOYVTPSA-N 1 1 277.324 1.782 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000609992630 346054788 /nfs/dbraw/zinc/05/47/88/346054788.db2.gz AYCACSYQWBJVTA-JTQLQIEISA-N 1 1 275.308 1.436 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000609894967 346037128 /nfs/dbraw/zinc/03/71/28/346037128.db2.gz TUEHSKFCOJUVMG-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@H]3CCCOC3)C2)nc1 ZINC000610569963 346315135 /nfs/dbraw/zinc/31/51/35/346315135.db2.gz IEHFYRVOMDQWPT-YPMHNXCESA-N 1 1 292.339 1.655 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545161480 362693404 /nfs/dbraw/zinc/69/34/04/362693404.db2.gz XABBMTXZOSCVER-IUODEOHRSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000545161480 362693405 /nfs/dbraw/zinc/69/34/05/362693405.db2.gz XABBMTXZOSCVER-IUODEOHRSA-N 1 1 293.367 1.620 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000273308604 192107751 /nfs/dbraw/zinc/10/77/51/192107751.db2.gz IFMGZWGBZJDNRI-NEPJUHHUSA-N 1 1 296.323 1.055 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106483278 186120659 /nfs/dbraw/zinc/12/06/59/186120659.db2.gz URSROAPDRVXSKF-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110652827 186311083 /nfs/dbraw/zinc/31/10/83/186311083.db2.gz ORGDCFJIDFKHEZ-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000154180929 188127378 /nfs/dbraw/zinc/12/73/78/188127378.db2.gz RIBSHQDLEVWKMJ-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000156279390 188253002 /nfs/dbraw/zinc/25/30/02/188253002.db2.gz OGQVLCFKUPMEKX-JTQLQIEISA-N 1 1 295.339 1.544 20 5 CDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000558728300 356042930 /nfs/dbraw/zinc/04/29/30/356042930.db2.gz XTGXBDSKLOYYRG-CYBMUJFWSA-N 1 1 291.351 1.547 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621356 357561138 /nfs/dbraw/zinc/56/11/38/357561138.db2.gz YPAMSRNTKQFGPX-DGCLKSJQSA-N 1 1 279.340 1.877 20 5 CDBDMO C[C@@H](NC[C@H](C)[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284110656 357643390 /nfs/dbraw/zinc/64/33/90/357643390.db2.gz NGPJAJIMEUDAOR-VHSXEESVSA-N 1 1 266.345 1.778 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748182 358232249 /nfs/dbraw/zinc/23/22/49/358232249.db2.gz NRDBMECUKAUQCL-SNVBAGLBSA-N 1 1 250.298 1.940 20 5 CDBDMO CC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134223171 358968946 /nfs/dbraw/zinc/96/89/46/358968946.db2.gz ZGYWVYBPMNDBAO-UHFFFAOYSA-N 1 1 292.339 1.843 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000104190372 358951360 /nfs/dbraw/zinc/95/13/60/358951360.db2.gz OMNPROQIKPZBPB-LLVKDONJSA-N 1 1 293.323 1.042 20 5 CDBDMO C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000342365460 359024537 /nfs/dbraw/zinc/02/45/37/359024537.db2.gz WCMGTUWOCSRVHG-VHSXEESVSA-N 1 1 292.339 1.588 20 5 CDBDMO CCc1[nH+]ccn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000270117056 359291569 /nfs/dbraw/zinc/29/15/69/359291569.db2.gz LZXXXHSPARYTQY-GFCCVEGCSA-N 1 1 291.307 1.794 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339004677 359269069 /nfs/dbraw/zinc/26/90/69/359269069.db2.gz WUMMYQMDJJHXJS-SNVBAGLBSA-N 1 1 266.297 1.769 20 5 CDBDMO Cc1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297045750 200069777 /nfs/dbraw/zinc/06/97/77/200069777.db2.gz IBZAECOALHJZLK-NSHDSACASA-N 1 1 279.344 1.471 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000408470083 359820356 /nfs/dbraw/zinc/82/03/56/359820356.db2.gz UDLJZSFIMFJQPX-YPMHNXCESA-N 1 1 275.308 1.371 20 5 CDBDMO COc1cccc(NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000162694769 359921893 /nfs/dbraw/zinc/92/18/93/359921893.db2.gz MZKKMSZVRJLBRW-UHFFFAOYSA-N 1 1 261.228 1.609 20 5 CDBDMO C[C@H]([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC000177249783 189039095 /nfs/dbraw/zinc/03/90/95/189039095.db2.gz GZNCMIZMVUMQJV-JTQLQIEISA-N 1 1 252.318 1.912 20 5 CDBDMO Cc1nc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297205768 360625694 /nfs/dbraw/zinc/62/56/94/360625694.db2.gz RRYUXWIGJWKVOD-MWLCHTKSSA-N 1 1 277.328 1.366 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168415113 361190795 /nfs/dbraw/zinc/19/07/95/361190795.db2.gz UTUMTAZIFVZEDQ-ZJUUUORDSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168415113 361190800 /nfs/dbraw/zinc/19/08/00/361190800.db2.gz UTUMTAZIFVZEDQ-ZJUUUORDSA-N 1 1 295.295 1.706 20 5 CDBDMO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000053245473 361395492 /nfs/dbraw/zinc/39/54/92/361395492.db2.gz CFRWDZYADSQQBI-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985146 189373240 /nfs/dbraw/zinc/37/32/40/189373240.db2.gz SXEMHWBMDYTLFA-SNVBAGLBSA-N 1 1 295.368 1.983 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000269711986 239000532 /nfs/dbraw/zinc/00/05/32/239000532.db2.gz PXZRGBIXEUMUCZ-OLZOCXBDSA-N 1 1 266.297 1.085 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000366609954 363864723 /nfs/dbraw/zinc/86/47/23/363864723.db2.gz FGNSTBWPWFTUQI-SNVBAGLBSA-N 1 1 297.742 1.769 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000366609954 363864728 /nfs/dbraw/zinc/86/47/28/363864728.db2.gz FGNSTBWPWFTUQI-SNVBAGLBSA-N 1 1 297.742 1.769 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000295196874 239298454 /nfs/dbraw/zinc/29/84/54/239298454.db2.gz JRUVWRJCNPWNLX-LLVKDONJSA-N 1 1 287.316 1.430 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340925235 364098059 /nfs/dbraw/zinc/09/80/59/364098059.db2.gz IRQNCOGIVKEYMW-CABZTGNLSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340925235 364098064 /nfs/dbraw/zinc/09/80/64/364098064.db2.gz IRQNCOGIVKEYMW-CABZTGNLSA-N 1 1 266.297 1.559 20 5 CDBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749195 370743082 /nfs/dbraw/zinc/74/30/82/370743082.db2.gz BSODGUKYLCKXEP-SNVBAGLBSA-N 1 1 264.285 1.420 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000063527616 364807653 /nfs/dbraw/zinc/80/76/53/364807653.db2.gz CZGLQUYWRFZOQT-BETUJISGSA-N 1 1 261.325 1.588 20 5 CDBDMO CCOc1cc(NCC[N@@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000107039988 364872064 /nfs/dbraw/zinc/87/20/64/364872064.db2.gz LHMMSZWXKUFIDK-UHFFFAOYSA-N 1 1 297.355 1.984 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1O ZINC000249574178 364905440 /nfs/dbraw/zinc/90/54/40/364905440.db2.gz PBILVACXERROLN-BXKDBHETSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1O ZINC000249574178 364905447 /nfs/dbraw/zinc/90/54/47/364905447.db2.gz PBILVACXERROLN-BXKDBHETSA-N 1 1 291.307 1.939 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COC[C@@H]1OC ZINC000290224097 364965830 /nfs/dbraw/zinc/96/58/30/364965830.db2.gz WYTUKRAIEJBKMP-AAEUAGOBSA-N 1 1 282.296 1.107 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)C2CCOCC2)cc1 ZINC000275537577 193070240 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O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000330864060 203329007 /nfs/dbraw/zinc/32/90/07/203329007.db2.gz YGEALHFGURARQQ-NSHDSACASA-N 1 1 268.338 1.505 20 5 CDBDMO CCC[C@]1(CO)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367982006 371269573 /nfs/dbraw/zinc/26/95/73/371269573.db2.gz GRNQFCLXRDUCSY-ZDUSSCGKSA-N 1 1 282.344 1.313 20 5 CDBDMO CCC[C@]1(CO)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367982006 371269575 /nfs/dbraw/zinc/26/95/75/371269575.db2.gz GRNQFCLXRDUCSY-ZDUSSCGKSA-N 1 1 282.344 1.313 20 5 CDBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000121816509 373239949 /nfs/dbraw/zinc/23/99/49/373239949.db2.gz ZHQKZLDGXUJAGT-KOLCDFICSA-N 1 1 295.364 1.743 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000368578861 374317177 /nfs/dbraw/zinc/31/71/77/374317177.db2.gz QSYMMHAGFFPEPC-SECBINFHSA-N 1 1 297.742 1.946 20 5 CDBDMO N[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319655 374378097 /nfs/dbraw/zinc/37/80/97/374378097.db2.gz LUFYKNIKHKWHLH-UPJWGTAASA-N 1 1 293.371 1.602 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147819 374455534 /nfs/dbraw/zinc/45/55/34/374455534.db2.gz RJTSGSZZSPBVLY-WDEREUQCSA-N 1 1 294.355 1.773 20 5 CDBDMO COC(C)(C)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000531576196 374502982 /nfs/dbraw/zinc/50/29/82/374502982.db2.gz ZHCOOVDKPQMHMG-UHFFFAOYSA-N 1 1 256.306 1.185 20 5 CDBDMO COC(C)(C)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000531576196 374502987 /nfs/dbraw/zinc/50/29/87/374502987.db2.gz ZHCOOVDKPQMHMG-UHFFFAOYSA-N 1 1 256.306 1.185 20 5 CDBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570790 374599563 /nfs/dbraw/zinc/59/95/63/374599563.db2.gz VRTOFUULGWNKFG-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000125326221 374994926 /nfs/dbraw/zinc/99/49/26/374994926.db2.gz IOVDLJGESYNUFQ-CFVMTHIKSA-N 1 1 276.336 1.840 20 5 CDBDMO CC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465534 375088565 /nfs/dbraw/zinc/08/85/65/375088565.db2.gz NETZSUCUFXUZPN-CYBMUJFWSA-N 1 1 252.314 1.840 20 5 CDBDMO CC1(C)CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302538282 375212116 /nfs/dbraw/zinc/21/21/16/375212116.db2.gz NCSWLSPVIDVTFH-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO C[N@@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491290199 375306150 /nfs/dbraw/zinc/30/61/50/375306150.db2.gz AUXDAZRNRLUOIX-WTKPLQERSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351775768 375328199 /nfs/dbraw/zinc/32/81/99/375328199.db2.gz WCCHFCKXXNCJFR-BREBYQMCSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351775768 375328203 /nfs/dbraw/zinc/32/82/03/375328203.db2.gz WCCHFCKXXNCJFR-BREBYQMCSA-N 1 1 293.323 1.234 20 5 CDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351828637 375333603 /nfs/dbraw/zinc/33/36/03/375333603.db2.gz OXJOECHALZOOFM-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351828637 375333610 /nfs/dbraw/zinc/33/36/10/375333610.db2.gz OXJOECHALZOOFM-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000304293286 375426470 /nfs/dbraw/zinc/42/64/70/375426470.db2.gz MTTZULZUIBHYFL-GFCCVEGCSA-N 1 1 280.324 1.678 20 5 CDBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877932 375548550 /nfs/dbraw/zinc/54/85/50/375548550.db2.gz RBMBKEHHWDIVJZ-QWHCGFSZSA-N 1 1 296.371 1.807 20 5 CDBDMO CC1(C)[C@H](NCCOc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000603435234 375566394 /nfs/dbraw/zinc/56/63/94/375566394.db2.gz WEEWHRHSCZILEM-QWHCGFSZSA-N 1 1 279.340 1.689 20 5 CDBDMO C[C@@H](C1CCC1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000357026857 375629244 /nfs/dbraw/zinc/62/92/44/375629244.db2.gz REHQXHHHEAAACO-JTQLQIEISA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357407151 375904419 /nfs/dbraw/zinc/90/44/19/375904419.db2.gz DYAPPCJGXUHVGK-BXKDBHETSA-N 1 1 295.314 1.946 20 5 CDBDMO COCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000296455389 376159649 /nfs/dbraw/zinc/15/96/49/376159649.db2.gz IYCUBASCQPPANI-ZDUSSCGKSA-N 1 1 298.339 1.051 20 5 CDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189732129 377411220 /nfs/dbraw/zinc/41/12/20/377411220.db2.gz RWVQCKKNIRVUAE-GXFFZTMASA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189732129 377411229 /nfs/dbraw/zinc/41/12/29/377411229.db2.gz RWVQCKKNIRVUAE-GXFFZTMASA-N 1 1 293.323 1.236 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266434527 190257329 /nfs/dbraw/zinc/25/73/29/190257329.db2.gz LJOWWJFAKBODTM-AWEZNQCLSA-N 1 1 290.323 1.284 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000266885352 190287300 /nfs/dbraw/zinc/28/73/00/190287300.db2.gz BWOCBBMKHGKNGR-ZDUSSCGKSA-N 1 1 275.312 1.957 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1Cc2ccccc2C1 ZINC000267083837 190302406 /nfs/dbraw/zinc/30/24/06/190302406.db2.gz NTWRQCPAPLEEIL-UHFFFAOYSA-N 1 1 286.335 1.891 20 5 CDBDMO Cc1nc(N[C@@H](C)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000450531153 251325948 /nfs/dbraw/zinc/32/59/48/251325948.db2.gz HDSLGPUUYVPBMB-VIFPVBQESA-N 1 1 267.333 1.834 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286006362 390190352 /nfs/dbraw/zinc/19/03/52/390190352.db2.gz DTGPAJHAESAVCO-UHFFFAOYSA-N 1 1 282.344 1.557 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948672 390580314 /nfs/dbraw/zinc/58/03/14/390580314.db2.gz HDVYWCKTIDKODG-JTQLQIEISA-N 1 1 267.333 1.247 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517084994 390968260 /nfs/dbraw/zinc/96/82/60/390968260.db2.gz KHIUOUFWZSTJTO-NSHDSACASA-N 1 1 294.355 1.395 20 5 CDBDMO CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000264364047 391117332 /nfs/dbraw/zinc/11/73/32/391117332.db2.gz VOFDECWERPDPMP-STQMWFEESA-N 1 1 293.367 1.876 20 5 CDBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000408068500 391239228 /nfs/dbraw/zinc/23/92/28/391239228.db2.gz VPXNXCQLXICPAZ-GHMZBOCLSA-N 1 1 264.329 1.827 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000192660454 391746772 /nfs/dbraw/zinc/74/67/72/391746772.db2.gz AICHTQBZOARAFD-UHFFFAOYSA-N 1 1 251.286 1.163 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920976 131118950 /nfs/dbraw/zinc/11/89/50/131118950.db2.gz KSZBBIGRRKDHLI-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360432 392638533 /nfs/dbraw/zinc/63/85/33/392638533.db2.gz AYXGKBOVSLVFHZ-UHFFFAOYSA-N 1 1 283.284 1.706 20 5 CDBDMO CC(C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360432 392638537 /nfs/dbraw/zinc/63/85/37/392638537.db2.gz AYXGKBOVSLVFHZ-UHFFFAOYSA-N 1 1 283.284 1.706 20 5 CDBDMO COCCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419379764 392891406 /nfs/dbraw/zinc/89/14/06/392891406.db2.gz FWZOXIZXBHUPTQ-UHFFFAOYSA-N 1 1 295.339 1.552 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCC1 ZINC000423316984 392960132 /nfs/dbraw/zinc/96/01/32/392960132.db2.gz BABJITAETBYILR-LLVKDONJSA-N 1 1 263.341 1.997 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCC1 ZINC000423316984 392960135 /nfs/dbraw/zinc/96/01/35/392960135.db2.gz BABJITAETBYILR-LLVKDONJSA-N 1 1 263.341 1.997 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425050697 392985884 /nfs/dbraw/zinc/98/58/84/392985884.db2.gz RSHAWFCLZFZIKX-GXTWGEPZSA-N 1 1 289.335 1.761 20 5 CDBDMO CN(C)C(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674436 393227607 /nfs/dbraw/zinc/22/76/07/393227607.db2.gz DBTJQHMRTIJAHP-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO CN(C)C(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674436 393227614 /nfs/dbraw/zinc/22/76/14/393227614.db2.gz DBTJQHMRTIJAHP-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489941716 393199719 /nfs/dbraw/zinc/19/97/19/393199719.db2.gz YMCDGFIGEKZHTK-JTQLQIEISA-N 1 1 273.296 1.922 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000231677249 140217582 /nfs/dbraw/zinc/21/75/82/140217582.db2.gz DDBCZSOFWFNCRK-ONGXEEELSA-N 1 1 293.323 1.513 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585035 152233390 /nfs/dbraw/zinc/23/33/90/152233390.db2.gz CULNFEDJYUOFNV-SNVBAGLBSA-N 1 1 280.328 1.527 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262312 153115897 /nfs/dbraw/zinc/11/58/97/153115897.db2.gz AJJYIGBNOPGSRO-CYBMUJFWSA-N 1 1 278.312 1.091 20 5 CDBDMO CC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355496929 157082638 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Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362446926 159151103 /nfs/dbraw/zinc/15/11/03/159151103.db2.gz IVDNAZICKNRTNR-WDEREUQCSA-N 1 1 280.328 1.329 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC23CCCC3)c1 ZINC000362691118 159214660 /nfs/dbraw/zinc/21/46/60/159214660.db2.gz XXHMTCQJUSICQF-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOCC23CCCC3)c1 ZINC000362691118 159214662 /nfs/dbraw/zinc/21/46/62/159214662.db2.gz XXHMTCQJUSICQF-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000285349046 196257829 /nfs/dbraw/zinc/25/78/29/196257829.db2.gz PLMYOQWWUWNJNL-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000285349046 196257831 /nfs/dbraw/zinc/25/78/31/196257831.db2.gz PLMYOQWWUWNJNL-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]cn1 ZINC000285349046 196257832 /nfs/dbraw/zinc/25/78/32/196257832.db2.gz PLMYOQWWUWNJNL-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]cn1 ZINC000285349046 196257834 /nfs/dbraw/zinc/25/78/34/196257834.db2.gz PLMYOQWWUWNJNL-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779623 196396177 /nfs/dbraw/zinc/39/61/77/196396177.db2.gz SMFLLCRNGNRHAE-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779623 196396178 /nfs/dbraw/zinc/39/61/78/196396178.db2.gz SMFLLCRNGNRHAE-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO [NH3+]C[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044531307 175196194 /nfs/dbraw/zinc/19/61/94/175196194.db2.gz VZDCPEJDVGJHOW-CYBMUJFWSA-N 1 1 263.341 1.808 20 5 CDBDMO COCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266952968 274030704 /nfs/dbraw/zinc/03/07/04/274030704.db2.gz FTBSAAHKXYRATP-UHFFFAOYSA-N 1 1 279.340 1.672 20 5 CDBDMO COCC[N@@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000265260836 274031995 /nfs/dbraw/zinc/03/19/95/274031995.db2.gz SIMIBBXRGFLEAL-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000265260836 274031997 /nfs/dbraw/zinc/03/19/97/274031997.db2.gz SIMIBBXRGFLEAL-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450800819 274360871 /nfs/dbraw/zinc/36/08/71/274360871.db2.gz ZRDLISSGQNWANI-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450800819 274360873 /nfs/dbraw/zinc/36/08/73/274360873.db2.gz ZRDLISSGQNWANI-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO O=C([C@@H]1CSC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604039 275006369 /nfs/dbraw/zinc/00/63/69/275006369.db2.gz HQFCDUWQZKXNOW-LBPRGKRZSA-N 1 1 293.348 1.142 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156524090 277057211 /nfs/dbraw/zinc/05/72/11/277057211.db2.gz FLRQPODOLIYONP-CQSZACIVSA-N 1 1 289.335 1.574 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343480484 279124768 /nfs/dbraw/zinc/12/47/68/279124768.db2.gz DLADSRKBJNDBEU-NOZJJQNGSA-N 1 1 295.314 1.946 20 5 CDBDMO CCCC[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511518 279278751 /nfs/dbraw/zinc/27/87/51/279278751.db2.gz ROSCVIFKIZQKLL-UHFFFAOYSA-N 1 1 267.329 1.879 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268520261 281974811 /nfs/dbraw/zinc/97/48/11/281974811.db2.gz UZAAOSHYWLSBMY-CMPLNLGQSA-N 1 1 294.355 1.819 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000552032593 290044194 /nfs/dbraw/zinc/04/41/94/290044194.db2.gz MGENIACIUDHRIE-NSHDSACASA-N 1 1 294.355 1.538 20 5 CDBDMO CCO[C@H]1C[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000571744078 294495977 /nfs/dbraw/zinc/49/59/77/294495977.db2.gz XXLZQFRJFIBIQE-PWSUYJOCSA-N 1 1 296.323 1.879 20 5 CDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658028 323292713 /nfs/dbraw/zinc/29/27/13/323292713.db2.gz SVBPIRLAAPKRHC-JTQLQIEISA-N 1 1 284.316 1.065 20 5 CDBDMO COCCC[N@@H+](C)CCNc1ccccc1[N+](=O)[O-] ZINC000078372746 523228965 /nfs/dbraw/zinc/22/89/65/523228965.db2.gz KOQFLZIATGAWAZ-UHFFFAOYSA-N 1 1 267.329 1.975 20 5 CDBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000061379485 523615719 /nfs/dbraw/zinc/61/57/19/523615719.db2.gz JQSPEBHNDSSHHA-UHFFFAOYSA-N 1 1 268.317 1.288 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(C)c1 ZINC000041160013 525460504 /nfs/dbraw/zinc/46/05/04/525460504.db2.gz VJLPDYAZMMYQOO-UHFFFAOYSA-N 1 1 276.296 1.627 20 5 CDBDMO NC(=O)c1cccc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000338710448 527085416 /nfs/dbraw/zinc/08/54/16/527085416.db2.gz HUQOHBCQQCFXMY-UHFFFAOYSA-N 1 1 290.323 1.368 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000192631179 535642141 /nfs/dbraw/zinc/64/21/41/535642141.db2.gz LHTIFVQVXONTFN-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO COC(=O)c1ccc(OC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000187671688 538448432 /nfs/dbraw/zinc/44/84/32/538448432.db2.gz SYKZMGWENYNGPE-SNVBAGLBSA-N 1 1 294.307 1.712 20 5 CDBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197322 576586476 /nfs/dbraw/zinc/58/64/76/576586476.db2.gz VPLMEBSNXKCUIJ-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197322 576586478 /nfs/dbraw/zinc/58/64/78/576586478.db2.gz VPLMEBSNXKCUIJ-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241273 576591473 /nfs/dbraw/zinc/59/14/73/576591473.db2.gz UEPDYEBIICAIGH-NSHDSACASA-N 1 1 277.324 1.809 20 5 CDBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000763108201 576713162 /nfs/dbraw/zinc/71/31/62/576713162.db2.gz JIKSEJNPGCNEAD-UHFFFAOYSA-N 1 1 279.252 1.940 20 5 CDBDMO Cn1cc(C[C@@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cn1 ZINC000747461208 576871527 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O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3COCO3)nc2c1 ZINC000894886981 619122405 /nfs/dbraw/zinc/12/24/05/619122405.db2.gz YIPHOQAOGGKHBZ-SECBINFHSA-N 1 1 279.252 1.199 20 5 CDBDMO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117877 619308911 /nfs/dbraw/zinc/30/89/11/619308911.db2.gz DBWFHZLWBUCAIP-SDDRHHMPSA-N 1 1 291.351 1.735 20 5 CDBDMO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117877 619308913 /nfs/dbraw/zinc/30/89/13/619308913.db2.gz DBWFHZLWBUCAIP-SDDRHHMPSA-N 1 1 291.351 1.735 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895775450 619839183 /nfs/dbraw/zinc/83/91/83/619839183.db2.gz AFBRNBJGIXQXBF-SNVBAGLBSA-N 1 1 290.323 1.596 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cn1 ZINC000895987173 619938644 /nfs/dbraw/zinc/93/86/44/619938644.db2.gz BWNSSUDWSOVHEU-UHFFFAOYSA-N 1 1 276.300 1.817 20 5 CDBDMO CN(C)C(=O)Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905131698 626646135 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C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000775062872 679723713 /nfs/dbraw/zinc/72/37/13/679723713.db2.gz KBUAQIYIKDRRQN-UHFFFAOYSA-N 1 1 295.295 1.850 20 5 CDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779865811 679750136 /nfs/dbraw/zinc/75/01/36/679750136.db2.gz QWGXAKDZJRKHIP-LLVKDONJSA-N 1 1 268.317 1.416 20 5 CDBDMO CC(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399877 679751101 /nfs/dbraw/zinc/75/11/01/679751101.db2.gz NWQCDXFZAVYZQW-CHWSQXEVSA-N 1 1 283.372 1.136 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886575108 679775047 /nfs/dbraw/zinc/77/50/47/679775047.db2.gz FXVFTBKNOLGNMI-PMOUVXMZSA-N 1 1 292.335 1.331 20 5 CDBDMO CC[C@@](C)(O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930248023 679795422 /nfs/dbraw/zinc/79/54/22/679795422.db2.gz HEIKSPJTAKEFAE-CQSZACIVSA-N 1 1 266.341 1.926 20 5 CDBDMO CN1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])CCC1=O ZINC000821323517 679850599 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C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839537689 681711426 /nfs/dbraw/zinc/71/14/26/681711426.db2.gz YRIUEOVEYGZSFJ-JHJVBQTASA-N 1 1 283.372 1.280 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839537689 681711435 /nfs/dbraw/zinc/71/14/35/681711435.db2.gz YRIUEOVEYGZSFJ-JHJVBQTASA-N 1 1 283.372 1.280 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000796201211 681764019 /nfs/dbraw/zinc/76/40/19/681764019.db2.gz GCZPHOHFAJUSPM-ZIAGYGMSSA-N 1 1 280.324 1.739 20 5 CDBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000858611855 681764464 /nfs/dbraw/zinc/76/44/64/681764464.db2.gz UKWLNHZHWMBNDQ-UHFFFAOYSA-N 1 1 290.367 1.278 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000872772036 681817979 /nfs/dbraw/zinc/81/79/79/681817979.db2.gz OFASMAMACDLUQF-GFCCVEGCSA-N 1 1 294.355 1.821 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000872772036 681817980 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O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840191038 682667203 /nfs/dbraw/zinc/66/72/03/682667203.db2.gz ZOIUIAWHZYBTLL-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840191038 682667213 /nfs/dbraw/zinc/66/72/13/682667213.db2.gz ZOIUIAWHZYBTLL-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO C[C@@H](NC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228466 683097634 /nfs/dbraw/zinc/09/76/34/683097634.db2.gz XEZJKUCSJUBBDV-LLVKDONJSA-N 1 1 292.339 1.613 20 5 CDBDMO CC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031502964 683214587 /nfs/dbraw/zinc/21/45/87/683214587.db2.gz PVZDDZQDGSDQRO-UHFFFAOYSA-N 1 1 263.297 1.163 20 5 CDBDMO Cc1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884823730 683358085 /nfs/dbraw/zinc/35/80/85/683358085.db2.gz BPWUWRFBCMBEMU-UHFFFAOYSA-N 1 1 253.302 1.239 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000712311735 683559183 /nfs/dbraw/zinc/55/91/83/683559183.db2.gz TXUANMAQNBZPDJ-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000712311735 683559199 /nfs/dbraw/zinc/55/91/99/683559199.db2.gz TXUANMAQNBZPDJ-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000714028980 683584818 /nfs/dbraw/zinc/58/48/18/683584818.db2.gz INJALYPWZCIZGP-GWCFXTLKSA-N 1 1 250.298 1.716 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCO)C1CCC1 ZINC000886162531 683748680 /nfs/dbraw/zinc/74/86/80/683748680.db2.gz SBDJBSALEPYFSI-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCO)C1CCC1 ZINC000886162531 683748685 /nfs/dbraw/zinc/74/86/85/683748685.db2.gz SBDJBSALEPYFSI-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1cnn(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172511832 683860521 /nfs/dbraw/zinc/86/05/21/683860521.db2.gz CGVSULMJPMKSSM-UHFFFAOYSA-N 1 1 293.371 1.699 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139096 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CCn1ccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819343597 684039339 /nfs/dbraw/zinc/03/93/39/684039339.db2.gz NWVHMJOSTLOMOX-ZDUSSCGKSA-N 1 1 290.323 1.634 20 5 CDBDMO C[NH+](C)CC1(O)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000931480649 684093594 /nfs/dbraw/zinc/09/35/94/684093594.db2.gz HXUJELKIWPCLGN-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO C[S@@](=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865542845 684113199 /nfs/dbraw/zinc/11/31/99/684113199.db2.gz YDHSROOKMIBFEU-LJQANCHMSA-N 1 1 279.321 1.355 20 5 CDBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929836995 684127917 /nfs/dbraw/zinc/12/79/17/684127917.db2.gz ZFIIGTWSSWAOIN-LLVKDONJSA-N 1 1 272.345 1.707 20 5 CDBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929836995 684127919 /nfs/dbraw/zinc/12/79/19/684127919.db2.gz ZFIIGTWSSWAOIN-LLVKDONJSA-N 1 1 272.345 1.707 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000779860647 684297770 /nfs/dbraw/zinc/29/77/70/684297770.db2.gz 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ZINC001753039164 1185003596 /nfs/dbraw/zinc/00/35/96/1185003596.db2.gz QFHLBUJHNJFJEY-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO CCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001753039164 1185003598 /nfs/dbraw/zinc/00/35/98/1185003598.db2.gz QFHLBUJHNJFJEY-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001173219965 912301756 /nfs/dbraw/zinc/30/17/56/912301756.db2.gz ADSJXWGYIHOOQI-LERXQTSPSA-N 1 1 282.315 1.931 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229899 912321153 /nfs/dbraw/zinc/32/11/53/912321153.db2.gz BNYQIBIQZNHWQG-SMDDNHRTSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC001173229437 912322914 /nfs/dbraw/zinc/32/29/14/912322914.db2.gz UZBGOQXBVQMZNF-LLVKDONJSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001167272784 895017391 /nfs/dbraw/zinc/01/73/91/895017391.db2.gz DBRJAXPNQUYSHC-QMMMGPOBSA-N 1 1 291.286 1.793 20 5 CDBDMO [NH3+]Cc1cnn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001168259956 908011279 /nfs/dbraw/zinc/01/12/79/908011279.db2.gz VCRKXQYUIRSCEJ-UHFFFAOYSA-N 1 1 258.241 1.116 20 5 CDBDMO CN(C)CC(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979259 927569391 /nfs/dbraw/zinc/56/93/91/927569391.db2.gz XYPJFUVFDWTWRV-RYUDHWBXSA-N 1 1 257.378 1.609 20 5 CDBDMO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968419 927590751 /nfs/dbraw/zinc/59/07/51/927590751.db2.gz YXXCSYNFGMSULR-UTUOFQBUSA-N 1 1 272.345 1.609 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C3CCC3)CC2)C1 ZINC001169007710 927612183 /nfs/dbraw/zinc/61/21/83/927612183.db2.gz PTSKTVDJNQGVBS-TZMCWYRMSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(CF)CC2)C1 ZINC001169011282 927617663 /nfs/dbraw/zinc/61/76/63/927617663.db2.gz JDXHNNDRLNPRTD-UPJWGTAASA-N 1 1 274.336 1.618 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027000 927633255 /nfs/dbraw/zinc/63/32/55/927633255.db2.gz OQXIVCUSIMZBSI-JHJVBQTASA-N 1 1 283.372 1.232 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC001169028373 927633343 /nfs/dbraw/zinc/63/33/43/927633343.db2.gz RWDAKZXGZCZNDM-HIFRSBDPSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3ccncc3C2)C1 ZINC001169037990 927647482 /nfs/dbraw/zinc/64/74/82/927647482.db2.gz UUOUXVYFWJIMBA-RISCZKNCSA-N 1 1 261.325 1.885 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccncc3)C2)C1 ZINC001169039481 927651750 /nfs/dbraw/zinc/65/17/50/927651750.db2.gz QAVVYOKIMYSNSI-VHDGCEQUSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccncc3)C2)C1 ZINC001169039481 927651757 /nfs/dbraw/zinc/65/17/57/927651757.db2.gz QAVVYOKIMYSNSI-VHDGCEQUSA-N 1 1 291.351 1.900 20 5 CDBDMO COC(=O)[C@H](C(C)C)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039976 927653333 /nfs/dbraw/zinc/65/33/33/927653333.db2.gz WNDWBEHPVZIBLT-UTUOFQBUSA-N 1 1 272.345 1.561 20 5 CDBDMO CN(C1CC1)[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044516 927657864 /nfs/dbraw/zinc/65/78/64/927657864.db2.gz HZNRPXLGRSYUFJ-FPMFFAJLSA-N 1 1 267.373 1.600 20 5 CDBDMO C[N@H+](C1CC1)[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044516 927657868 /nfs/dbraw/zinc/65/78/68/927657868.db2.gz HZNRPXLGRSYUFJ-FPMFFAJLSA-N 1 1 267.373 1.600 20 5 CDBDMO C[N@@H+](C1CC1)[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169044516 927657871 /nfs/dbraw/zinc/65/78/71/927657871.db2.gz HZNRPXLGRSYUFJ-FPMFFAJLSA-N 1 1 267.373 1.600 20 5 CDBDMO CC(C)N(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047013 927666416 /nfs/dbraw/zinc/66/64/16/927666416.db2.gz PPHXOYRABKPQQF-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047013 927666423 /nfs/dbraw/zinc/66/64/23/927666423.db2.gz PPHXOYRABKPQQF-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047013 927666426 /nfs/dbraw/zinc/66/64/26/927666426.db2.gz PPHXOYRABKPQQF-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277301 930481512 /nfs/dbraw/zinc/48/15/12/930481512.db2.gz HKNSPBQKAWUCNX-JMSVASOKSA-N 1 1 294.351 1.579 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001170900676 930704920 /nfs/dbraw/zinc/70/49/20/930704920.db2.gz NZUBMNYLSWGUOS-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000048544743 934387151 /nfs/dbraw/zinc/38/71/51/934387151.db2.gz IOEYLABDFLQPCU-UHFFFAOYSA-N 1 1 281.287 1.431 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001156580538 938388350 /nfs/dbraw/zinc/38/83/50/938388350.db2.gz NKVJXGLMZOVPJI-VIFPVBQESA-N 1 1 273.296 1.654 20 5 CDBDMO COc1cnc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001156580571 938388860 /nfs/dbraw/zinc/38/88/60/938388860.db2.gz PBJPFQDYSJTVAX-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001157002061 938445002 /nfs/dbraw/zinc/44/50/02/938445002.db2.gz SSZMXUFCGHEXNW-GFCCVEGCSA-N 1 1 264.329 1.909 20 5 CDBDMO O=C(NCCC[NH2+]CC=C(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157766885 938543133 /nfs/dbraw/zinc/54/31/33/938543133.db2.gz BDDSDSBGTIYNIX-HTQZYQBOSA-N 1 1 296.154 1.067 20 5 CDBDMO CCCCCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775628 938544383 /nfs/dbraw/zinc/54/43/83/938544383.db2.gz SMZFCYOHOYOETI-VXGBXAGGSA-N 1 1 271.361 1.328 20 5 CDBDMO CC(C)Oc1nc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159787689 938753350 /nfs/dbraw/zinc/75/33/50/938753350.db2.gz BFBXTOLSKBLGJM-SNVBAGLBSA-N 1 1 283.332 1.213 20 5 CDBDMO C[N@@H+](C1CN(c2ncc([N+](=O)[O-])cc2F)C1)[C@@H]1CCOC1 ZINC001165204239 939524077 /nfs/dbraw/zinc/52/40/77/939524077.db2.gz XKMRLGHSVULUPF-SECBINFHSA-N 1 1 296.302 1.038 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225916883 941928859 /nfs/dbraw/zinc/92/88/59/941928859.db2.gz XFIKJXINJATNKD-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226333555 941988647 /nfs/dbraw/zinc/98/86/47/941988647.db2.gz LZKSLJQWCYHAPN-RLCGTCKNSA-N 1 1 292.291 1.483 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3c(O)cccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226333555 941988648 /nfs/dbraw/zinc/98/86/48/941988648.db2.gz LZKSLJQWCYHAPN-RLCGTCKNSA-N 1 1 292.291 1.483 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226752252 942063130 /nfs/dbraw/zinc/06/31/30/942063130.db2.gz ZBCAXCGERBQAFU-XRNSZHNASA-N 1 1 295.270 1.312 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ncc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226752252 942063133 /nfs/dbraw/zinc/06/31/33/942063133.db2.gz ZBCAXCGERBQAFU-XRNSZHNASA-N 1 1 295.270 1.312 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462638 942179134 /nfs/dbraw/zinc/17/91/34/942179134.db2.gz HGKJKDGRCPZMTJ-SNVBAGLBSA-N 1 1 281.268 1.976 20 5 CDBDMO O=[N+]([O-])c1cncc(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001227990156 942253746 /nfs/dbraw/zinc/25/37/46/942253746.db2.gz GXCCQKXALHXHDN-JTQLQIEISA-N 1 1 260.253 1.580 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](O)C1 ZINC001254552405 947523059 /nfs/dbraw/zinc/52/30/59/947523059.db2.gz LHLWOYVOVHBEKV-WCQYABFASA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H](C[NH3+])CN(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580594 947536866 /nfs/dbraw/zinc/53/68/66/947536866.db2.gz GSQRRCKAEQSGNH-QMTHXVAHSA-N 1 1 263.341 1.589 20 5 CDBDMO C[C@H]1C[C@@H](CO)[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595896 947545334 /nfs/dbraw/zinc/54/53/34/947545334.db2.gz ADLWHENTVOMKPE-LKTVYLICSA-N 1 1 276.336 1.765 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600863 947551136 /nfs/dbraw/zinc/55/11/36/947551136.db2.gz WLFRNJMHQXJRLS-FZMZJTMJSA-N 1 1 289.335 1.259 20 5 CDBDMO C[N@@H+](CC1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603627 947553247 /nfs/dbraw/zinc/55/32/47/947553247.db2.gz OXZFSILLLJSJDA-AWEZNQCLSA-N 1 1 262.309 1.640 20 5 CDBDMO C[NH+](C)Cc1ccc2nc(-c3[nH]cnc3[N+](=O)[O-])[nH]c2c1 ZINC001251168753 950647762 /nfs/dbraw/zinc/64/77/62/950647762.db2.gz RCNZSUKULOHYAF-UHFFFAOYSA-N 1 1 286.295 1.923 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001324547588 953435010 /nfs/dbraw/zinc/43/50/10/953435010.db2.gz ABAAAIBLIUNWPW-NSHDSACASA-N 1 1 271.361 1.375 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001327983094 955146937 /nfs/dbraw/zinc/14/69/37/955146937.db2.gz NQDIRJBDMBJVNG-LLVKDONJSA-N 1 1 277.328 1.589 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC001338293350 961732084 /nfs/dbraw/zinc/73/20/84/961732084.db2.gz HFKAODFAXDMVAJ-SNVBAGLBSA-N 1 1 283.353 1.870 20 5 CDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000146779002 342455734 /nfs/dbraw/zinc/45/57/34/342455734.db2.gz AQRGYIVMIMMJBP-UHFFFAOYSA-N 1 1 254.265 1.068 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](O)C3)c2c1 ZINC000601112998 342470675 /nfs/dbraw/zinc/47/06/75/342470675.db2.gz AOBSYCSDSAULRK-SNVBAGLBSA-N 1 1 259.265 1.714 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H](O)C[C@H]3CO)c2c1 ZINC000601136093 342476416 /nfs/dbraw/zinc/47/64/16/342476416.db2.gz ODDXEXXNVMYQPK-QWRGUYRKSA-N 1 1 289.291 1.075 20 5 CDBDMO CC(C)[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000601156441 342483887 /nfs/dbraw/zinc/48/38/87/342483887.db2.gz WXGVEYXRXIHNSH-GFCCVEGCSA-N 1 1 282.319 1.905 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000590962256 342611665 /nfs/dbraw/zinc/61/16/65/342611665.db2.gz XLZZDUUWRYQRKH-GFCCVEGCSA-N 1 1 292.339 1.291 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044308068 342115141 /nfs/dbraw/zinc/11/51/41/342115141.db2.gz PDAPDUKGCUMACR-UHFFFAOYSA-N 1 1 283.353 1.824 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591148062 342618619 /nfs/dbraw/zinc/61/86/19/342618619.db2.gz ZSAWQVRJKIPAMM-LBPRGKRZSA-N 1 1 282.319 1.905 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591148062 342618620 /nfs/dbraw/zinc/61/86/20/342618620.db2.gz ZSAWQVRJKIPAMM-LBPRGKRZSA-N 1 1 282.319 1.905 20 5 CDBDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125220783 187175411 /nfs/dbraw/zinc/17/54/11/187175411.db2.gz GDDVBODVROVTTH-SNVBAGLBSA-N 1 1 277.324 1.926 20 5 CDBDMO C[C@H](N)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580678 342637881 /nfs/dbraw/zinc/63/78/81/342637881.db2.gz JOFHPQFOOAMKAU-DCAQKATOSA-N 1 1 267.333 1.212 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573520903 361892119 /nfs/dbraw/zinc/89/21/19/361892119.db2.gz BHNSLYAJPMXDGN-SUNKGSAMSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593107781 342768740 /nfs/dbraw/zinc/76/87/40/342768740.db2.gz NUMRNVWMVOJEJT-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593107781 342768741 /nfs/dbraw/zinc/76/87/41/342768741.db2.gz NUMRNVWMVOJEJT-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157397767 342202584 /nfs/dbraw/zinc/20/25/84/342202584.db2.gz CDJWLTDLRYMOBS-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157397767 342202585 /nfs/dbraw/zinc/20/25/85/342202585.db2.gz CDJWLTDLRYMOBS-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593674569 342825649 /nfs/dbraw/zinc/82/56/49/342825649.db2.gz YPGCNCQWNMGHQT-GNXSNYGWSA-N 1 1 292.335 1.690 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465510 342803647 /nfs/dbraw/zinc/80/36/47/342803647.db2.gz ALFRJRNEMIGIJF-GFCCVEGCSA-N 1 1 295.314 1.487 20 5 CDBDMO O=[N+]([O-])c1ccsc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000588832453 342222813 /nfs/dbraw/zinc/22/28/13/342222813.db2.gz KYIRCBMIBJEEFZ-UHFFFAOYSA-N 1 1 279.325 1.706 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417091 342902905 /nfs/dbraw/zinc/90/29/05/342902905.db2.gz ABXQNWLKJHISCP-AAEUAGOBSA-N 1 1 292.339 1.670 20 5 CDBDMO Cc1noc(CN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000595291191 343024839 /nfs/dbraw/zinc/02/48/39/343024839.db2.gz HODAAAHPZIPQCW-UHFFFAOYSA-N 1 1 254.290 1.029 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595340500 343030482 /nfs/dbraw/zinc/03/04/82/343030482.db2.gz AYKKHECLCAXEOI-NSHDSACASA-N 1 1 282.344 1.665 20 5 CDBDMO COCCOC[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595325232 343036282 /nfs/dbraw/zinc/03/62/82/343036282.db2.gz JACRJNOMJYXLOI-NSHDSACASA-N 1 1 299.327 1.376 20 5 CDBDMO COCCOC[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595325232 343036283 /nfs/dbraw/zinc/03/62/83/343036283.db2.gz JACRJNOMJYXLOI-NSHDSACASA-N 1 1 299.327 1.376 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399863 343048655 /nfs/dbraw/zinc/04/86/55/343048655.db2.gz GFUFZFHERLSRLY-LDYMZIIASA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399863 343048657 /nfs/dbraw/zinc/04/86/57/343048657.db2.gz GFUFZFHERLSRLY-LDYMZIIASA-N 1 1 254.261 1.689 20 5 CDBDMO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595425343 343056276 /nfs/dbraw/zinc/05/62/76/343056276.db2.gz QHTIRCNOFOOATA-VIFPVBQESA-N 1 1 255.274 1.406 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595458620 343068949 /nfs/dbraw/zinc/06/89/49/343068949.db2.gz KRCJATBAQJBMBG-LSJOCFKGSA-N 1 1 283.328 1.873 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[N+](=O)[O-] ZINC000595458620 343068951 /nfs/dbraw/zinc/06/89/51/343068951.db2.gz KRCJATBAQJBMBG-LSJOCFKGSA-N 1 1 283.328 1.873 20 5 CDBDMO CN1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC000595502010 343078980 /nfs/dbraw/zinc/07/89/80/343078980.db2.gz KQCDVDZXMYOTDN-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1=O ZINC000595502010 343078981 /nfs/dbraw/zinc/07/89/81/343078981.db2.gz KQCDVDZXMYOTDN-GFCCVEGCSA-N 1 1 295.314 1.787 20 5 CDBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595785857 343155739 /nfs/dbraw/zinc/15/57/39/343155739.db2.gz ZURZCNPVDKUOFG-YRGRVCCFSA-N 1 1 296.371 1.663 20 5 CDBDMO C[N@@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087190361 342386013 /nfs/dbraw/zinc/38/60/13/342386013.db2.gz QZPFQAAOHHBJSG-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337083 343297749 /nfs/dbraw/zinc/29/77/49/343297749.db2.gz UBXYQZCTVYNLMA-QMMMGPOBSA-N 1 1 280.332 1.082 20 5 CDBDMO Cn1cc(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088608082 342386780 /nfs/dbraw/zinc/38/67/80/342386780.db2.gz LZUHCBMEVRJEID-UHFFFAOYSA-N 1 1 286.335 1.929 20 5 CDBDMO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596429544 343315967 /nfs/dbraw/zinc/31/59/67/343315967.db2.gz JWFDHTZUESSXBM-RYUDHWBXSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596429544 343315970 /nfs/dbraw/zinc/31/59/70/343315970.db2.gz JWFDHTZUESSXBM-RYUDHWBXSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nn(C)c(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487062943 282270918 /nfs/dbraw/zinc/27/09/18/282270918.db2.gz STEQQNZWBWZIHB-NSHDSACASA-N 1 1 281.360 1.413 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599571905 344090940 /nfs/dbraw/zinc/09/09/40/344090940.db2.gz WTPQQZDOGHAUST-UHFFFAOYSA-N 1 1 280.324 1.942 20 5 CDBDMO CCOC1CC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602826553 344612089 /nfs/dbraw/zinc/61/20/89/344612089.db2.gz HPOOFBDDQFBRFZ-UHFFFAOYSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000292696835 362493059 /nfs/dbraw/zinc/49/30/59/362493059.db2.gz FWZFRXKERQVTGQ-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO CC[C@H]1C[NH+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000602846608 344624579 /nfs/dbraw/zinc/62/45/79/344624579.db2.gz PIMOUXZLYAZSMI-STQMWFEESA-N 1 1 296.371 1.989 20 5 CDBDMO COCC[N@@H+](C)C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000314151947 344910241 /nfs/dbraw/zinc/91/02/41/344910241.db2.gz MPGYKPONKPTNBO-LBPRGKRZSA-N 1 1 298.339 1.221 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611103755 346608806 /nfs/dbraw/zinc/60/88/06/346608806.db2.gz MMPYJUAPORLKGN-ZDUSSCGKSA-N 1 1 291.351 1.814 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612780606 347282609 /nfs/dbraw/zinc/28/26/09/347282609.db2.gz JOHZGAIPRMMCOT-UHFFFAOYSA-N 1 1 265.317 1.305 20 5 CDBDMO CC1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551222 180002499 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CDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)C2CCCCC2)n1 ZINC000304607882 356430235 /nfs/dbraw/zinc/43/02/35/356430235.db2.gz IZEBFLAJPYSNFN-UHFFFAOYSA-N 1 1 282.344 1.418 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@H]21 ZINC000269000353 366303668 /nfs/dbraw/zinc/30/36/68/366303668.db2.gz JNPVXPJJVKRTJP-ZYHUDNBSSA-N 1 1 292.339 1.479 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340911484 363558101 /nfs/dbraw/zinc/55/81/01/363558101.db2.gz FLPSPZJWNRCQNO-MNOVXSKESA-N 1 1 266.297 1.429 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514551 357343476 /nfs/dbraw/zinc/34/34/76/357343476.db2.gz IYUFOJIONOLWRW-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424362 358072141 /nfs/dbraw/zinc/07/21/41/358072141.db2.gz NFUGSLPOBMHZMR-GDLCADMTSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc([N+](=O)[O-])c1 ZINC000294712706 199146964 /nfs/dbraw/zinc/14/69/64/199146964.db2.gz BPMFKWQGBXOHJF-CQSZACIVSA-N 1 1 295.314 1.677 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228228 358450699 /nfs/dbraw/zinc/45/06/99/358450699.db2.gz WKYMWYHPDWTEKD-JOYOIKCWSA-N 1 1 280.328 1.335 20 5 CDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000176218345 358741065 /nfs/dbraw/zinc/74/10/65/358741065.db2.gz FPORBPINXMDHHA-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(C)(C)O1 ZINC000176218345 358741068 /nfs/dbraw/zinc/74/10/68/358741068.db2.gz FPORBPINXMDHHA-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000290495089 366531405 /nfs/dbraw/zinc/53/14/05/366531405.db2.gz AGBPAGWHMHNZFB-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO C[N@H+]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000435229933 359043070 /nfs/dbraw/zinc/04/30/70/359043070.db2.gz MVXWCIYOSFVJRC-UHFFFAOYSA-N 1 1 265.313 1.438 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263865771 359069478 /nfs/dbraw/zinc/06/94/78/359069478.db2.gz BTFKVYWLRJNOEL-SECBINFHSA-N 1 1 268.317 1.383 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000029588930 359603178 /nfs/dbraw/zinc/60/31/78/359603178.db2.gz PANQIFHDSUJABF-SECBINFHSA-N 1 1 265.317 1.225 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCC(F)(F)C[NH3+])c1 ZINC000162676053 359636669 /nfs/dbraw/zinc/63/66/69/359636669.db2.gz SISXUYYBJSXYOZ-UHFFFAOYSA-N 1 1 261.228 1.609 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297098909 200084678 /nfs/dbraw/zinc/08/46/78/200084678.db2.gz LAFDONXMWQPCDF-SNVBAGLBSA-N 1 1 265.317 1.224 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000351794657 359835648 /nfs/dbraw/zinc/83/56/48/359835648.db2.gz FGKOJNBXVLNQLB-JOYOIKCWSA-N 1 1 266.297 1.416 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089421304 359903964 /nfs/dbraw/zinc/90/39/64/359903964.db2.gz DEUJIDOPXYEXNW-UHFFFAOYSA-N 1 1 291.311 1.750 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839487 360358581 /nfs/dbraw/zinc/35/85/81/360358581.db2.gz VNUSRCLBKBVCGK-CMPLNLGQSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248570537 361251407 /nfs/dbraw/zinc/25/14/07/361251407.db2.gz QRTNPWLICXQDBZ-WCQYABFASA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383875 189295789 /nfs/dbraw/zinc/29/57/89/189295789.db2.gz LOHWALSBRKXTRD-DFBGVHRSSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509253 201037565 /nfs/dbraw/zinc/03/75/65/201037565.db2.gz AVPVWFBOUPCEIW-CMPLNLGQSA-N 1 1 264.329 1.766 20 5 CDBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174651559 364252389 /nfs/dbraw/zinc/25/23/89/364252389.db2.gz AILULMQHTJHPHP-ZDUSSCGKSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC000270873679 364801152 /nfs/dbraw/zinc/80/11/52/364801152.db2.gz ABLSQBFSGIOXMM-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC000270873679 364801155 /nfs/dbraw/zinc/80/11/55/364801155.db2.gz ABLSQBFSGIOXMM-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249588821 364925711 /nfs/dbraw/zinc/92/57/11/364925711.db2.gz UUKQDYICFNQTDR-ZWNOBZJWSA-N 1 1 277.324 1.681 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249588821 364925717 /nfs/dbraw/zinc/92/57/17/364925717.db2.gz UUKQDYICFNQTDR-ZWNOBZJWSA-N 1 1 277.324 1.681 20 5 CDBDMO COCCC[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000275436879 193037142 /nfs/dbraw/zinc/03/71/42/193037142.db2.gz JXDOYYSRGHYFJL-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO CC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270766468 366930918 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Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000194639331 372908905 /nfs/dbraw/zinc/90/89/05/372908905.db2.gz PVZBOPIMGLAVGM-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000269644778 373301757 /nfs/dbraw/zinc/30/17/57/373301757.db2.gz DNHKHIQYBAAKNO-AWEZNQCLSA-N 1 1 290.323 1.494 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701879 374328409 /nfs/dbraw/zinc/32/84/09/374328409.db2.gz IRFRIWQFHRCFBQ-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475138 374383138 /nfs/dbraw/zinc/38/31/38/374383138.db2.gz RPNBFVJXFDRPIQ-SRVKXCTJSA-N 1 1 281.360 1.602 20 5 CDBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000274884022 374686569 /nfs/dbraw/zinc/68/65/69/374686569.db2.gz GGDYYAGRLHAZCD-LLVKDONJSA-N 1 1 292.339 1.976 20 5 CDBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276830338 374750596 /nfs/dbraw/zinc/75/05/96/374750596.db2.gz AWYVZYMOOFSZEV-LBPRGKRZSA-N 1 1 280.324 1.808 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278197622 374835107 /nfs/dbraw/zinc/83/51/07/374835107.db2.gz IQYNFJQOUJPIJQ-NSHDSACASA-N 1 1 281.268 1.724 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278197622 374835113 /nfs/dbraw/zinc/83/51/13/374835113.db2.gz IQYNFJQOUJPIJQ-NSHDSACASA-N 1 1 281.268 1.724 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000332293273 375024848 /nfs/dbraw/zinc/02/48/48/375024848.db2.gz JVGZEXBBEOJVQN-CYBMUJFWSA-N 1 1 296.302 1.760 20 5 CDBDMO CN(C)C(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332700448 375044107 /nfs/dbraw/zinc/04/41/07/375044107.db2.gz VDRCSDOZJOKQQG-UHFFFAOYSA-N 1 1 277.324 1.431 20 5 CDBDMO Cc1nc(N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000302232049 375182299 /nfs/dbraw/zinc/18/22/99/375182299.db2.gz CKFLAGQFQRSTNO-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000302529492 375212083 /nfs/dbraw/zinc/21/20/83/375212083.db2.gz KVUXHGZBQGLAKP-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000302529492 375212090 /nfs/dbraw/zinc/21/20/90/375212090.db2.gz KVUXHGZBQGLAKP-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735601 375359025 /nfs/dbraw/zinc/35/90/25/375359025.db2.gz XDOGRZWAADFJEE-NSHDSACASA-N 1 1 294.355 1.773 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1Cc2ccccc2C1 ZINC000131890765 375374834 /nfs/dbraw/zinc/37/48/34/375374834.db2.gz KJECRJYTTPQENR-UHFFFAOYSA-N 1 1 285.303 1.772 20 5 CDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193706 375568411 /nfs/dbraw/zinc/56/84/11/375568411.db2.gz DHNMZJKKMRTHJD-MNOVXSKESA-N 1 1 268.317 1.027 20 5 CDBDMO COCC[N@@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889573 375642803 /nfs/dbraw/zinc/64/28/03/375642803.db2.gz MDEYRBMLDOERFA-UHFFFAOYSA-N 1 1 289.282 1.863 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C=O)CC1 ZINC000294176568 375722523 /nfs/dbraw/zinc/72/25/23/375722523.db2.gz JTLMWGPXBHAONV-LBPRGKRZSA-N 1 1 277.324 1.820 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C=O)CC1 ZINC000294176568 375722529 /nfs/dbraw/zinc/72/25/29/375722529.db2.gz JTLMWGPXBHAONV-LBPRGKRZSA-N 1 1 277.324 1.820 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133583711 375803695 /nfs/dbraw/zinc/80/36/95/375803695.db2.gz DUVHAZUNOMVYPN-SNVBAGLBSA-N 1 1 281.287 1.558 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004348 376116214 /nfs/dbraw/zinc/11/62/14/376116214.db2.gz ZFTZLXHMFAOFCA-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO COCC[N@@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347376214 376058022 /nfs/dbraw/zinc/05/80/22/376058022.db2.gz ZYNVXWKDAYYVET-JLHYYAGUSA-N 1 1 294.351 1.939 20 5 CDBDMO CCc1n[nH]c(C(=O)NCC[N@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000264682345 190128380 /nfs/dbraw/zinc/12/83/80/190128380.db2.gz PUSYRRAPGWKIEF-SECBINFHSA-N 1 1 297.359 1.340 20 5 CDBDMO CC[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357326870 376983954 /nfs/dbraw/zinc/98/39/54/376983954.db2.gz ZOQXIWQNOXLAJV-UHFFFAOYSA-N 1 1 275.312 1.324 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089312638 377822398 /nfs/dbraw/zinc/82/23/98/377822398.db2.gz SVWPCBMEASERMO-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069710 190228056 /nfs/dbraw/zinc/22/80/56/190228056.db2.gz KEJFOQMZUVWNTA-ONGXEEELSA-N 1 1 280.328 1.335 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594370 378596135 /nfs/dbraw/zinc/59/61/35/378596135.db2.gz QZJWYOVAPZAXET-RYUDHWBXSA-N 1 1 279.340 1.877 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000173562472 378619916 /nfs/dbraw/zinc/61/99/16/378619916.db2.gz HKYPCTDOHOSZMO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC000173562472 378619917 /nfs/dbraw/zinc/61/99/17/378619917.db2.gz HKYPCTDOHOSZMO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000174857419 379593510 /nfs/dbraw/zinc/59/35/10/379593510.db2.gz HYBQECLHHFBBRX-JQWIXIFHSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000174857419 379593511 /nfs/dbraw/zinc/59/35/11/379593511.db2.gz HYBQECLHHFBBRX-JQWIXIFHSA-N 1 1 268.317 1.291 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000266909922 190289753 /nfs/dbraw/zinc/28/97/53/190289753.db2.gz CRWWWWDENLWSCS-RYUDHWBXSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000266909922 190289754 /nfs/dbraw/zinc/28/97/54/190289754.db2.gz CRWWWWDENLWSCS-RYUDHWBXSA-N 1 1 266.301 1.045 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450276844 251205140 /nfs/dbraw/zinc/20/51/40/251205140.db2.gz NZWQDZUVVUAFFK-SECBINFHSA-N 1 1 263.301 1.342 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000015130027 285166088 /nfs/dbraw/zinc/16/60/88/285166088.db2.gz YFTLMMUHDHFOMY-GFCCVEGCSA-N 1 1 292.339 1.291 20 5 CDBDMO C[N@H+]1CCN(CCNc2ncccc2[N+](=O)[O-])CC1(C)C ZINC000281586550 195297648 /nfs/dbraw/zinc/29/76/48/195297648.db2.gz GMZRNQYTFJGQEV-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000268062222 391272004 /nfs/dbraw/zinc/27/20/04/391272004.db2.gz ZCVDSTCJSNKHTO-CHWSQXEVSA-N 1 1 293.367 1.795 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000343611632 391636283 /nfs/dbraw/zinc/63/62/83/391636283.db2.gz KXLGJQDOEZDFBU-KBPBESRZSA-N 1 1 289.335 1.614 20 5 CDBDMO [NH3+]C1(C[NH2+]CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000342128127 130287430 /nfs/dbraw/zinc/28/74/30/130287430.db2.gz GEIKBFGTJHNPSW-UHFFFAOYSA-N 1 1 265.313 1.445 20 5 CDBDMO Cn1c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425057148 392985141 /nfs/dbraw/zinc/98/51/41/392985141.db2.gz MBPIXFVEJUELLK-CMPLNLGQSA-N 1 1 292.339 1.100 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577975 393082637 /nfs/dbraw/zinc/08/26/37/393082637.db2.gz HJMDYDOMTQQDIO-ZJUUUORDSA-N 1 1 252.318 1.949 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081524155 393064542 /nfs/dbraw/zinc/06/45/42/393064542.db2.gz BCSKFNWMJMMTKX-NSHDSACASA-N 1 1 279.340 1.451 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449717064 393139959 /nfs/dbraw/zinc/13/99/59/393139959.db2.gz MLGQSZZVBBNKFF-NXEZZACHSA-N 1 1 272.326 1.550 20 5 CDBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332727458 393155932 /nfs/dbraw/zinc/15/59/32/393155932.db2.gz SPTHPAVPQFUGJI-UWVGGRQHSA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnn(C)n1 ZINC000494429008 393232138 /nfs/dbraw/zinc/23/21/38/393232138.db2.gz WLKXZFSZPKFTEW-SNVBAGLBSA-N 1 1 290.327 1.229 20 5 CDBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286881 148034954 /nfs/dbraw/zinc/03/49/54/148034954.db2.gz LACHCSMGLCKJRI-SMDDNHRTSA-N 1 1 296.371 1.927 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@H]1CO ZINC000343716588 152277109 /nfs/dbraw/zinc/27/71/09/152277109.db2.gz BEYSZXDVYSUXRE-LLVKDONJSA-N 1 1 298.364 1.383 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@H]1CO ZINC000343716588 152277112 /nfs/dbraw/zinc/27/71/12/152277112.db2.gz BEYSZXDVYSUXRE-LLVKDONJSA-N 1 1 298.364 1.383 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970792 152374176 /nfs/dbraw/zinc/37/41/76/152374176.db2.gz IQKQAURIKUSQEZ-SNVBAGLBSA-N 1 1 265.317 1.093 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000349878282 154253983 /nfs/dbraw/zinc/25/39/83/154253983.db2.gz VQJJXICXZXLEFH-ZJUUUORDSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000355961407 157299544 /nfs/dbraw/zinc/29/95/44/157299544.db2.gz VNEDPRVAIXUIJY-LLVKDONJSA-N 1 1 296.371 1.844 20 5 CDBDMO O=[N+]([O-])c1ccc(CCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000040676053 174373836 /nfs/dbraw/zinc/37/38/36/174373836.db2.gz WWKPGGAEVPGFEE-HNNXBMFYSA-N 1 1 293.367 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000040676053 174373837 /nfs/dbraw/zinc/37/38/37/174373837.db2.gz WWKPGGAEVPGFEE-HNNXBMFYSA-N 1 1 293.367 1.184 20 5 CDBDMO Cc1nn(C)c(NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000071377615 176143084 /nfs/dbraw/zinc/14/30/84/176143084.db2.gz LHKYHBVTSGSGJR-UHFFFAOYSA-N 1 1 281.360 1.923 20 5 CDBDMO COCCC[N@@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000078372858 177335984 /nfs/dbraw/zinc/33/59/84/177335984.db2.gz GZZVFUOVDUPBGQ-UHFFFAOYSA-N 1 1 285.348 1.017 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331301133 264199372 /nfs/dbraw/zinc/19/93/72/264199372.db2.gz CATZPCXNEKFRPQ-MNOVXSKESA-N 1 1 282.344 1.454 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331301133 264199375 /nfs/dbraw/zinc/19/93/75/264199375.db2.gz CATZPCXNEKFRPQ-MNOVXSKESA-N 1 1 282.344 1.454 20 5 CDBDMO C[C@H]1COCC[N@@H+]1CCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000192796639 270300027 /nfs/dbraw/zinc/30/00/27/270300027.db2.gz QQLOQDGSPOAABE-LBPRGKRZSA-N 1 1 291.351 1.678 20 5 CDBDMO C[C@H]1COCC[N@H+]1CCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000192796639 270300028 /nfs/dbraw/zinc/30/00/28/270300028.db2.gz QQLOQDGSPOAABE-LBPRGKRZSA-N 1 1 291.351 1.678 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450437 274334060 /nfs/dbraw/zinc/33/40/60/274334060.db2.gz JEZVAZUPWZIRBM-SECBINFHSA-N 1 1 275.312 1.611 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000081529393 277011232 /nfs/dbraw/zinc/01/12/32/277011232.db2.gz HJGLUUXBICIEGU-SNVBAGLBSA-N 1 1 265.313 1.409 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@H]2C1 ZINC000192553002 277199601 /nfs/dbraw/zinc/19/96/01/277199601.db2.gz LSSDFOLUPNFTEW-OCAPTIKFSA-N 1 1 254.315 1.049 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153110904 281260241 /nfs/dbraw/zinc/26/02/41/281260241.db2.gz CAGUAGIWJUUNKK-QWHCGFSZSA-N 1 1 277.324 1.422 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000533036114 282077889 /nfs/dbraw/zinc/07/78/89/282077889.db2.gz AMCBSAPTYJATKD-ZDUSSCGKSA-N 1 1 282.344 1.273 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C ZINC000563198628 293307375 /nfs/dbraw/zinc/30/73/75/293307375.db2.gz IRHFQQCQJPRHGH-UHFFFAOYSA-N 1 1 252.274 1.137 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000579706474 324258268 /nfs/dbraw/zinc/25/82/68/324258268.db2.gz HMDJOZAYOJINON-ZYHUDNBSSA-N 1 1 286.715 1.752 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000886286005 687488369 /nfs/dbraw/zinc/48/83/69/687488369.db2.gz YQCCFVRTKZPXGD-GWCFXTLKSA-N 1 1 265.313 1.440 20 5 CDBDMO COC1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357927009 522683157 /nfs/dbraw/zinc/68/31/57/522683157.db2.gz IKHTUKXDSDMLRE-UHFFFAOYSA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)NCCF ZINC000337259059 525529397 /nfs/dbraw/zinc/52/93/97/525529397.db2.gz OWYABCCZXNTQSF-MRVPVSSYSA-N 1 1 287.266 1.298 20 5 CDBDMO C[C@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187909155 526241750 /nfs/dbraw/zinc/24/17/50/526241750.db2.gz QRTNPWLICXQDBZ-AAEUAGOBSA-N 1 1 282.344 1.274 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366537985 527349664 /nfs/dbraw/zinc/34/96/64/527349664.db2.gz VDHMVDOOHMUKMP-HNNXBMFYSA-N 1 1 291.351 1.501 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000304315430 527372429 /nfs/dbraw/zinc/37/24/29/527372429.db2.gz RLUNSVGSZIWRCF-LLVKDONJSA-N 1 1 266.297 1.288 20 5 CDBDMO CC[N@@H+](CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044423 528562716 /nfs/dbraw/zinc/56/27/16/528562716.db2.gz PQPXWRTZECZTTF-GFCCVEGCSA-N 1 1 298.339 1.303 20 5 CDBDMO CCc1nn(C)c(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000220150280 536180967 /nfs/dbraw/zinc/18/09/67/536180967.db2.gz HVJHRABNTMSDHY-SECBINFHSA-N 1 1 281.360 1.785 20 5 CDBDMO CC[N@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000731902717 575069690 /nfs/dbraw/zinc/06/96/90/575069690.db2.gz LWMDQMFXGLMLCG-UHFFFAOYSA-N 1 1 289.339 1.775 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000774002577 575848020 /nfs/dbraw/zinc/84/80/20/575848020.db2.gz YIVDZUUWFSFZFQ-LLVKDONJSA-N 1 1 296.327 1.127 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774002577 575848022 /nfs/dbraw/zinc/84/80/22/575848022.db2.gz YIVDZUUWFSFZFQ-LLVKDONJSA-N 1 1 296.327 1.127 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742195644 575990918 /nfs/dbraw/zinc/99/09/18/575990918.db2.gz HAYCKTFXWXDOIC-SNVBAGLBSA-N 1 1 263.297 1.371 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742195644 575990920 /nfs/dbraw/zinc/99/09/20/575990920.db2.gz HAYCKTFXWXDOIC-SNVBAGLBSA-N 1 1 263.297 1.371 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000748083691 576895118 /nfs/dbraw/zinc/89/51/18/576895118.db2.gz TXEIVDZAEOVVFB-UHFFFAOYSA-N 1 1 281.360 1.555 20 5 CDBDMO COc1c(O)ccc(C[N@H+](CCCO)C2CC2)c1[N+](=O)[O-] ZINC000892036918 617431646 /nfs/dbraw/zinc/43/16/46/617431646.db2.gz ZZTIHVFOZLQKDQ-UHFFFAOYSA-N 1 1 296.323 1.656 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](CCCO)C2CC2)c1[N+](=O)[O-] ZINC000892036918 617431647 /nfs/dbraw/zinc/43/16/47/617431647.db2.gz ZZTIHVFOZLQKDQ-UHFFFAOYSA-N 1 1 296.323 1.656 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]1CO ZINC000934028589 617871068 /nfs/dbraw/zinc/87/10/68/617871068.db2.gz YSFNYWJPZIIYGB-SNVBAGLBSA-N 1 1 252.270 1.040 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]1CO ZINC000934028589 617871072 /nfs/dbraw/zinc/87/10/72/617871072.db2.gz YSFNYWJPZIIYGB-SNVBAGLBSA-N 1 1 252.270 1.040 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683770 621072185 /nfs/dbraw/zinc/07/21/85/621072185.db2.gz GRPSTMPTONDAAS-JOYOIKCWSA-N 1 1 296.323 1.425 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000897683770 621072187 /nfs/dbraw/zinc/07/21/87/621072187.db2.gz GRPSTMPTONDAAS-JOYOIKCWSA-N 1 1 296.323 1.425 20 5 CDBDMO Cc1[nH+]c2cc3c(cc2n1CC[N+](=O)[O-])OCCO3 ZINC000899866539 622499483 /nfs/dbraw/zinc/49/94/83/622499483.db2.gz OVMGRHYFOHDESZ-UHFFFAOYSA-N 1 1 263.253 1.393 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CNOC3)o2)cc1 ZINC000904421651 626296019 /nfs/dbraw/zinc/29/60/19/626296019.db2.gz MQLPPRZHBYVRMX-LLVKDONJSA-N 1 1 289.291 1.848 20 5 CDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000919949658 632699877 /nfs/dbraw/zinc/69/98/77/632699877.db2.gz FYNLVMKGYIWBNW-UHFFFAOYSA-N 1 1 272.308 1.848 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000919949658 632699880 /nfs/dbraw/zinc/69/98/80/632699880.db2.gz FYNLVMKGYIWBNW-UHFFFAOYSA-N 1 1 272.308 1.848 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886208984 685356702 /nfs/dbraw/zinc/35/67/02/685356702.db2.gz BTHQORACSKALBD-CQSZACIVSA-N 1 1 279.340 1.974 20 5 CDBDMO CC[N@H+](CCOc1ccccc1OC)CC[N+](=O)[O-] ZINC000931068966 686305438 /nfs/dbraw/zinc/30/54/38/686305438.db2.gz BLJKXJYMQATRQK-UHFFFAOYSA-N 1 1 268.313 1.673 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1OC)CC[N+](=O)[O-] ZINC000931068966 686305445 /nfs/dbraw/zinc/30/54/45/686305445.db2.gz BLJKXJYMQATRQK-UHFFFAOYSA-N 1 1 268.313 1.673 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000817131872 685472804 /nfs/dbraw/zinc/47/28/04/685472804.db2.gz SXTSAZLLYZJHSZ-NSHDSACASA-N 1 1 264.329 1.707 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000037286053 684335219 /nfs/dbraw/zinc/33/52/19/684335219.db2.gz ORWIDRIMGBVOOZ-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279842 684370547 /nfs/dbraw/zinc/37/05/47/684370547.db2.gz YIGKCOGPZFAXKK-MFKMUULPSA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000842622463 684382611 /nfs/dbraw/zinc/38/26/11/684382611.db2.gz PAEYGLYFQCRYNI-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000842622463 684382615 /nfs/dbraw/zinc/38/26/15/684382615.db2.gz PAEYGLYFQCRYNI-LBPRGKRZSA-N 1 1 273.296 1.633 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CO ZINC000886162643 684451658 /nfs/dbraw/zinc/45/16/58/684451658.db2.gz VBZOBRQBJTWJME-KOLCDFICSA-N 1 1 251.286 1.193 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872320189 684507454 /nfs/dbraw/zinc/50/74/54/684507454.db2.gz MGSYQLXGYUFZSE-SCRDCRAPSA-N 1 1 278.308 1.206 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000877493638 684608178 /nfs/dbraw/zinc/60/81/78/684608178.db2.gz NDDDXJVEVFHUPW-OAHLLOKOSA-N 1 1 291.351 1.909 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000886217818 684621543 /nfs/dbraw/zinc/62/15/43/684621543.db2.gz IEXDLANBJCGUQV-LBPRGKRZSA-N 1 1 277.324 1.869 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037316 684819135 /nfs/dbraw/zinc/81/91/35/684819135.db2.gz RZYOKAYXXCKWHS-JSGCOSHPSA-N 1 1 280.324 1.078 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256247 684839455 /nfs/dbraw/zinc/83/94/55/684839455.db2.gz ZJNLRZHIHIOUQT-SWHYSGLUSA-N 1 1 280.324 1.331 20 5 CDBDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929633460 685043456 /nfs/dbraw/zinc/04/34/56/685043456.db2.gz XDNOPTSHJKAOEB-NSHDSACASA-N 1 1 271.361 1.137 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246205845 685735123 /nfs/dbraw/zinc/73/51/23/685735123.db2.gz BLAVCNOPPHACSK-WCQYABFASA-N 1 1 279.344 1.165 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000879142657 685746500 /nfs/dbraw/zinc/74/65/00/685746500.db2.gz ZODIYXWODLNROO-KFWWJZLASA-N 1 1 294.351 1.864 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000778267221 685795641 /nfs/dbraw/zinc/79/56/41/685795641.db2.gz CECLBYOSBOVYNC-JSGCOSHPSA-N 1 1 280.324 1.475 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000886251349 685946650 /nfs/dbraw/zinc/94/66/50/685946650.db2.gz AQWBVDAUYBWNQL-LBPRGKRZSA-N 1 1 264.329 1.516 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000882269899 686728195 /nfs/dbraw/zinc/72/81/95/686728195.db2.gz WNEGBHZCHRHKSW-UHFFFAOYSA-N 1 1 292.274 1.179 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075783071 687213856 /nfs/dbraw/zinc/21/38/56/687213856.db2.gz QZHGOHRFEUEZAP-SNVBAGLBSA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075783071 687213861 /nfs/dbraw/zinc/21/38/61/687213861.db2.gz QZHGOHRFEUEZAP-SNVBAGLBSA-N 1 1 296.323 1.664 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794966629 687242222 /nfs/dbraw/zinc/24/22/22/687242222.db2.gz GKSMPEMLJGQYKX-ITGUQSILSA-N 1 1 276.292 1.446 20 5 CDBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930482092 687301205 /nfs/dbraw/zinc/30/12/05/687301205.db2.gz JLQVWOKMFMMTCH-LLVKDONJSA-N 1 1 273.333 1.206 20 5 CDBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930482092 687301214 /nfs/dbraw/zinc/30/12/14/687301214.db2.gz JLQVWOKMFMMTCH-LLVKDONJSA-N 1 1 273.333 1.206 20 5 CDBDMO CON1CCC([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886241272 687351571 /nfs/dbraw/zinc/35/15/71/687351571.db2.gz TVZUVKIGGRPEPS-UHFFFAOYSA-N 1 1 280.328 1.447 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931719062 687402253 /nfs/dbraw/zinc/40/22/53/687402253.db2.gz HQQNYZIPFCPKMW-QWHCGFSZSA-N 1 1 293.371 1.268 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000882961728 687449149 /nfs/dbraw/zinc/44/91/49/687449149.db2.gz WDKJVXKSVLTGEG-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO COCCOC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886014013 687669527 /nfs/dbraw/zinc/66/95/27/687669527.db2.gz AVLICEIUPFTGLZ-UHFFFAOYSA-N 1 1 295.339 1.617 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000840123111 688097483 /nfs/dbraw/zinc/09/74/83/688097483.db2.gz FZSPTXOJGDCJHA-VHSXEESVSA-N 1 1 254.290 1.106 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000840123111 688097488 /nfs/dbraw/zinc/09/74/88/688097488.db2.gz FZSPTXOJGDCJHA-VHSXEESVSA-N 1 1 254.290 1.106 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229412 912320033 /nfs/dbraw/zinc/32/00/33/912320033.db2.gz UQHOFXVHUUCLQI-JTQLQIEISA-N 1 1 265.313 1.204 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC001173229438 912321053 /nfs/dbraw/zinc/32/10/53/912321053.db2.gz UZBGOQXBVQMZNF-NSHDSACASA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH3+])CC1 ZINC001173214300 912337123 /nfs/dbraw/zinc/33/71/23/912337123.db2.gz AKIBILNKRDDJHJ-ZDUSSCGKSA-N 1 1 292.383 1.102 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001168754625 922596185 /nfs/dbraw/zinc/59/61/85/922596185.db2.gz SPRJYAXSHQOACE-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncccc2O)C1 ZINC001168981172 927568736 /nfs/dbraw/zinc/56/87/36/927568736.db2.gz GOKNNLAUFWKRCU-NXEZZACHSA-N 1 1 251.286 1.322 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169034237 927640849 /nfs/dbraw/zinc/64/08/49/927640849.db2.gz GHFDXUOJYCXTLA-SGMGOOAPSA-N 1 1 284.356 1.707 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035995 927645188 /nfs/dbraw/zinc/64/51/88/927645188.db2.gz DZYZEOSMWPANCU-WOPDTQHZSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(C3CCOCC3)CC2)C1 ZINC001169024378 927662330 /nfs/dbraw/zinc/66/23/30/927662330.db2.gz GWBDQDQZCIMOMZ-DZGCQCFKSA-N 1 1 297.399 1.228 20 5 CDBDMO CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026951 927666190 /nfs/dbraw/zinc/66/61/90/927666190.db2.gz ONXLDMPITKSUJJ-YPMHNXCESA-N 1 1 256.346 1.933 20 5 CDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])n1 ZINC001159783608 930844203 /nfs/dbraw/zinc/84/42/03/930844203.db2.gz DZCSAEBHRVOOOE-MRVPVSSYSA-N 1 1 273.724 1.387 20 5 CDBDMO C[C@@H](CO)CCNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160607979 938803959 /nfs/dbraw/zinc/80/39/59/938803959.db2.gz JLJUHHYWNUDFNA-OKPNEXGHSA-N 1 1 294.355 1.953 20 5 CDBDMO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCC1(F)F ZINC001164316729 939452951 /nfs/dbraw/zinc/45/29/51/939452951.db2.gz GDMOWPQEBZLHGM-QMMMGPOBSA-N 1 1 292.673 1.816 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1COC[C@H]1C[N@H+](C)CCO1 ZINC001223108710 941659076 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ZINC000331277063 357330336 /nfs/dbraw/zinc/33/03/36/357330336.db2.gz JHAOIYDLIAZVNU-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282709075 357471214 /nfs/dbraw/zinc/47/12/14/357471214.db2.gz PKQXYTCWRRDGHJ-VIFPVBQESA-N 1 1 269.276 1.159 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCOC1 ZINC000361268240 358135592 /nfs/dbraw/zinc/13/55/92/358135592.db2.gz UTLVYGQYLWBTTB-SNVBAGLBSA-N 1 1 290.323 1.939 20 5 CDBDMO COc1ccc(C[N@@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000048065117 359188560 /nfs/dbraw/zinc/18/85/60/359188560.db2.gz SCNNRGBRSOMSDX-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559796 363639698 /nfs/dbraw/zinc/63/96/98/363639698.db2.gz BIZCKMONUAWHGO-GXSJLCMTSA-N 1 1 265.317 1.161 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112926393 359365858 /nfs/dbraw/zinc/36/58/58/359365858.db2.gz DROBYLVZZLASST-UHFFFAOYSA-N 1 1 299.302 1.181 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)C2CCC2)cc1 ZINC000221173973 359486575 /nfs/dbraw/zinc/48/65/75/359486575.db2.gz OPZLBXMBOFTDCL-UHFFFAOYSA-N 1 1 264.325 1.984 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963629 359530823 /nfs/dbraw/zinc/53/08/23/359530823.db2.gz LGUAEKPHLZSKIG-MRVPVSSYSA-N 1 1 285.731 1.862 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000050103471 359571525 /nfs/dbraw/zinc/57/15/25/359571525.db2.gz LEXLGUNNDBMQON-UHFFFAOYSA-N 1 1 299.758 1.358 20 5 CDBDMO Cc1ccc2[nH+]c(Cn3ccc(=O)c([N+](=O)[O-])c3)cn2c1 ZINC000174101325 237390492 /nfs/dbraw/zinc/39/04/92/237390492.db2.gz TWUXBXCTNZNIIC-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235379154 360064559 /nfs/dbraw/zinc/06/45/59/360064559.db2.gz HFYNLUORDXZECD-CYBMUJFWSA-N 1 1 281.287 1.431 20 5 CDBDMO CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298310522 200391014 /nfs/dbraw/zinc/39/10/14/200391014.db2.gz ZCPOOGJHDWGXFC-UHFFFAOYSA-N 1 1 265.313 1.505 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176667616 189003922 /nfs/dbraw/zinc/00/39/22/189003922.db2.gz UTEVOHVTRIFOME-SECBINFHSA-N 1 1 278.312 1.001 20 5 CDBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000449540122 360174026 /nfs/dbraw/zinc/17/40/26/360174026.db2.gz IVOZBKQTQMKXHQ-BETUJISGSA-N 1 1 293.367 1.482 20 5 CDBDMO CCCC[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563657 189127188 /nfs/dbraw/zinc/12/71/88/189127188.db2.gz QJYBEVKLRPNDJO-AWEZNQCLSA-N 1 1 282.340 1.723 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181555232 189300583 /nfs/dbraw/zinc/30/05/83/189300583.db2.gz SQSYSERCYFNUMF-NSHDSACASA-N 1 1 266.297 1.429 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000301756674 201180532 /nfs/dbraw/zinc/18/05/32/201180532.db2.gz LAOWZXTVKATHSP-ZWNOBZJWSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000301756674 201180534 /nfs/dbraw/zinc/18/05/34/201180534.db2.gz LAOWZXTVKATHSP-ZWNOBZJWSA-N 1 1 265.313 1.726 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000189673524 189542709 /nfs/dbraw/zinc/54/27/09/189542709.db2.gz QWGGDAYAOVMCQC-CYBMUJFWSA-N 1 1 280.324 1.832 20 5 CDBDMO C[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174822424 364573719 /nfs/dbraw/zinc/57/37/19/364573719.db2.gz NMUOBSMRLFILSD-UHFFFAOYSA-N 1 1 274.324 1.966 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000365531963 364934730 /nfs/dbraw/zinc/93/47/30/364934730.db2.gz HFUDNTQTYMYBAE-SNVBAGLBSA-N 1 1 288.311 1.502 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813696 365002461 /nfs/dbraw/zinc/00/24/61/365002461.db2.gz HYOOUMFKVZYADL-GXFFZTMASA-N 1 1 266.297 1.286 20 5 CDBDMO CNc1nc(C(=O)NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000455663156 252401261 /nfs/dbraw/zinc/40/12/61/252401261.db2.gz LGMXWXLTOSVJCH-UHFFFAOYSA-N 1 1 295.343 1.102 20 5 CDBDMO CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270697116 366923360 /nfs/dbraw/zinc/92/33/60/366923360.db2.gz HHYFHUKTMSJWLU-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270697116 366923362 /nfs/dbraw/zinc/92/33/62/366923362.db2.gz HHYFHUKTMSJWLU-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272258586 367571299 /nfs/dbraw/zinc/57/12/99/367571299.db2.gz ZPZYGOKGKHWGQD-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000330665838 203092250 /nfs/dbraw/zinc/09/22/50/203092250.db2.gz HHRMAKRHEVVOIB-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000330665838 203092252 /nfs/dbraw/zinc/09/22/52/203092252.db2.gz HHRMAKRHEVVOIB-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420376881 244171558 /nfs/dbraw/zinc/17/15/58/244171558.db2.gz ASRQJEJRHZDTOA-OCCSQVGLSA-N 1 1 293.371 1.255 20 5 CDBDMO Cc1c(C[N@H+](C)[C@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000330819212 203273055 /nfs/dbraw/zinc/27/30/55/203273055.db2.gz ONNNUXINPKFHLQ-AWEZNQCLSA-N 1 1 280.324 1.486 20 5 CDBDMO CC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889415 203358373 /nfs/dbraw/zinc/35/83/73/203358373.db2.gz VEQMYJRFEGSETG-CABCVRRESA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889415 203358378 /nfs/dbraw/zinc/35/83/78/203358378.db2.gz VEQMYJRFEGSETG-CABCVRRESA-N 1 1 293.367 1.702 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367833842 370965099 /nfs/dbraw/zinc/96/50/99/370965099.db2.gz SSZJUHBXIYOJKV-ZDUSSCGKSA-N 1 1 294.355 1.540 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000131852906 139845442 /nfs/dbraw/zinc/84/54/42/139845442.db2.gz UQBYENSVMCTHGF-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)CO ZINC000131852906 139845443 /nfs/dbraw/zinc/84/54/43/139845443.db2.gz UQBYENSVMCTHGF-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO C[N@@H+](CCn1nccc1[N+](=O)[O-])Cc1ccccc1 ZINC000295665983 370558184 /nfs/dbraw/zinc/55/81/84/370558184.db2.gz FNUSZMBMWBMBFQ-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000091559426 374041789 /nfs/dbraw/zinc/04/17/89/374041789.db2.gz LKGZXWVRJDFHLT-JTQLQIEISA-N 1 1 281.360 1.787 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCN1C ZINC000423507195 374385272 /nfs/dbraw/zinc/38/52/72/374385272.db2.gz HTFBPFRNYOUJMQ-TZMCWYRMSA-N 1 1 292.383 1.019 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484575 374386175 /nfs/dbraw/zinc/38/61/75/374386175.db2.gz YPTOSGLJHWQCGA-CMPLNLGQSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423484575 374386188 /nfs/dbraw/zinc/38/61/88/374386188.db2.gz YPTOSGLJHWQCGA-CMPLNLGQSA-N 1 1 251.330 1.853 20 5 CDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c([N+](=O)[O-])ncn4C)[C@H]1[C@H]3C2 ZINC000375738495 374510311 /nfs/dbraw/zinc/51/03/11/374510311.db2.gz OSBQYYHFWHFYJP-ZIIUWJBSSA-N 1 1 292.339 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCN2CCc3n[nH]nc3C2)cc1 ZINC000429283047 374576145 /nfs/dbraw/zinc/57/61/45/374576145.db2.gz HZGFTXNCRIZIOP-UHFFFAOYSA-N 1 1 289.295 1.150 20 5 CDBDMO CCC[C@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544456 374608431 /nfs/dbraw/zinc/60/84/31/374608431.db2.gz PWWRFFRPLFEUCP-ZDUSSCGKSA-N 1 1 282.344 1.276 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360719 374747738 /nfs/dbraw/zinc/74/77/38/374747738.db2.gz QCKLXMDBOCGEBZ-CYBMUJFWSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670928 374802218 /nfs/dbraw/zinc/80/22/18/374802218.db2.gz PSKFJXFEVNBTCY-LLVKDONJSA-N 1 1 295.343 1.298 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268642 375070036 /nfs/dbraw/zinc/07/00/36/375070036.db2.gz UMEDVIIDEVOMFM-HNNXBMFYSA-N 1 1 289.335 1.763 20 5 CDBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282449593 375086345 /nfs/dbraw/zinc/08/63/45/375086345.db2.gz SIKZWZQNSAQAPM-CYBMUJFWSA-N 1 1 277.324 1.614 20 5 CDBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCNC1=O ZINC000282449593 375086350 /nfs/dbraw/zinc/08/63/50/375086350.db2.gz SIKZWZQNSAQAPM-CYBMUJFWSA-N 1 1 277.324 1.614 20 5 CDBDMO COc1ccc(C[N@H+](CC(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000131277723 375211499 /nfs/dbraw/zinc/21/14/99/375211499.db2.gz JHKFJRNLYKZBLQ-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO COc1ccc(C[N@@H+](CC(N)=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000131277723 375211501 /nfs/dbraw/zinc/21/15/01/375211501.db2.gz JHKFJRNLYKZBLQ-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000351491332 375302625 /nfs/dbraw/zinc/30/26/25/375302625.db2.gz JOLNWLKSDYVIPR-BYCMXARLSA-N 1 1 291.351 1.643 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000351645612 375315368 /nfs/dbraw/zinc/31/53/68/375315368.db2.gz OEJSBOBPFGWROE-UHFFFAOYSA-N 1 1 273.296 1.314 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351823396 375333143 /nfs/dbraw/zinc/33/31/43/375333143.db2.gz MKELFUSQZNYDQL-MFKMUULPSA-N 1 1 293.323 1.154 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351823396 375333146 /nfs/dbraw/zinc/33/31/46/375333146.db2.gz MKELFUSQZNYDQL-MFKMUULPSA-N 1 1 293.323 1.154 20 5 CDBDMO C[C@H]1[N@H+](CCn2ccc([N+](=O)[O-])n2)CCOC1(C)C ZINC000357007290 375542185 /nfs/dbraw/zinc/54/21/85/375542185.db2.gz CRLNPIAZDOVCCN-SNVBAGLBSA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCOC1(C)C ZINC000357007290 375542188 /nfs/dbraw/zinc/54/21/88/375542188.db2.gz CRLNPIAZDOVCCN-SNVBAGLBSA-N 1 1 268.317 1.291 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000353198978 375585660 /nfs/dbraw/zinc/58/56/60/375585660.db2.gz ASVYFUGLBLPKKA-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344943925 375665340 /nfs/dbraw/zinc/66/53/40/375665340.db2.gz XJHBIBPPGNBSIX-LBPRGKRZSA-N 1 1 292.339 1.407 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356335352 375835739 /nfs/dbraw/zinc/83/57/39/375835739.db2.gz IKSSRADWRPDMNP-CYBMUJFWSA-N 1 1 293.323 1.370 20 5 CDBDMO C[C@@H]1COCCN1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192963168 378255362 /nfs/dbraw/zinc/25/53/62/378255362.db2.gz HAZQRYQIZCOCCE-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO C[C@@H]1COCCN1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192963168 378255368 /nfs/dbraw/zinc/25/53/68/378255368.db2.gz HAZQRYQIZCOCCE-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266534322 190264958 /nfs/dbraw/zinc/26/49/58/190264958.db2.gz NETOWQZGWYECKI-NSHDSACASA-N 1 1 296.323 1.703 20 5 CDBDMO CC[N@@H+](CCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266545242 190265864 /nfs/dbraw/zinc/26/58/64/190265864.db2.gz JIQMXZBNKSDMIB-UHFFFAOYSA-N 1 1 298.339 1.687 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)Cc2ccccc2)c1 ZINC000266898429 190288560 /nfs/dbraw/zinc/28/85/60/190288560.db2.gz HJPKDAIYZGYBMV-UHFFFAOYSA-N 1 1 290.323 1.286 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246521525 379596322 /nfs/dbraw/zinc/59/63/22/379596322.db2.gz FTTAZMBHGYOOTK-AAEUAGOBSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc[nH]2)n1 ZINC000267066344 190301116 /nfs/dbraw/zinc/30/11/16/190301116.db2.gz JTDRIOJZNFHIHA-LBPRGKRZSA-N 1 1 275.312 1.957 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199323 190385513 /nfs/dbraw/zinc/38/55/13/190385513.db2.gz OJIVUHPFYIYKLB-HZMBPMFUSA-N 1 1 289.335 1.807 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCc3occc3C2)n1 ZINC000288792655 197167498 /nfs/dbraw/zinc/16/74/98/197167498.db2.gz LGUXHAIWRRLZLJ-UHFFFAOYSA-N 1 1 276.296 1.833 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819792 195395986 /nfs/dbraw/zinc/39/59/86/195395986.db2.gz WUPZKWAOPDTHKE-ZYHUDNBSSA-N 1 1 268.317 1.291 20 5 CDBDMO Cc1nc(N(C)[C@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959216 390581810 /nfs/dbraw/zinc/58/18/10/390581810.db2.gz XVZXISVOUFHXPP-NSHDSACASA-N 1 1 279.344 1.612 20 5 CDBDMO CCC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451051362 390591439 /nfs/dbraw/zinc/59/14/39/390591439.db2.gz UYKUWXXLAOCNTO-ZDUSSCGKSA-N 1 1 280.324 1.950 20 5 CDBDMO CCC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451051362 390591445 /nfs/dbraw/zinc/59/14/45/390591445.db2.gz UYKUWXXLAOCNTO-ZDUSSCGKSA-N 1 1 280.324 1.950 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)CCCOC ZINC000360998220 390618707 /nfs/dbraw/zinc/61/87/07/390618707.db2.gz ZBAODYSUBBEIQF-UHFFFAOYSA-N 1 1 299.375 1.500 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401683 391157311 /nfs/dbraw/zinc/15/73/11/391157311.db2.gz LXGMKGUJPDINAH-XEZLXBQYSA-N 1 1 262.309 1.826 20 5 CDBDMO C[C@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413260848 391185726 /nfs/dbraw/zinc/18/57/26/391185726.db2.gz RNIKCKCCLQFPAO-SNVBAGLBSA-N 1 1 298.318 1.022 20 5 CDBDMO C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408067740 391232438 /nfs/dbraw/zinc/23/24/38/391232438.db2.gz NXXYQKOQBCFNTJ-BDAKNGLRSA-N 1 1 295.368 1.833 20 5 CDBDMO CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797847 391432089 /nfs/dbraw/zinc/43/20/89/391432089.db2.gz PESHLIFUGKPVLA-CYBMUJFWSA-N 1 1 294.351 1.991 20 5 CDBDMO NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000073448377 391665974 /nfs/dbraw/zinc/66/59/74/391665974.db2.gz QFXNZYGCFUWASA-UHFFFAOYSA-N 1 1 296.302 1.096 20 5 CDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(O)c1 ZINC000341810370 130071819 /nfs/dbraw/zinc/07/18/19/130071819.db2.gz ULKRPZVIUBBFDZ-VIFPVBQESA-N 1 1 276.296 1.885 20 5 CDBDMO [NH3+]C1(CNCCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342089809 130303912 /nfs/dbraw/zinc/30/39/12/130303912.db2.gz BLZNFRGFDZYDKT-UHFFFAOYSA-N 1 1 292.339 1.394 20 5 CDBDMO NC1(C[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342089809 130303914 /nfs/dbraw/zinc/30/39/14/130303914.db2.gz BLZNFRGFDZYDKT-UHFFFAOYSA-N 1 1 292.339 1.394 20 5 CDBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189790605 391799426 /nfs/dbraw/zinc/79/94/26/391799426.db2.gz INHVUSQFSFGOHA-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189790605 391799429 /nfs/dbraw/zinc/79/94/29/391799429.db2.gz INHVUSQFSFGOHA-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CC[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218009 392887429 /nfs/dbraw/zinc/88/74/29/392887429.db2.gz FKLVAWKFUWXVBY-WCQYABFASA-N 1 1 294.355 1.901 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000430204923 393093260 /nfs/dbraw/zinc/09/32/60/393093260.db2.gz SLOCZTRDPYCQSM-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000430204923 393093266 /nfs/dbraw/zinc/09/32/66/393093266.db2.gz SLOCZTRDPYCQSM-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000430240226 393094681 /nfs/dbraw/zinc/09/46/81/393094681.db2.gz LZOAXEOZFQCMFJ-JQWIXIFHSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280805065 393151753 /nfs/dbraw/zinc/15/17/53/393151753.db2.gz SMGMEHRUQAKZJX-HZMBPMFUSA-N 1 1 277.324 1.853 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834831 393159759 /nfs/dbraw/zinc/15/97/59/393159759.db2.gz INUHJOOMFKQBRN-VXNVDRBHSA-N 1 1 268.342 1.946 20 5 CDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncccc1[N+](=O)[O-] ZINC000275840931 135113737 /nfs/dbraw/zinc/11/37/37/135113737.db2.gz PVDFJSQQOJBSGA-LLVKDONJSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889181 140279077 /nfs/dbraw/zinc/27/90/77/140279077.db2.gz JJLMCEOMDHUEBG-WDEREUQCSA-N 1 1 252.318 1.769 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249529655 140295189 /nfs/dbraw/zinc/29/51/89/140295189.db2.gz ZVEBGXDEZJUREW-OLZOCXBDSA-N 1 1 293.367 1.482 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667292 140321761 /nfs/dbraw/zinc/32/17/61/140321761.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667292 140321762 /nfs/dbraw/zinc/32/17/62/140321762.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 1 1 291.351 1.548 20 5 CDBDMO CNCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423225928 397602837 /nfs/dbraw/zinc/60/28/37/397602837.db2.gz OTSMYQTZKMSRSG-ZDUSSCGKSA-N 1 1 263.341 1.725 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000305729106 149147190 /nfs/dbraw/zinc/14/71/90/149147190.db2.gz MRHMQBAASYSSMG-NTZNESFSSA-N 1 1 282.344 1.130 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334041757 149305611 /nfs/dbraw/zinc/30/56/11/149305611.db2.gz BQUJAPHEJRRLOR-ONGXEEELSA-N 1 1 292.339 1.511 20 5 CDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353485894 155890896 /nfs/dbraw/zinc/89/08/96/155890896.db2.gz VZAKGKZWZKZBHZ-UHFFFAOYSA-N 1 1 280.324 1.819 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1C1CC1 ZINC000372349152 160109505 /nfs/dbraw/zinc/10/95/05/160109505.db2.gz INWPMGVOHLVUPM-ZDUSSCGKSA-N 1 1 277.324 1.631 20 5 CDBDMO C[C@@H]1COCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000374338008 160274818 /nfs/dbraw/zinc/27/48/18/160274818.db2.gz BFSVPDWVGDUEKV-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285469409 196295396 /nfs/dbraw/zinc/29/53/96/196295396.db2.gz BCHMMEFREQGSMI-JTQLQIEISA-N 1 1 296.323 1.928 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285469409 196295398 /nfs/dbraw/zinc/29/53/98/196295398.db2.gz BCHMMEFREQGSMI-JTQLQIEISA-N 1 1 296.323 1.928 20 5 CDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000131887663 274034773 /nfs/dbraw/zinc/03/47/73/274034773.db2.gz SZEJGMPBRUTKQN-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000361556739 280152182 /nfs/dbraw/zinc/15/21/82/280152182.db2.gz KNBGPFPRYSRQGO-ZDUSSCGKSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912122 316140819 /nfs/dbraw/zinc/14/08/19/316140819.db2.gz JKBVGYMWEMOELW-SECBINFHSA-N 1 1 289.295 1.646 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775428 332025258 /nfs/dbraw/zinc/02/52/58/332025258.db2.gz KXTXUSSEQREMJD-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775428 332025259 /nfs/dbraw/zinc/02/52/59/332025259.db2.gz KXTXUSSEQREMJD-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO CC(C)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168966632 1161996445 /nfs/dbraw/zinc/99/64/45/1161996445.db2.gz KHRVLRBZHZAGCG-GXTWGEPZSA-N 1 1 269.389 1.894 20 5 CDBDMO COCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049236861 523635259 /nfs/dbraw/zinc/63/52/59/523635259.db2.gz NJKQAHODKMIVJJ-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO COCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049236861 523635269 /nfs/dbraw/zinc/63/52/69/523635269.db2.gz NJKQAHODKMIVJJ-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000054985613 527491480 /nfs/dbraw/zinc/49/14/80/527491480.db2.gz YJHOKPCIRDISGI-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000054985613 527491485 /nfs/dbraw/zinc/49/14/85/527491485.db2.gz YJHOKPCIRDISGI-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000426909848 536885496 /nfs/dbraw/zinc/88/54/96/536885496.db2.gz SCIUJNPKPYBGJA-UHFFFAOYSA-N 1 1 293.323 1.427 20 5 CDBDMO COC[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739868067 576392254 /nfs/dbraw/zinc/39/22/54/576392254.db2.gz DIVXXMKKUPGPTJ-NSHDSACASA-N 1 1 290.323 1.870 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893727 576441352 /nfs/dbraw/zinc/44/13/52/576441352.db2.gz OJRTVPRXSYXAJI-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761078302 576543781 /nfs/dbraw/zinc/54/37/81/576543781.db2.gz BKFXMJMYPJLLCC-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078302 576543783 /nfs/dbraw/zinc/54/37/83/576543783.db2.gz BKFXMJMYPJLLCC-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078302 576543786 /nfs/dbraw/zinc/54/37/86/576543786.db2.gz BKFXMJMYPJLLCC-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO COc1c(O)ccc(C[NH+]2CCC(C)(O)CC2)c1[N+](=O)[O-] ZINC000892054335 617449154 /nfs/dbraw/zinc/44/91/54/617449154.db2.gz BEPHMRQYZAJRHB-UHFFFAOYSA-N 1 1 296.323 1.656 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892721392 617654637 /nfs/dbraw/zinc/65/46/37/617654637.db2.gz MLRWKWZOZYBNQN-NSHDSACASA-N 1 1 281.360 1.496 20 5 CDBDMO Cc1c(Cc2noc(C3([NH3+])CC3)n2)cccc1[N+](=O)[O-] ZINC000843192896 617689866 /nfs/dbraw/zinc/68/98/66/617689866.db2.gz ZKONZRQPQULNAW-UHFFFAOYSA-N 1 1 274.280 1.825 20 5 CDBDMO CON(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895042169 619218849 /nfs/dbraw/zinc/21/88/49/619218849.db2.gz AONNEGBYMCDFPN-UHFFFAOYSA-N 1 1 287.703 1.358 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895247447 619492997 /nfs/dbraw/zinc/49/29/97/619492997.db2.gz TXLNJQIPTCEPAP-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000895247447 619493009 /nfs/dbraw/zinc/49/30/09/619493009.db2.gz TXLNJQIPTCEPAP-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000895247447 619493012 /nfs/dbraw/zinc/49/30/12/619493012.db2.gz TXLNJQIPTCEPAP-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO O=[N+]([O-])CCNCC1([NH+]2CCSCC2)CCCCC1 ZINC000905110958 626625219 /nfs/dbraw/zinc/62/52/19/626625219.db2.gz UBGAEZSEVQIAHN-UHFFFAOYSA-N 1 1 287.429 1.604 20 5 CDBDMO O=[N+]([O-])CCNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000905232341 626686517 /nfs/dbraw/zinc/68/65/17/626686517.db2.gz NRDSNJKUALNYDP-HNNXBMFYSA-N 1 1 293.367 1.144 20 5 CDBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000882487285 693887851 /nfs/dbraw/zinc/88/78/51/693887851.db2.gz CKWFQIIXRYSRBR-ZDUSSCGKSA-N 1 1 291.351 1.981 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451301 694892579 /nfs/dbraw/zinc/89/25/79/694892579.db2.gz SHKFKROQZNNEAF-ZWNOBZJWSA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840110 693960048 /nfs/dbraw/zinc/96/00/48/693960048.db2.gz TUFAYZLQDNXCHB-OLZOCXBDSA-N 1 1 290.367 1.811 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733447 693989053 /nfs/dbraw/zinc/98/90/53/693989053.db2.gz BCVHKLMTFQLGLM-SNVBAGLBSA-N 1 1 296.327 1.207 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880289357 694020323 /nfs/dbraw/zinc/02/03/23/694020323.db2.gz LKMRVEXQYOMSLL-WCQYABFASA-N 1 1 298.314 1.626 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140070 694144234 /nfs/dbraw/zinc/14/42/34/694144234.db2.gz WTXVLWBNMHNLEU-AAVRWANBSA-N 1 1 295.383 1.469 20 5 CDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178860006 688245104 /nfs/dbraw/zinc/24/51/04/688245104.db2.gz RBJQKTOAGXSDFC-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO CSC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000793798706 688261824 /nfs/dbraw/zinc/26/18/24/688261824.db2.gz YIHKXWUCYBNJPR-SNVBAGLBSA-N 1 1 270.358 1.824 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000793798706 688261833 /nfs/dbraw/zinc/26/18/33/688261833.db2.gz YIHKXWUCYBNJPR-SNVBAGLBSA-N 1 1 270.358 1.824 20 5 CDBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187404418 688319281 /nfs/dbraw/zinc/31/92/81/688319281.db2.gz QUWBARQIJYXUEM-FZMZJTMJSA-N 1 1 291.351 1.723 20 5 CDBDMO COC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591988 688456953 /nfs/dbraw/zinc/45/69/53/688456953.db2.gz NRUGVEDOIDUWBH-KGLIPLIRSA-N 1 1 280.324 1.739 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000931999566 688559610 /nfs/dbraw/zinc/55/96/10/688559610.db2.gz STZUAIDDZSNMNI-SECBINFHSA-N 1 1 283.284 1.086 20 5 CDBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccnc1[N+](=O)[O-] ZINC000886157750 688661115 /nfs/dbraw/zinc/66/11/15/688661115.db2.gz JZDWKMVRWLVYKH-UWVGGRQHSA-N 1 1 265.313 1.724 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000886481888 688887721 /nfs/dbraw/zinc/88/77/21/688887721.db2.gz KRWCTJDDYJNKRW-GHMZBOCLSA-N 1 1 251.286 1.335 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000872772893 694469686 /nfs/dbraw/zinc/46/96/86/694469686.db2.gz BZEVQKJURGPYHA-GFCCVEGCSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000872772893 694469696 /nfs/dbraw/zinc/46/96/96/694469696.db2.gz BZEVQKJURGPYHA-GFCCVEGCSA-N 1 1 294.355 1.700 20 5 CDBDMO Cn1c[nH+]cc1CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865669601 692260961 /nfs/dbraw/zinc/26/09/61/692260961.db2.gz FRUIJXNKEJUYAZ-UHFFFAOYSA-N 1 1 294.286 1.614 20 5 CDBDMO [NH3+]C1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000843219106 692691226 /nfs/dbraw/zinc/69/12/26/692691226.db2.gz VUEQRYXLAJIEKB-UHFFFAOYSA-N 1 1 252.255 1.654 20 5 CDBDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930475435 692759496 /nfs/dbraw/zinc/75/94/96/692759496.db2.gz HBLFZEPKSSVVKH-ZDUSSCGKSA-N 1 1 299.371 1.786 20 5 CDBDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000930475435 692759515 /nfs/dbraw/zinc/75/95/15/692759515.db2.gz HBLFZEPKSSVVKH-ZDUSSCGKSA-N 1 1 299.371 1.786 20 5 CDBDMO C[C@H]([NH3+])C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886827272 692779417 /nfs/dbraw/zinc/77/94/17/692779417.db2.gz IKUYWCKNMIQSHY-JTQLQIEISA-N 1 1 264.329 1.549 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886164535 693055607 /nfs/dbraw/zinc/05/56/07/693055607.db2.gz NBMRNXUXYFYHTA-GXSJLCMTSA-N 1 1 279.296 1.373 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886164535 693055612 /nfs/dbraw/zinc/05/56/12/693055612.db2.gz NBMRNXUXYFYHTA-GXSJLCMTSA-N 1 1 279.296 1.373 20 5 CDBDMO Cc1c(NC(=O)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000010495376 693075093 /nfs/dbraw/zinc/07/50/93/693075093.db2.gz GTUHLROXGQZHLU-UHFFFAOYSA-N 1 1 263.297 1.938 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000882480333 693307638 /nfs/dbraw/zinc/30/76/38/693307638.db2.gz QVPMXMIGZULCNB-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928564649 694640844 /nfs/dbraw/zinc/64/08/44/694640844.db2.gz WKDHQXVQRRRCKD-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928564649 694640846 /nfs/dbraw/zinc/64/08/46/694640846.db2.gz WKDHQXVQRRRCKD-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173450598 693396901 /nfs/dbraw/zinc/39/69/01/693396901.db2.gz WIXUOJKVMOGWFJ-GFCCVEGCSA-N 1 1 281.360 1.413 20 5 CDBDMO CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000831838482 694806471 /nfs/dbraw/zinc/80/64/71/694806471.db2.gz LDLCQRWEPAKESA-NSHDSACASA-N 1 1 271.361 1.375 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559234 694810922 /nfs/dbraw/zinc/81/09/22/694810922.db2.gz HJLYJFKJMJDNEM-ZLKJLUDKSA-N 1 1 280.324 1.473 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCn1cc[nH+]c1C ZINC000312813738 694814394 /nfs/dbraw/zinc/81/43/94/694814394.db2.gz RXKXZTSBGCWGCL-UHFFFAOYSA-N 1 1 278.316 1.737 20 5 CDBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930019410 694821979 /nfs/dbraw/zinc/82/19/79/694821979.db2.gz VNDCSUYZZWKNIN-CMPLNLGQSA-N 1 1 266.297 1.403 20 5 CDBDMO CCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932969921 694637237 /nfs/dbraw/zinc/63/72/37/694637237.db2.gz RKJZLGIUJVEUFM-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@H]1COCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590592 694638851 /nfs/dbraw/zinc/63/88/51/694638851.db2.gz IGQJEFKBCKQPAN-FZMZJTMJSA-N 1 1 280.324 1.739 20 5 CDBDMO CC(C)C[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000843223922 694831617 /nfs/dbraw/zinc/83/16/17/694831617.db2.gz XLNJTMGGQHBVRP-ZETCQYMHSA-N 1 1 280.288 1.424 20 5 CDBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053204 694836731 /nfs/dbraw/zinc/83/67/31/694836731.db2.gz JFBKYALOWKSWJG-LLVKDONJSA-N 1 1 275.312 1.537 20 5 CDBDMO C[N@@H+](CCCF)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887141286 694841091 /nfs/dbraw/zinc/84/10/91/694841091.db2.gz MYADTFQIIWZWAG-NSHDSACASA-N 1 1 286.303 1.626 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000933249362 694842406 /nfs/dbraw/zinc/84/24/06/694842406.db2.gz GFMWFFSOIYZWGV-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@H]1CN(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933249362 694842407 /nfs/dbraw/zinc/84/24/07/694842407.db2.gz GFMWFFSOIYZWGV-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933249362 694842408 /nfs/dbraw/zinc/84/24/08/694842408.db2.gz GFMWFFSOIYZWGV-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662743 694846310 /nfs/dbraw/zinc/84/63/10/694846310.db2.gz KQRUWWCFIWWTDE-CHWSQXEVSA-N 1 1 283.372 1.136 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064058 694896709 /nfs/dbraw/zinc/89/67/09/694896709.db2.gz SRLVMRAZFFFYEA-WRWGMCAJSA-N 1 1 295.364 1.150 20 5 CDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162690 695093616 /nfs/dbraw/zinc/09/36/16/695093616.db2.gz VYGJBHWBUWBWHZ-NQBHXWOUSA-N 1 1 279.340 1.971 20 5 CDBDMO C[C@H](CN)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940339 1186769972 /nfs/dbraw/zinc/76/99/72/1186769972.db2.gz OVVDFGLWDAYJIJ-LLVKDONJSA-N 1 1 267.329 1.643 20 5 CDBDMO C[C@H](CN)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000430940339 1186769976 /nfs/dbraw/zinc/76/99/76/1186769976.db2.gz OVVDFGLWDAYJIJ-LLVKDONJSA-N 1 1 267.329 1.643 20 5 CDBDMO CC(C)(O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000778216936 723096857 /nfs/dbraw/zinc/09/68/57/723096857.db2.gz SOFVOVUDGVIOMM-AWEZNQCLSA-N 1 1 294.351 1.864 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839551209 723107669 /nfs/dbraw/zinc/10/76/69/723107669.db2.gz KHCBLEYJWWSLGT-JHJVBQTASA-N 1 1 295.314 1.210 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614874 723328113 /nfs/dbraw/zinc/32/81/13/723328113.db2.gz GXSVDZQUAIBDCP-DOMZBBRYSA-N 1 1 292.335 1.808 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614874 723328120 /nfs/dbraw/zinc/32/81/20/723328120.db2.gz GXSVDZQUAIBDCP-DOMZBBRYSA-N 1 1 292.335 1.808 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[NH+]2CCC2)c1F ZINC000830936839 723328909 /nfs/dbraw/zinc/32/89/09/723328909.db2.gz FEHNKJWFKITLSR-UHFFFAOYSA-N 1 1 299.277 1.617 20 5 CDBDMO C[C@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000842637952 723333637 /nfs/dbraw/zinc/33/36/37/723333637.db2.gz UQWQDDZQSOCWPP-NSHDSACASA-N 1 1 280.328 1.640 20 5 CDBDMO C[C@H]1CC2(C[N@H+]1Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000842637952 723333640 /nfs/dbraw/zinc/33/36/40/723333640.db2.gz UQWQDDZQSOCWPP-NSHDSACASA-N 1 1 280.328 1.640 20 5 CDBDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547336 723366342 /nfs/dbraw/zinc/36/63/42/723366342.db2.gz RDMSGMRZYVNBCC-RKQHYHRCSA-N 1 1 295.383 1.515 20 5 CDBDMO COc1ccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1 ZINC000929431189 723682068 /nfs/dbraw/zinc/68/20/68/723682068.db2.gz UTFTWZZZEXHHQN-LBPRGKRZSA-N 1 1 250.298 1.761 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164667993 719372477 /nfs/dbraw/zinc/37/24/77/719372477.db2.gz MKTYNTONIGOSQD-VHSXEESVSA-N 1 1 298.730 1.162 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000357630732 719399247 /nfs/dbraw/zinc/39/92/47/719399247.db2.gz QJKCWZZGUDTJOV-NWDGAFQWSA-N 1 1 292.339 1.126 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859995 723277469 /nfs/dbraw/zinc/27/74/69/723277469.db2.gz RBJQKTOAGXSDFC-KGLIPLIRSA-N 1 1 280.324 1.739 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000712322896 723453246 /nfs/dbraw/zinc/45/32/46/723453246.db2.gz GYQSFFKTLNBZHV-ZETCQYMHSA-N 1 1 285.250 1.307 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000712322896 723453254 /nfs/dbraw/zinc/45/32/54/723453254.db2.gz GYQSFFKTLNBZHV-ZETCQYMHSA-N 1 1 285.250 1.307 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC001173221179 912304022 /nfs/dbraw/zinc/30/40/22/912304022.db2.gz GDTGCFAUWCUNCL-BXUZGUMPSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001173225151 912316638 /nfs/dbraw/zinc/31/66/38/912316638.db2.gz BPTJGPXFSJVUFR-SWHYSGLUSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001173225151 912316658 /nfs/dbraw/zinc/31/66/58/912316658.db2.gz BPTJGPXFSJVUFR-SWHYSGLUSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CC[C@H]2C1 ZINC001173238324 912364148 /nfs/dbraw/zinc/36/41/48/912364148.db2.gz PJOXEHOHIPRHBU-DOMZBBRYSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CC[C@H]2C1 ZINC001173238324 912364165 /nfs/dbraw/zinc/36/41/65/912364165.db2.gz PJOXEHOHIPRHBU-DOMZBBRYSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2CC[C@H]2C1 ZINC001173238324 912364191 /nfs/dbraw/zinc/36/41/91/912364191.db2.gz PJOXEHOHIPRHBU-DOMZBBRYSA-N 1 1 275.352 1.916 20 5 CDBDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546293 912465942 /nfs/dbraw/zinc/46/59/42/912465942.db2.gz PQFODODAHYVPBA-DGCLKSJQSA-N 1 1 282.344 1.884 20 5 CDBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000173546293 912465950 /nfs/dbraw/zinc/46/59/50/912465950.db2.gz PQFODODAHYVPBA-DGCLKSJQSA-N 1 1 282.344 1.884 20 5 CDBDMO COc1cc(C)c([N+](=O)[O-])cc1-n1cnc(C[NH3+])cc1=N ZINC001167359954 895431381 /nfs/dbraw/zinc/43/13/81/895431381.db2.gz YAQURXSZJJNHGW-UHFFFAOYSA-N 1 1 289.295 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/nfs/dbraw/zinc/66/18/12/910661812.db2.gz PTSFZWPKXCWLKE-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1Nc1nccnc1C[NH3+] ZINC001171450571 910743981 /nfs/dbraw/zinc/74/39/81/910743981.db2.gz UXPMWMCRNFOKQQ-UHFFFAOYSA-N 1 1 259.269 1.896 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC001325225935 915675512 /nfs/dbraw/zinc/67/55/12/915675512.db2.gz IYJGVUNGTXHLRM-JTQLQIEISA-N 1 1 280.303 1.803 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830086424 936444446 /nfs/dbraw/zinc/44/44/46/936444446.db2.gz ZEEMWTLLOSXRDC-ZYHUDNBSSA-N 1 1 286.715 1.752 20 5 CDBDMO C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013424 927620117 /nfs/dbraw/zinc/62/01/17/927620117.db2.gz UYBICCBBGNKFFC-NDBYEHHHSA-N 1 1 256.346 1.525 20 5 CDBDMO CCCO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027013 927633174 /nfs/dbraw/zinc/63/31/74/927633174.db2.gz OSLAGICKGBXCCV-FRRDWIJNSA-N 1 1 256.346 1.933 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033653 927642512 /nfs/dbraw/zinc/64/25/12/927642512.db2.gz CZFWEROHJHMMQO-QJPTWQEYSA-N 1 1 270.329 1.317 20 5 CDBDMO CN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026225 927666858 /nfs/dbraw/zinc/66/68/58/927666858.db2.gz WADQZAOOLASDJI-TZMCWYRMSA-N 1 1 290.367 1.779 20 5 CDBDMO Cn1cnc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047607 927667224 /nfs/dbraw/zinc/66/72/24/927667224.db2.gz RPBWWCWUXTYCLJ-MNOVXSKESA-N 1 1 264.329 1.224 20 5 CDBDMO C[C@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592619 927785306 /nfs/dbraw/zinc/78/53/06/927785306.db2.gz QZUUMXFZINNBJB-OLZOCXBDSA-N 1 1 266.297 1.085 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559232 927816207 /nfs/dbraw/zinc/81/62/07/927816207.db2.gz HJLYJFKJMJDNEM-HONMWMINSA-N 1 1 280.324 1.473 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001156660902 928898550 /nfs/dbraw/zinc/89/85/50/928898550.db2.gz VGTIFJMMGQMLGL-RXMQYKEDSA-N 1 1 289.748 1.516 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000882961835 930111525 /nfs/dbraw/zinc/11/15/25/930111525.db2.gz YZJOCMUJEUZFBT-NSHDSACASA-N 1 1 292.339 1.461 20 5 CDBDMO Cc1c(C(=O)NCC[NH+]2CC=CC2)cccc1[N+](=O)[O-] ZINC001116193217 937435446 /nfs/dbraw/zinc/43/54/46/937435446.db2.gz PJJFZRSNJXQDOC-UHFFFAOYSA-N 1 1 275.308 1.505 20 5 CDBDMO Cc1cc(Cl)c(N[C@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170907203 930720225 /nfs/dbraw/zinc/72/02/25/930720225.db2.gz ZRSHEZIVNXVTLG-JTQLQIEISA-N 1 1 272.736 1.992 20 5 CDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249567 930840037 /nfs/dbraw/zinc/84/00/37/930840037.db2.gz NLSIQDYHCZRGLG-PWSUYJOCSA-N 1 1 265.313 1.583 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C[NH3+])n2)c1 ZINC000823088130 931252362 /nfs/dbraw/zinc/25/23/62/931252362.db2.gz HZEXFHOKHDKEIL-UHFFFAOYSA-N 1 1 264.241 1.036 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000930672244 933426243 /nfs/dbraw/zinc/42/62/43/933426243.db2.gz HVDVPVNXKZCWFH-UHFFFAOYSA-N 1 1 283.294 1.612 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000930672244 933426245 /nfs/dbraw/zinc/42/62/45/933426245.db2.gz HVDVPVNXKZCWFH-UHFFFAOYSA-N 1 1 283.294 1.612 20 5 CDBDMO CC(C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437417 935885044 /nfs/dbraw/zinc/88/50/44/935885044.db2.gz QCCRWYWORKISNT-GHMZBOCLSA-N 1 1 269.345 1.031 20 5 CDBDMO Cc1c(C)c(N2CCC(F)(F)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001164322431 939455123 /nfs/dbraw/zinc/45/51/23/939455123.db2.gz ANAYMNDVGSQMTG-JTQLQIEISA-N 1 1 286.282 1.779 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]2C1 ZINC001165149976 939519039 /nfs/dbraw/zinc/51/90/39/939519039.db2.gz LVBGUCWXWYMBBE-AOOOYVTPSA-N 1 1 287.323 1.469 20 5 CDBDMO Cc1c[n+]([O-])c(NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001165261351 939535885 /nfs/dbraw/zinc/53/58/85/939535885.db2.gz OYKYVPUMUNGJBX-GFCCVEGCSA-N 1 1 294.355 1.680 20 5 CDBDMO Cc1c(COC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223329837 941670391 /nfs/dbraw/zinc/67/03/91/941670391.db2.gz AJNNFTMEXZSDEW-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1c(COC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223329837 941670394 /nfs/dbraw/zinc/67/03/94/941670394.db2.gz AJNNFTMEXZSDEW-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227227708 942152985 /nfs/dbraw/zinc/15/29/85/942152985.db2.gz BZUJNQHCMPPGTD-SECBINFHSA-N 1 1 263.253 1.819 20 5 CDBDMO Cc1cnc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227236997 942155303 /nfs/dbraw/zinc/15/53/03/942155303.db2.gz NUBDZOBTISCZDV-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO CC[NH+]1CCC(Oc2nc(C)cc(O)c2[N+](=O)[O-])CC1 ZINC001231258623 942836324 /nfs/dbraw/zinc/83/63/24/942836324.db2.gz BETJYWZJQCCCPW-UHFFFAOYSA-N 1 1 281.312 1.867 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233597206 943623760 /nfs/dbraw/zinc/62/37/60/943623760.db2.gz JNLYEFIWLGRPKX-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC001261851285 946303152 /nfs/dbraw/zinc/30/31/52/946303152.db2.gz ODSJLPONQGNCKO-NSHDSACASA-N 1 1 279.344 1.614 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001254550177 947522765 /nfs/dbraw/zinc/52/27/65/947522765.db2.gz DZRWVSFZKDYIJP-MPKXVKKWSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H]1C[C@@H](CO)[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254595897 947545656 /nfs/dbraw/zinc/54/56/56/947545656.db2.gz ADLWHENTVOMKPE-VQISRLSMSA-N 1 1 276.336 1.765 20 5 CDBDMO COCC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595940 947546095 /nfs/dbraw/zinc/54/60/95/947546095.db2.gz AKLRLJPMKATDEE-ZDUSSCGKSA-N 1 1 250.298 1.640 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602051 947548939 /nfs/dbraw/zinc/54/89/39/947548939.db2.gz ABJMNFUOGDXQGB-CQSZACIVSA-N 1 1 292.335 1.947 20 5 CDBDMO C[C@@H]1C[C@@H](O)CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604905 947554410 /nfs/dbraw/zinc/55/44/10/947554410.db2.gz YMCLGUGTWOXUTJ-KMUNFCNLSA-N 1 1 276.336 1.907 20 5 CDBDMO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CNC1 ZINC001246123923 947973157 /nfs/dbraw/zinc/97/31/57/947973157.db2.gz VNBCKKPANRIQSY-ZDUSSCGKSA-N 1 1 275.352 1.794 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC([NH2+]C3COC3)C2)c(Cl)c1 ZINC001307219137 954914818 /nfs/dbraw/zinc/91/48/18/954914818.db2.gz UXOZGOFKXQAXFZ-UHFFFAOYSA-N 1 1 283.715 1.425 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001333671612 958499275 /nfs/dbraw/zinc/49/92/75/958499275.db2.gz MBHQLJRRMHDOGS-GFCCVEGCSA-N 1 1 278.356 1.864 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@]3(O)CCOC3)c2c1 ZINC000601136260 342476424 /nfs/dbraw/zinc/47/64/24/342476424.db2.gz ZBXQVNYEVGZNRL-AWEZNQCLSA-N 1 1 289.291 1.128 20 5 CDBDMO CC[C@@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601098973 342463913 /nfs/dbraw/zinc/46/39/13/342463913.db2.gz MLKNPZQSCHNNHJ-VIFPVBQESA-N 1 1 261.281 1.748 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517342 346808514 /nfs/dbraw/zinc/80/85/14/346808514.db2.gz RLJGIYSKUVIOGZ-UHFFFAOYSA-N 1 1 261.281 1.456 20 5 CDBDMO NC(=O)c1ccc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517342 346808517 /nfs/dbraw/zinc/80/85/17/346808517.db2.gz RLJGIYSKUVIOGZ-UHFFFAOYSA-N 1 1 261.281 1.456 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590661449 342581364 /nfs/dbraw/zinc/58/13/64/342581364.db2.gz PPFGPWNAAWQVLK-NOZJJQNGSA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590661449 342581365 /nfs/dbraw/zinc/58/13/65/342581365.db2.gz PPFGPWNAAWQVLK-NOZJJQNGSA-N 1 1 294.307 1.416 20 5 CDBDMO O=[N+]([O-])c1ccsc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590722042 342583845 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O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417092 342902752 /nfs/dbraw/zinc/90/27/52/342902752.db2.gz ABXQNWLKJHISCP-DGCLKSJQSA-N 1 1 292.339 1.670 20 5 CDBDMO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000595296619 343027432 /nfs/dbraw/zinc/02/74/32/343027432.db2.gz LOWJRFAGYAYIIK-SNVBAGLBSA-N 1 1 269.301 1.750 20 5 CDBDMO Cc1noc(C[NH2+][C@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595455414 343067462 /nfs/dbraw/zinc/06/74/62/343067462.db2.gz UAKWNYQZFWMDAB-GZMMTYOYSA-N 1 1 255.274 1.548 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000595457833 343068466 /nfs/dbraw/zinc/06/84/66/343068466.db2.gz FENKSLYISNHTRW-IONNQARKSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000595457833 343068469 /nfs/dbraw/zinc/06/84/69/343068469.db2.gz FENKSLYISNHTRW-IONNQARKSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000595545507 343083692 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CDBDMO Cc1nn(C)c(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000271756186 191308365 /nfs/dbraw/zinc/30/83/65/191308365.db2.gz CWLTUTWKGLNYFA-UHFFFAOYSA-N 1 1 265.317 1.311 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000286481691 356729921 /nfs/dbraw/zinc/72/99/21/356729921.db2.gz WRYQPHKHWGQGTB-SNVBAGLBSA-N 1 1 264.329 1.829 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286522759 356816690 /nfs/dbraw/zinc/81/66/90/356816690.db2.gz NHQMLXIJPHXBOW-CHWSQXEVSA-N 1 1 280.324 1.949 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000290705434 357337123 /nfs/dbraw/zinc/33/71/23/357337123.db2.gz WGKXCUHHDPNYFI-SECBINFHSA-N 1 1 297.359 1.477 20 5 CDBDMO CC(C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190314534 358066053 /nfs/dbraw/zinc/06/60/53/358066053.db2.gz RDBZXWUJPJNYDM-UHFFFAOYSA-N 1 1 256.331 1.582 20 5 CDBDMO COc1cc(C(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000337609991 358092321 /nfs/dbraw/zinc/09/23/21/358092321.db2.gz 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IKYMJHVXOPZOEG-RNCFNFMXSA-N 1 1 266.297 1.503 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675061 359426461 /nfs/dbraw/zinc/42/64/61/359426461.db2.gz BXGGLUQAVOHTMN-NSHDSACASA-N 1 1 264.329 1.950 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339678338 359427436 /nfs/dbraw/zinc/42/74/36/359427436.db2.gz LFTYPJXDXWVDKZ-GXTWGEPZSA-N 1 1 294.355 1.274 20 5 CDBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000296983715 200053151 /nfs/dbraw/zinc/05/31/51/200053151.db2.gz XXEVSOMPLCALHT-NSHDSACASA-N 1 1 292.339 1.976 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000297163293 200102176 /nfs/dbraw/zinc/10/21/76/200102176.db2.gz PAYYUJUEVLPXIS-LBPRGKRZSA-N 1 1 293.371 1.861 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753000 359916573 /nfs/dbraw/zinc/91/65/73/359916573.db2.gz DHSARZXIEJGSJE-DGCLKSJQSA-N 1 1 264.325 1.840 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 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293.367 2.000 20 5 CDBDMO CC[C@@H]1CN(C)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716116 361605865 /nfs/dbraw/zinc/60/58/65/361605865.db2.gz XWVKNONUCAWSEK-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO Cc1c(C[N@H+](C)CC(C)(CO)CO)cccc1[N+](=O)[O-] ZINC000305130568 239373827 /nfs/dbraw/zinc/37/38/27/239373827.db2.gz QVSHLASTZFHNBV-UHFFFAOYSA-N 1 1 282.340 1.326 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000581283721 363976656 /nfs/dbraw/zinc/97/66/56/363976656.db2.gz YGWXEUDLDUMOAF-LLVKDONJSA-N 1 1 296.371 1.784 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270827372 366934896 /nfs/dbraw/zinc/93/48/96/366934896.db2.gz CCEPHEFGYCCQRQ-TZMCWYRMSA-N 1 1 264.325 1.840 20 5 CDBDMO Cc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361150 367132321 /nfs/dbraw/zinc/13/23/21/367132321.db2.gz CBPFJQADDWBGFM-RYUDHWBXSA-N 1 1 291.355 1.614 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1COC[C@@H]1O ZINC000348634359 367589693 /nfs/dbraw/zinc/58/96/93/367589693.db2.gz LPAYXGCXRQQWDN-STQMWFEESA-N 1 1 266.297 1.095 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623020 367784238 /nfs/dbraw/zinc/78/42/38/367784238.db2.gz VABKVNGNVWJDCY-VHSXEESVSA-N 1 1 268.288 1.937 20 5 CDBDMO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209552 367930773 /nfs/dbraw/zinc/93/07/73/367930773.db2.gz VMDOYQMBGONMIC-JTQLQIEISA-N 1 1 293.323 1.324 20 5 CDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269209552 367930780 /nfs/dbraw/zinc/93/07/80/367930780.db2.gz VMDOYQMBGONMIC-JTQLQIEISA-N 1 1 293.323 1.324 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562728 369079612 /nfs/dbraw/zinc/07/96/12/369079612.db2.gz JUNKRSDEYDRLSD-SSDOTTSWSA-N 1 1 257.315 1.271 20 5 CDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000295197929 369620442 /nfs/dbraw/zinc/62/04/42/369620442.db2.gz JVZSRPIGIVUVAO-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO Cc1cnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000295620670 370525265 /nfs/dbraw/zinc/52/52/65/370525265.db2.gz GYGKQCRUFWBGPR-UHFFFAOYSA-N 1 1 267.314 1.346 20 5 CDBDMO COc1ccc(CNC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414888330 371018661 /nfs/dbraw/zinc/01/86/61/371018661.db2.gz ZXEBJQPELHGGLL-VIFPVBQESA-N 1 1 253.302 1.288 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)C2)c2c(c1)COCO2 ZINC000113503552 374262036 /nfs/dbraw/zinc/26/20/36/374262036.db2.gz ZDZMJYIBNOJFQI-LBPRGKRZSA-N 1 1 280.280 1.028 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](O)C2)c2c(c1)COCO2 ZINC000113503552 374262043 /nfs/dbraw/zinc/26/20/43/374262043.db2.gz ZDZMJYIBNOJFQI-LBPRGKRZSA-N 1 1 280.280 1.028 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](OCC3CC3)C2)n1 ZINC000368791505 374327352 /nfs/dbraw/zinc/32/73/52/374327352.db2.gz LAMHOXGDWZEKGU-CYBMUJFWSA-N 1 1 294.355 1.682 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccno3)CC2)n1 ZINC000369683568 374362378 /nfs/dbraw/zinc/36/23/78/374362378.db2.gz MVNBAKKJGHBGPQ-UHFFFAOYSA-N 1 1 277.284 1.616 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000275301732 374696310 /nfs/dbraw/zinc/69/63/10/374696310.db2.gz YULXOQRZLHJKNE-UHFFFAOYSA-N 1 1 277.324 1.346 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278168375 374833619 /nfs/dbraw/zinc/83/36/19/374833619.db2.gz FJPPZXKQNBPKDF-SNVBAGLBSA-N 1 1 295.295 1.971 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000277411112 374786411 /nfs/dbraw/zinc/78/64/11/374786411.db2.gz HWEBJPFNBYCFPF-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499855 374964505 /nfs/dbraw/zinc/96/45/05/374964505.db2.gz NVNYLNAQRGKRJJ-NXEZZACHSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000331499855 374964508 /nfs/dbraw/zinc/96/45/08/374964508.db2.gz NVNYLNAQRGKRJJ-NXEZZACHSA-N 1 1 290.323 1.674 20 5 CDBDMO Cc1cccc(N[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000302510917 375210938 /nfs/dbraw/zinc/21/09/38/375210938.db2.gz SMBNLKLUXLGYAI-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO Cc1cccc(N[C@@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000302510917 375210945 /nfs/dbraw/zinc/21/09/45/375210945.db2.gz SMBNLKLUXLGYAI-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056492609 375325679 /nfs/dbraw/zinc/32/56/79/375325679.db2.gz IKNBOBCYAKSNFG-CYBMUJFWSA-N 1 1 293.323 1.313 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351780345 375329110 /nfs/dbraw/zinc/32/91/10/375329110.db2.gz MDPOQSQIYVHWAE-PRHODGIISA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351780345 375329118 /nfs/dbraw/zinc/32/91/18/375329118.db2.gz MDPOQSQIYVHWAE-PRHODGIISA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000351819712 375333876 /nfs/dbraw/zinc/33/38/76/375333876.db2.gz LLPRPBRENDENFF-UFBFGSQYSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000351819712 375333882 /nfs/dbraw/zinc/33/38/82/375333882.db2.gz LLPRPBRENDENFF-UFBFGSQYSA-N 1 1 254.261 1.547 20 5 CDBDMO CC[N@@H+](CCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000227549733 375559008 /nfs/dbraw/zinc/55/90/08/375559008.db2.gz GOAIXSJTJAITGX-UHFFFAOYSA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353492844 375618960 /nfs/dbraw/zinc/61/89/60/375618960.db2.gz VSEBPUWYYNICSH-UHFFFAOYSA-N 1 1 266.297 1.429 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(O)C1 ZINC000353499387 375619191 /nfs/dbraw/zinc/61/91/91/375619191.db2.gz AJOVNDYVPCOALW-WHXUTIOJSA-N 1 1 293.323 1.377 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC(O)C1 ZINC000353499387 375619197 /nfs/dbraw/zinc/61/91/97/375619197.db2.gz AJOVNDYVPCOALW-WHXUTIOJSA-N 1 1 293.323 1.377 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358299722 375960511 /nfs/dbraw/zinc/96/05/11/375960511.db2.gz FOTQPTOFMSPQPN-CYBMUJFWSA-N 1 1 265.313 1.382 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCNC1=O ZINC000347361511 376010567 /nfs/dbraw/zinc/01/05/67/376010567.db2.gz PBABBDCPQSWQPJ-MSKHEQNASA-N 1 1 289.335 1.818 20 5 CDBDMO COCC[N@@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000264593350 190121129 /nfs/dbraw/zinc/12/11/29/190121129.db2.gz MBPSLPLUBIKIOM-NSHDSACASA-N 1 1 285.369 1.467 20 5 CDBDMO COCC[N@H+]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000264593350 190121130 /nfs/dbraw/zinc/12/11/30/190121130.db2.gz MBPSLPLUBIKIOM-NSHDSACASA-N 1 1 285.369 1.467 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433295789 248019590 /nfs/dbraw/zinc/01/95/90/248019590.db2.gz FSXKEBNQASXCBQ-GFCCVEGCSA-N 1 1 280.328 1.171 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264886973 190141977 /nfs/dbraw/zinc/14/19/77/190141977.db2.gz JASVCHRBLHJIOW-UHFFFAOYSA-N 1 1 294.355 1.465 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2Cc3ccccc3C2)c1 ZINC000173704237 378914845 /nfs/dbraw/zinc/91/48/45/378914845.db2.gz ZIEHAWGKQUZWDP-CQSZACIVSA-N 1 1 288.307 1.168 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444364593 250129559 /nfs/dbraw/zinc/12/95/59/250129559.db2.gz MDJZLWAIWGORDT-SCZZXKLOSA-N 1 1 295.343 1.093 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000489897671 285135539 /nfs/dbraw/zinc/13/55/39/285135539.db2.gz MSZBKRGFUUHMNA-SECBINFHSA-N 1 1 259.269 1.613 20 5 CDBDMO CC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000286507812 390383700 /nfs/dbraw/zinc/38/37/00/390383700.db2.gz YSJYGKCWXLUIBA-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000338721973 390667268 /nfs/dbraw/zinc/66/72/68/390667268.db2.gz BROMGEMZXRQXOJ-KBPBESRZSA-N 1 1 293.323 1.123 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505860 390838494 /nfs/dbraw/zinc/83/84/94/390838494.db2.gz PFZKSYNYYKBNGN-GXFFZTMASA-N 1 1 289.335 1.682 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC000266912591 391054950 /nfs/dbraw/zinc/05/49/50/391054950.db2.gz JKJCRVVBIRGSQK-GHMZBOCLSA-N 1 1 250.298 1.970 20 5 CDBDMO CN(C)C(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517478533 391146484 /nfs/dbraw/zinc/14/64/84/391146484.db2.gz BYVQERBMJHETBZ-UHFFFAOYSA-N 1 1 279.340 1.895 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000430218013 391228903 /nfs/dbraw/zinc/22/89/03/391228903.db2.gz IHYNWKXPWOYNMX-CABZTGNLSA-N 1 1 266.297 1.559 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000345545138 391230239 /nfs/dbraw/zinc/23/02/39/391230239.db2.gz SKGKNRGXJFHCBZ-JTQLQIEISA-N 1 1 297.359 1.179 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304283994 130063342 /nfs/dbraw/zinc/06/33/42/130063342.db2.gz FFUOBTHFXTWIBW-LOWVWBTDSA-N 1 1 282.344 1.130 20 5 CDBDMO [NH3+]C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238047991 391861506 /nfs/dbraw/zinc/86/15/06/391861506.db2.gz IRCVPUSQADILNK-SECBINFHSA-N 1 1 289.295 1.034 20 5 CDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495228179 391907735 /nfs/dbraw/zinc/90/77/35/391907735.db2.gz JUKKHMOTGYWSTE-CQSZACIVSA-N 1 1 293.323 1.380 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495228179 391907742 /nfs/dbraw/zinc/90/77/42/391907742.db2.gz JUKKHMOTGYWSTE-CQSZACIVSA-N 1 1 293.323 1.380 20 5 CDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418926 392897935 /nfs/dbraw/zinc/89/79/35/392897935.db2.gz HAVGIXQGNBJJDN-NWDGAFQWSA-N 1 1 291.355 1.756 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000420982333 392924140 /nfs/dbraw/zinc/92/41/40/392924140.db2.gz HILDPYIGCRSIMH-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000420982333 392924143 /nfs/dbraw/zinc/92/41/43/392924143.db2.gz HILDPYIGCRSIMH-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420644670 392920715 /nfs/dbraw/zinc/92/07/15/392920715.db2.gz XIRDAJLFUXPZPQ-JTQLQIEISA-N 1 1 294.355 1.834 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000527183756 392975170 /nfs/dbraw/zinc/97/51/70/392975170.db2.gz UZZRBHRWKDJCHJ-LBPRGKRZSA-N 1 1 277.324 1.205 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)C1 ZINC000430195210 393090552 /nfs/dbraw/zinc/09/05/52/393090552.db2.gz NHTVPBCKTBDCDA-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC)C1 ZINC000430195210 393090555 /nfs/dbraw/zinc/09/05/55/393090555.db2.gz NHTVPBCKTBDCDA-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000430203316 393093806 /nfs/dbraw/zinc/09/38/06/393093806.db2.gz DZZCTWJWMHODMO-CYBMUJFWSA-N 1 1 281.312 1.347 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000278836649 393143194 /nfs/dbraw/zinc/14/31/94/393143194.db2.gz VRUFDTIEYRNXCW-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000275770721 135112062 /nfs/dbraw/zinc/11/20/62/135112062.db2.gz GXSLQPIUHMVSQG-SNVBAGLBSA-N 1 1 299.758 1.751 20 5 CDBDMO COc1cc(C[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000093481457 147055597 /nfs/dbraw/zinc/05/55/97/147055597.db2.gz CQHNMTBROREVLA-JTQLQIEISA-N 1 1 298.339 1.815 20 5 CDBDMO COc1cc(C[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000093481457 147055601 /nfs/dbraw/zinc/05/56/01/147055601.db2.gz CQHNMTBROREVLA-JTQLQIEISA-N 1 1 298.339 1.815 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(F)c1 ZINC000313583799 149244668 /nfs/dbraw/zinc/24/46/68/149244668.db2.gz YCSKJDJJTWLGJF-DUFXMDAXSA-N 1 1 280.299 1.937 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249028 152084633 /nfs/dbraw/zinc/08/46/33/152084633.db2.gz BWWYAJCXDCBNJH-ZJUUUORDSA-N 1 1 278.312 1.280 20 5 CDBDMO COC1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350081814 154322305 /nfs/dbraw/zinc/32/23/05/154322305.db2.gz PTIRQMNTKGCFOM-UHFFFAOYSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352187722 155006855 /nfs/dbraw/zinc/00/68/55/155006855.db2.gz UFHHMWJKEWKDJL-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352187722 155006858 /nfs/dbraw/zinc/00/68/58/155006858.db2.gz UFHHMWJKEWKDJL-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000352213260 155027185 /nfs/dbraw/zinc/02/71/85/155027185.db2.gz UCTLAUVVMFZUNQ-NEPJUHHUSA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cccc1[N+](=O)[O-] ZINC000374073092 160251563 /nfs/dbraw/zinc/25/15/63/160251563.db2.gz WPFQHLCYJJQJGA-TZMCWYRMSA-N 1 1 289.335 1.614 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cccc1[N+](=O)[O-] ZINC000374073092 160251565 /nfs/dbraw/zinc/25/15/65/160251565.db2.gz WPFQHLCYJJQJGA-TZMCWYRMSA-N 1 1 289.335 1.614 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119448 287031236 /nfs/dbraw/zinc/03/12/36/287031236.db2.gz JBWQGRZLTJGYPC-ZWNOBZJWSA-N 1 1 267.329 1.168 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285735418 196382562 /nfs/dbraw/zinc/38/25/62/196382562.db2.gz XTZAQMRORAOAPI-OASPWFOLSA-N 1 1 266.297 1.347 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285735418 196382563 /nfs/dbraw/zinc/38/25/63/196382563.db2.gz XTZAQMRORAOAPI-OASPWFOLSA-N 1 1 266.297 1.347 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286138 175159347 /nfs/dbraw/zinc/15/93/47/175159347.db2.gz SQKHEKARRYLMNO-SNVBAGLBSA-N 1 1 283.353 1.870 20 5 CDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000078639357 177363416 /nfs/dbraw/zinc/36/34/16/177363416.db2.gz RTZVUTJSYZNKKD-VIFPVBQESA-N 1 1 272.326 1.118 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C(C)C ZINC000078686429 177371583 /nfs/dbraw/zinc/37/15/83/177371583.db2.gz RXZYWVWVYYHNLW-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)C1CCCCC1 ZINC000049855408 424450188 /nfs/dbraw/zinc/45/01/88/424450188.db2.gz GYNKVMVUFCKDBL-UHFFFAOYSA-N 1 1 296.371 1.727 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505862 274338477 /nfs/dbraw/zinc/33/84/77/274338477.db2.gz PFZKSYNYYKBNGN-ZWNOBZJWSA-N 1 1 289.335 1.682 20 5 CDBDMO CCNCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235842 276266829 /nfs/dbraw/zinc/26/68/29/276266829.db2.gz BLIFJWMSVHRWFY-NWDGAFQWSA-N 1 1 281.360 1.474 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000174691266 277215063 /nfs/dbraw/zinc/21/50/63/277215063.db2.gz NQNGXLJRIGSSFG-GXTWGEPZSA-N 1 1 289.335 1.904 20 5 CDBDMO CN[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393353 277294038 /nfs/dbraw/zinc/29/40/38/277294038.db2.gz PCBWSEICUVDGHB-QWRGUYRKSA-N 1 1 251.330 1.723 20 5 CDBDMO COc1cccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450778648 278017048 /nfs/dbraw/zinc/01/70/48/278017048.db2.gz LZEGWCLVUGZJDE-CMPLNLGQSA-N 1 1 277.324 1.744 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000162615660 278863192 /nfs/dbraw/zinc/86/31/92/278863192.db2.gz IQWVTNMKGJYRLS-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000134258978 279345276 /nfs/dbraw/zinc/34/52/76/279345276.db2.gz KWTPZUDLZQQZSH-SECBINFHSA-N 1 1 295.314 1.946 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248889879 280391293 /nfs/dbraw/zinc/39/12/93/280391293.db2.gz FPVMGGDKKQDSJX-MNOVXSKESA-N 1 1 298.339 1.167 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536788 281020420 /nfs/dbraw/zinc/02/04/20/281020420.db2.gz HUISSQNJXJAUKL-WXHSDQCUSA-N 1 1 280.324 1.392 20 5 CDBDMO C[N@@H+](CC[C@@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603694 482490963 /nfs/dbraw/zinc/49/09/63/482490963.db2.gz LZURKTDEQVWYCA-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111267701 524116754 /nfs/dbraw/zinc/11/67/54/524116754.db2.gz YTAUQYSISHURNM-JTQLQIEISA-N 1 1 295.314 1.692 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000111267701 524116749 /nfs/dbraw/zinc/11/67/49/524116749.db2.gz YTAUQYSISHURNM-JTQLQIEISA-N 1 1 295.314 1.692 20 5 CDBDMO C[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594979 524541530 /nfs/dbraw/zinc/54/15/30/524541530.db2.gz AINKNSQERYPVEA-MRVPVSSYSA-N 1 1 264.285 1.284 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594979 524541541 /nfs/dbraw/zinc/54/15/41/524541541.db2.gz AINKNSQERYPVEA-MRVPVSSYSA-N 1 1 264.285 1.284 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061708789 525458654 /nfs/dbraw/zinc/45/86/54/525458654.db2.gz ZQQGRTIZTWGHNH-LLVKDONJSA-N 1 1 252.270 1.170 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C1 ZINC000061708789 525458658 /nfs/dbraw/zinc/45/86/58/525458658.db2.gz ZQQGRTIZTWGHNH-LLVKDONJSA-N 1 1 252.270 1.170 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000744462500 576681729 /nfs/dbraw/zinc/68/17/29/576681729.db2.gz MLVPTJGCQFYDFM-UHFFFAOYSA-N 1 1 292.295 1.938 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000772300878 575682863 /nfs/dbraw/zinc/68/28/63/575682863.db2.gz JDWDJTCZLDILHC-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000772300878 575682866 /nfs/dbraw/zinc/68/28/66/575682866.db2.gz JDWDJTCZLDILHC-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000738088690 576037745 /nfs/dbraw/zinc/03/77/45/576037745.db2.gz FWCHXEVYYUEQMD-UHFFFAOYSA-N 1 1 295.387 1.801 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798968 576963400 /nfs/dbraw/zinc/96/34/00/576963400.db2.gz UWLRMYLMPDPAPL-MNOVXSKESA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000749798968 576963401 /nfs/dbraw/zinc/96/34/01/576963401.db2.gz UWLRMYLMPDPAPL-MNOVXSKESA-N 1 1 266.301 1.107 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037737 576972952 /nfs/dbraw/zinc/97/29/52/576972952.db2.gz QQDIUFNXJIWXEE-CYBMUJFWSA-N 1 1 295.339 1.038 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037737 576972954 /nfs/dbraw/zinc/97/29/54/576972954.db2.gz QQDIUFNXJIWXEE-CYBMUJFWSA-N 1 1 295.339 1.038 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461282 617422446 /nfs/dbraw/zinc/42/24/46/617422446.db2.gz VBKPWGSWQKHMHM-SNVBAGLBSA-N 1 1 280.328 1.895 20 5 CDBDMO O=[N+]([O-])CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000930762324 617533585 /nfs/dbraw/zinc/53/35/85/617533585.db2.gz XFSOKAMBRJWVPY-LSDHHAIUSA-N 1 1 275.352 1.469 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838370 617634292 /nfs/dbraw/zinc/63/42/92/617634292.db2.gz QZPBXQOJSDCMMG-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO O=[N+]([O-])c1c2nonc2ccc1NCC[N@@H+]1CC=CCC1 ZINC000893611438 617667409 /nfs/dbraw/zinc/66/74/09/617667409.db2.gz INZGHJZLNQBLAG-UHFFFAOYSA-N 1 1 289.295 1.805 20 5 CDBDMO C[C@@H]1CN(c2ccc3nonc3c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000893990426 618234001 /nfs/dbraw/zinc/23/40/01/618234001.db2.gz KOIVCADAYZJSOO-DTORHVGOSA-N 1 1 291.311 1.660 20 5 CDBDMO COC(=O)N1CC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000894543432 618953383 /nfs/dbraw/zinc/95/33/83/618953383.db2.gz YRELZJBERRZVFD-UHFFFAOYSA-N 1 1 297.286 1.664 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245405 619486288 /nfs/dbraw/zinc/48/62/88/619486288.db2.gz ASXSLXJZOAKESP-HZMBPMFUSA-N 1 1 296.346 1.780 20 5 CDBDMO Cc1ccnc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895245590 619486844 /nfs/dbraw/zinc/48/68/44/619486844.db2.gz GOCYUCJXUPAEIB-NEPJUHHUSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1ccnc(N[C@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895245590 619486845 /nfs/dbraw/zinc/48/68/45/619486845.db2.gz GOCYUCJXUPAEIB-NEPJUHHUSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246948 619492848 /nfs/dbraw/zinc/49/28/48/619492848.db2.gz DFQZCRFTERHUQM-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895246948 619492849 /nfs/dbraw/zinc/49/28/49/619492849.db2.gz DFQZCRFTERHUQM-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895246948 619492851 /nfs/dbraw/zinc/49/28/51/619492851.db2.gz DFQZCRFTERHUQM-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1nn(C)c(NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897248821 620442112 /nfs/dbraw/zinc/44/21/12/620442112.db2.gz DAHUCBUFDWKRBD-UHFFFAOYSA-N 1 1 281.360 1.781 20 5 CDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925311037 620980995 /nfs/dbraw/zinc/98/09/95/620980995.db2.gz CENLGBHARAMWNH-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000899873953 622500141 /nfs/dbraw/zinc/50/01/41/622500141.db2.gz WNZWOMWIVJQQEM-UHFFFAOYSA-N 1 1 278.230 1.994 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](F)C1 ZINC000902991887 625738057 /nfs/dbraw/zinc/73/80/57/625738057.db2.gz DKKMGNGUKBHSHS-JTQLQIEISA-N 1 1 256.281 1.534 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](F)C1 ZINC000902991887 625738068 /nfs/dbraw/zinc/73/80/68/625738068.db2.gz DKKMGNGUKBHSHS-JTQLQIEISA-N 1 1 256.281 1.534 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1cccc(Cl)c1 ZINC000905154054 626638874 /nfs/dbraw/zinc/63/88/74/626638874.db2.gz NGFNTAUBJMHKFM-NSHDSACASA-N 1 1 283.715 1.312 20 5 CDBDMO Cc1ccc(C2=NO[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1C ZINC000905255199 626707798 /nfs/dbraw/zinc/70/77/98/626707798.db2.gz QWZOETKRTFRUGX-CYBMUJFWSA-N 1 1 277.324 1.663 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000905695254 626941975 /nfs/dbraw/zinc/94/19/75/626941975.db2.gz MEPSEIVLJCSWTP-NSHDSACASA-N 1 1 296.327 1.060 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000905695254 626941977 /nfs/dbraw/zinc/94/19/77/626941977.db2.gz MEPSEIVLJCSWTP-NSHDSACASA-N 1 1 296.327 1.060 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030304 632132553 /nfs/dbraw/zinc/13/25/53/632132553.db2.gz XLKCUNDNJPFDDZ-GFCCVEGCSA-N 1 1 277.324 1.601 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397733 695360395 /nfs/dbraw/zinc/36/03/95/695360395.db2.gz DDOGDADOQBFEHF-ZIAGYGMSSA-N 1 1 280.324 1.475 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218245 695383692 /nfs/dbraw/zinc/38/36/92/695383692.db2.gz QTIFUPONBJKXHP-ZDUSSCGKSA-N 1 1 278.356 1.762 20 5 CDBDMO CC(C)[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000882701770 695409078 /nfs/dbraw/zinc/40/90/78/695409078.db2.gz DBDFLHBSRPJNEK-LLVKDONJSA-N 1 1 282.319 1.905 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446033 695422378 /nfs/dbraw/zinc/42/23/78/695422378.db2.gz BKBPPJHDOQVROL-ZWNOBZJWSA-N 1 1 268.313 1.331 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000837189048 695433595 /nfs/dbraw/zinc/43/35/95/695433595.db2.gz HFBZQRBQSVLFGH-GFCCVEGCSA-N 1 1 285.388 1.763 20 5 CDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162692 695614532 /nfs/dbraw/zinc/61/45/32/695614532.db2.gz VYGJBHWBUWBWHZ-WZRBSPASSA-N 1 1 279.340 1.971 20 5 CDBDMO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945762 695703818 /nfs/dbraw/zinc/70/38/18/695703818.db2.gz LHPABTQZDFBQSS-QWRGUYRKSA-N 1 1 278.356 1.827 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC2(C1)OCCO2 ZINC000160659476 695722076 /nfs/dbraw/zinc/72/20/76/695722076.db2.gz FIYSZZJBHFSVSX-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(C1)OCCO2 ZINC000160659476 695722078 /nfs/dbraw/zinc/72/20/78/695722078.db2.gz FIYSZZJBHFSVSX-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886164537 695728723 /nfs/dbraw/zinc/72/87/23/695728723.db2.gz NBMRNXUXYFYHTA-MWLCHTKSSA-N 1 1 279.296 1.373 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000886164537 695728727 /nfs/dbraw/zinc/72/87/27/695728727.db2.gz NBMRNXUXYFYHTA-MWLCHTKSSA-N 1 1 279.296 1.373 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000817131584 695829408 /nfs/dbraw/zinc/82/94/08/695829408.db2.gz FXQMMHRBLJZRBW-LLVKDONJSA-N 1 1 289.339 1.773 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)CO ZINC000886222805 695917140 /nfs/dbraw/zinc/91/71/40/695917140.db2.gz BKOADDUQIVLWPR-UHFFFAOYSA-N 1 1 253.302 1.440 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)CO ZINC000886222805 695917143 /nfs/dbraw/zinc/91/71/43/695917143.db2.gz BKOADDUQIVLWPR-UHFFFAOYSA-N 1 1 253.302 1.440 20 5 CDBDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572765 695925649 /nfs/dbraw/zinc/92/56/49/695925649.db2.gz VNJZFUHEBHRHOZ-UJPOAAIJSA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@@H]1CC2(C[N@@H+]1Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000842637951 695936406 /nfs/dbraw/zinc/93/64/06/695936406.db2.gz UQWQDDZQSOCWPP-LLVKDONJSA-N 1 1 280.328 1.640 20 5 CDBDMO C[C@@H]1CC2(C[N@H+]1Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000842637951 695936408 /nfs/dbraw/zinc/93/64/08/695936408.db2.gz UQWQDDZQSOCWPP-LLVKDONJSA-N 1 1 280.328 1.640 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177512 695981949 /nfs/dbraw/zinc/98/19/49/695981949.db2.gz AMUJOUQYWMTUPP-DOMZBBRYSA-N 1 1 295.383 1.947 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000870853624 696001044 /nfs/dbraw/zinc/00/10/44/696001044.db2.gz XIWBLBGSFJRIIE-ZDUSSCGKSA-N 1 1 263.297 1.391 20 5 CDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278162 696030937 /nfs/dbraw/zinc/03/09/37/696030937.db2.gz TVDWPPAZNQMKDG-LALPHHSUSA-N 1 1 294.351 1.579 20 5 CDBDMO COc1cccc([C@@H](C)[NH+]2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000791054133 1162187643 /nfs/dbraw/zinc/18/76/43/1162187643.db2.gz XXCIFMDVMFHRJH-CYBMUJFWSA-N 1 1 293.367 1.651 20 5 CDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086710 723706790 /nfs/dbraw/zinc/70/67/90/723706790.db2.gz LXBMEDDHHRDMCI-GFCCVEGCSA-N 1 1 287.323 1.713 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832226340 723713347 /nfs/dbraw/zinc/71/33/47/723713347.db2.gz WTXDXIFQPAYZFY-PRHODGIISA-N 1 1 281.268 1.458 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832226340 723713348 /nfs/dbraw/zinc/71/33/48/723713348.db2.gz WTXDXIFQPAYZFY-PRHODGIISA-N 1 1 281.268 1.458 20 5 CDBDMO C[N@@H+](C[C@H](O)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591235 723774529 /nfs/dbraw/zinc/77/45/29/723774529.db2.gz HUVOHKUZNDQVIW-UONOGXRCSA-N 1 1 280.324 1.331 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822829210 723814362 /nfs/dbraw/zinc/81/43/62/723814362.db2.gz LQRVGUOYUDSVAM-LBPRGKRZSA-N 1 1 285.388 1.668 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000826777476 723861198 /nfs/dbraw/zinc/86/11/98/723861198.db2.gz BHKKZODERQWPNU-GHMZBOCLSA-N 1 1 283.372 1.563 20 5 CDBDMO CC[C@H](O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930056888 723988894 /nfs/dbraw/zinc/98/88/94/723988894.db2.gz KALDKYGCIKPCTQ-ZDUSSCGKSA-N 1 1 252.314 1.536 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928565778 723982117 /nfs/dbraw/zinc/98/21/17/723982117.db2.gz MJYREIFOLDLHJY-JTQLQIEISA-N 1 1 288.307 1.510 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928565778 723982126 /nfs/dbraw/zinc/98/21/26/723982126.db2.gz MJYREIFOLDLHJY-JTQLQIEISA-N 1 1 288.307 1.510 20 5 CDBDMO C[C@]12CC[N@@H+](CC[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000930366155 724362903 /nfs/dbraw/zinc/36/29/03/724362903.db2.gz FEYWVEPFEJRPGB-SFYZADRCSA-N 1 1 253.129 1.779 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H]4C[C@@]4(CO)C3)c2c1 ZINC000865712178 724373636 /nfs/dbraw/zinc/37/36/36/724373636.db2.gz UHLYFNAGCHYFLY-BMIGLBTASA-N 1 1 285.303 1.962 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCC1 ZINC000861386599 724455835 /nfs/dbraw/zinc/45/58/35/724455835.db2.gz HHCAZWTXEJNEOD-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780492 725567084 /nfs/dbraw/zinc/56/70/84/725567084.db2.gz ANYWFXFYTWTQJR-YNEHKIRRSA-N 1 1 283.372 1.278 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669514 724529266 /nfs/dbraw/zinc/52/92/66/724529266.db2.gz NQFMTGLFZOJVGI-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000251888914 724605261 /nfs/dbraw/zinc/60/52/61/724605261.db2.gz VKAUSLJKWFIWBJ-MWLCHTKSSA-N 1 1 296.298 1.975 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000036189877 724791443 /nfs/dbraw/zinc/79/14/43/724791443.db2.gz OYWJLSVIXLKGAQ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@@H+](CCOCC1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592688 724796761 /nfs/dbraw/zinc/79/67/61/724796761.db2.gz SHPJBWICXYSLTA-HNNXBMFYSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872320181 724801038 /nfs/dbraw/zinc/80/10/38/724801038.db2.gz LVOFSGVRYSUHHE-MBNYWOFBSA-N 1 1 278.308 1.206 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836950151 723705798 /nfs/dbraw/zinc/70/57/98/723705798.db2.gz VVGQXHLRXQJTFJ-GFCCVEGCSA-N 1 1 285.388 1.765 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)n1 ZINC000886830305 723749854 /nfs/dbraw/zinc/74/98/54/723749854.db2.gz OQMGBGOBAWQPBL-RYUDHWBXSA-N 1 1 280.328 1.292 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000826777478 724010990 /nfs/dbraw/zinc/01/09/90/724010990.db2.gz BHKKZODERQWPNU-MNOVXSKESA-N 1 1 283.372 1.563 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830086433 725211829 /nfs/dbraw/zinc/21/18/29/725211829.db2.gz ZMEVSFVFOPSDAH-ZYHUDNBSSA-N 1 1 270.260 1.237 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000930457309 725337625 /nfs/dbraw/zinc/33/76/25/725337625.db2.gz AVUQOSPRBOGAMU-RBSFLKMASA-N 1 1 276.336 1.768 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000856796744 725411815 /nfs/dbraw/zinc/41/18/15/725411815.db2.gz ZDIASTVDWADNEZ-UXIGCNINSA-N 1 1 294.351 1.579 20 5 CDBDMO CC[N@H+](CCC(=O)OC)Cc1cccnc1[N+](=O)[O-] ZINC000885973341 725429347 /nfs/dbraw/zinc/42/93/47/725429347.db2.gz RUCCXIUOUFOVBB-UHFFFAOYSA-N 1 1 267.285 1.375 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cc1cccnc1[N+](=O)[O-] ZINC000885973341 725429352 /nfs/dbraw/zinc/42/93/52/725429352.db2.gz RUCCXIUOUFOVBB-UHFFFAOYSA-N 1 1 267.285 1.375 20 5 CDBDMO CS[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840115832 725977522 /nfs/dbraw/zinc/97/75/22/725977522.db2.gz OCAGLGXMVURDCW-SNVBAGLBSA-N 1 1 270.358 1.803 20 5 CDBDMO CS[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840115832 725977524 /nfs/dbraw/zinc/97/75/24/725977524.db2.gz OCAGLGXMVURDCW-SNVBAGLBSA-N 1 1 270.358 1.803 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001173224406 912307990 /nfs/dbraw/zinc/30/79/90/912307990.db2.gz FLIPZLTVFRYQRU-LERXQTSPSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001173224406 912308011 /nfs/dbraw/zinc/30/80/11/912308011.db2.gz FLIPZLTVFRYQRU-LERXQTSPSA-N 1 1 282.315 1.931 20 5 CDBDMO Cc1c(C)c(N2CCc3[nH+]ccn3CC2)ncc1[N+](=O)[O-] ZINC001167182572 894824010 /nfs/dbraw/zinc/82/40/10/894824010.db2.gz NRRLHLRVFSLKBV-UHFFFAOYSA-N 1 1 287.323 1.866 20 5 CDBDMO [NH3+]CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000723678519 896127747 /nfs/dbraw/zinc/12/77/47/896127747.db2.gz UMDCHMIWKUXUTG-SNVBAGLBSA-N 1 1 267.304 1.905 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001229054762 907837733 /nfs/dbraw/zinc/83/77/33/907837733.db2.gz AQGAMLYBTSCFGZ-SNVBAGLBSA-N 1 1 280.280 1.464 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)n1 ZINC001168753681 922522589 /nfs/dbraw/zinc/52/25/89/922522589.db2.gz HVIGJFCFURXPGT-UHFFFAOYSA-N 1 1 288.242 1.322 20 5 CDBDMO [NH3+]Cc1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000842651195 937068623 /nfs/dbraw/zinc/06/86/23/937068623.db2.gz VDYRJBSGHMNOMX-JTQLQIEISA-N 1 1 289.251 1.302 20 5 CDBDMO CN1CCC([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007771 927611520 /nfs/dbraw/zinc/61/15/20/927611520.db2.gz QBZSUBUZSNKNAP-AAEUAGOBSA-N 1 1 255.362 1.458 20 5 CDBDMO CCC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989385 927627268 /nfs/dbraw/zinc/62/72/68/927627268.db2.gz WKYSQDOHLLPRJD-DCAQKATOSA-N 1 1 258.318 1.363 20 5 CDBDMO CCCO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027016 927632019 /nfs/dbraw/zinc/63/20/19/927632019.db2.gz OSLAGICKGBXCCV-RWMBFGLXSA-N 1 1 256.346 1.933 20 5 CDBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169035569 927644157 /nfs/dbraw/zinc/64/41/57/927644157.db2.gz CECHWVIVKOCXIH-KVSVUVNWSA-N 1 1 282.340 1.173 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C1 ZINC001169039501 927649273 /nfs/dbraw/zinc/64/92/73/927649273.db2.gz QIPXIXKIBMHRRY-NMUGVGKYSA-N 1 1 294.273 1.836 20 5 CDBDMO CN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039150 927651152 /nfs/dbraw/zinc/65/11/52/927651152.db2.gz NSZTYQGBNQEKHV-NEPJUHHUSA-N 1 1 255.362 1.458 20 5 CDBDMO CN1CC[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038620 927651579 /nfs/dbraw/zinc/65/15/79/927651579.db2.gz JJCYJMOHTPZEIR-ZDEQEGDKSA-N 1 1 253.346 1.068 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001169025468 927662719 /nfs/dbraw/zinc/66/27/19/927662719.db2.gz JGDRMUSJRLIXKV-MCIONIFRSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@@H]2c2cccnc2)C1 ZINC001169046695 927666372 /nfs/dbraw/zinc/66/63/72/927666372.db2.gz LYLFDHNUAGFNJL-BPLDGKMQSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@@H]2c2cccnc2)C1 ZINC001169046695 927666375 /nfs/dbraw/zinc/66/63/75/927666375.db2.gz LYLFDHNUAGFNJL-BPLDGKMQSA-N 1 1 291.351 1.900 20 5 CDBDMO C[N@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051309 927670084 /nfs/dbraw/zinc/67/00/84/927670084.db2.gz CYECTABGMAQDKJ-UONOGXRCSA-N 1 1 281.400 1.992 20 5 CDBDMO Cc1nc(N2CC[C@H]([N@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157022093 929109010 /nfs/dbraw/zinc/10/90/10/929109010.db2.gz UGNAVUZPLPVBOO-NSHDSACASA-N 1 1 279.344 1.612 20 5 CDBDMO CC1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788434876 929520377 /nfs/dbraw/zinc/52/03/77/929520377.db2.gz LFKDBJACOGDCGY-LBPRGKRZSA-N 1 1 250.298 1.970 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001170901312 930695095 /nfs/dbraw/zinc/69/50/95/930695095.db2.gz ZAYONURYWSXBQI-QMMMGPOBSA-N 1 1 282.329 1.035 20 5 CDBDMO Cc1c(N[C@H](N)CCC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001170899037 930696347 /nfs/dbraw/zinc/69/63/47/930696347.db2.gz HAWQUZVKAWGDKO-JTQLQIEISA-N 1 1 283.288 1.247 20 5 CDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC001155894916 937686174 /nfs/dbraw/zinc/68/61/74/937686174.db2.gz ZQCIQKVMNRRQCG-IUCAKERBSA-N 1 1 295.343 1.093 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])nc1Cl ZINC001159784904 938752537 /nfs/dbraw/zinc/75/25/37/938752537.db2.gz LYLNRPGLSNXMKW-QMMMGPOBSA-N 1 1 273.724 1.387 20 5 CDBDMO C[N@@H+](C1CN(c2ncc(F)cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203771 939523060 /nfs/dbraw/zinc/52/30/60/939523060.db2.gz FXOKWQYCHISFDS-SNVBAGLBSA-N 1 1 296.302 1.038 20 5 CDBDMO O=[N+]([O-])c1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001224114228 941721348 /nfs/dbraw/zinc/72/13/48/941721348.db2.gz MIVJUAAMGKZZDT-LLVKDONJSA-N 1 1 274.280 1.718 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001224704514 941784350 /nfs/dbraw/zinc/78/43/50/941784350.db2.gz AIONOOQRDHDSHV-QWRGUYRKSA-N 1 1 296.327 1.053 20 5 CDBDMO O=[N+]([O-])c1c[nH]c(O[C@H]2C[NH+]3CCC2CC3)c2ncnc1-2 ZINC001227690972 942205320 /nfs/dbraw/zinc/20/53/20/942205320.db2.gz LLUGHGOCGSDMIC-JTQLQIEISA-N 1 1 289.295 1.339 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001229957857 942558514 /nfs/dbraw/zinc/55/85/14/942558514.db2.gz MLPGDKFIWZIPGL-SNVBAGLBSA-N 1 1 294.307 1.773 20 5 CDBDMO C[C@@H](NCC[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256840 946551031 /nfs/dbraw/zinc/55/10/31/946551031.db2.gz WJHNWBKETUPCQH-NEPJUHHUSA-N 1 1 255.362 1.506 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001254551807 947520684 /nfs/dbraw/zinc/52/06/84/947520684.db2.gz GANABDGCEVRGNV-COPLHBTASA-N 1 1 264.325 1.838 20 5 CDBDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605074 947552198 /nfs/dbraw/zinc/55/21/98/947552198.db2.gz ZXLZNODGQSLIOR-OWCLPIDISA-N 1 1 287.363 1.840 20 5 CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605074 947552204 /nfs/dbraw/zinc/55/22/04/947552204.db2.gz ZXLZNODGQSLIOR-OWCLPIDISA-N 1 1 287.363 1.840 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605074 947552206 /nfs/dbraw/zinc/55/22/06/947552206.db2.gz ZXLZNODGQSLIOR-OWCLPIDISA-N 1 1 287.363 1.840 20 5 CDBDMO COCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247628123 948687771 /nfs/dbraw/zinc/68/77/71/948687771.db2.gz KLHPPZIDRGFXJI-ZETCQYMHSA-N 1 1 297.246 1.215 20 5 CDBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001333466211 953922478 /nfs/dbraw/zinc/92/24/78/953922478.db2.gz KHDLOZFMPXNZHU-UHFFFAOYSA-N 1 1 281.312 1.763 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@H+]1C ZINC001326197880 954260787 /nfs/dbraw/zinc/26/07/87/954260787.db2.gz FLJJOJFGQWOJGW-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546003 954927542 /nfs/dbraw/zinc/92/75/42/954927542.db2.gz IQWPLJQBTLEZOS-HNNXBMFYSA-N 1 1 293.367 1.612 20 5 CDBDMO Cc1c[nH+]cn1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001304498065 956195980 /nfs/dbraw/zinc/19/59/80/956195980.db2.gz LBHFURADZWZPIN-UHFFFAOYSA-N 1 1 289.295 1.629 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319133468 958391073 /nfs/dbraw/zinc/39/10/73/958391073.db2.gz OGBVLBAXHWMZDX-UHFFFAOYSA-N 1 1 277.324 1.779 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542618 960389098 /nfs/dbraw/zinc/38/90/98/960389098.db2.gz IODIDOKADGPWAN-LDYMZIIASA-N 1 1 277.328 1.467 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001337466445 961214795 /nfs/dbraw/zinc/21/47/95/961214795.db2.gz YERALDBRZFSZHY-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001339629617 962456848 /nfs/dbraw/zinc/45/68/48/962456848.db2.gz PFSQVYGDERNHHH-PWSUYJOCSA-N 1 1 291.355 1.493 20 5 CDBDMO CC[C@H](CO)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001351141079 966865624 /nfs/dbraw/zinc/86/56/24/966865624.db2.gz CRUIUTFUYHPDMB-GFCCVEGCSA-N 1 1 250.298 1.724 20 5 CDBDMO CCCC[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354109846 968484668 /nfs/dbraw/zinc/48/46/68/968484668.db2.gz UQZSULXRWBPXFE-UHFFFAOYSA-N 1 1 267.333 1.716 20 5 CDBDMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001522827727 970578355 /nfs/dbraw/zinc/57/83/55/970578355.db2.gz WBALJMJKGWHELT-LBPRGKRZSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC001522827727 970578358 /nfs/dbraw/zinc/57/83/58/970578358.db2.gz WBALJMJKGWHELT-LBPRGKRZSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600179034 341983525 /nfs/dbraw/zinc/98/35/25/341983525.db2.gz RNOSUZWJDWOXLR-AWEZNQCLSA-N 1 1 280.324 1.486 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCCC2)O1 ZINC000592191455 342674306 /nfs/dbraw/zinc/67/43/06/342674306.db2.gz CMVNABQWWLDTQW-GFCCVEGCSA-N 1 1 294.355 1.825 20 5 CDBDMO CN(CCC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000592473590 342698622 /nfs/dbraw/zinc/69/86/22/342698622.db2.gz DOPKTVALZRTLGB-UHFFFAOYSA-N 1 1 253.302 1.254 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CCO ZINC000593109459 342769264 /nfs/dbraw/zinc/76/92/64/342769264.db2.gz YMRANAXWODFYCK-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2CO)n1 ZINC000594017169 342866589 /nfs/dbraw/zinc/86/65/89/342866589.db2.gz SUADJVZITHTPGP-NSHDSACASA-N 1 1 268.317 1.028 20 5 CDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768099 342232796 /nfs/dbraw/zinc/23/27/96/342232796.db2.gz FIEHEJIPTJQLBB-ZDUSSCGKSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873684 342973097 /nfs/dbraw/zinc/97/30/97/342973097.db2.gz KWPBZMPONFILKS-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO COC(=O)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595295692 343026632 /nfs/dbraw/zinc/02/66/32/343026632.db2.gz PHCRLXJUEQCVPQ-UHFFFAOYSA-N 1 1 297.311 1.666 20 5 CDBDMO CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595387542 343052736 /nfs/dbraw/zinc/05/27/36/343052736.db2.gz CYNAHXISGOFCHL-VIFPVBQESA-N 1 1 268.317 1.417 20 5 CDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000075767172 342317262 /nfs/dbraw/zinc/31/72/62/342317262.db2.gz QIIZCBOZJKMTJO-WZRBSPASSA-N 1 1 282.344 1.273 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595467889 343071848 /nfs/dbraw/zinc/07/18/48/343071848.db2.gz QITDPIKJLGYWNZ-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595467889 343071850 /nfs/dbraw/zinc/07/18/50/343071850.db2.gz QITDPIKJLGYWNZ-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595466847 343071900 /nfs/dbraw/zinc/07/19/00/343071900.db2.gz NTEDRBGDQYBCPI-ZDUSSCGKSA-N 1 1 281.287 1.431 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595507146 343080032 /nfs/dbraw/zinc/08/00/32/343080032.db2.gz KNNVBQDWEBGOFH-JTQLQIEISA-N 1 1 294.355 1.807 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595557042 343096953 /nfs/dbraw/zinc/09/69/53/343096953.db2.gz DIMNZYNGHNNQRI-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595557042 343096954 /nfs/dbraw/zinc/09/69/54/343096954.db2.gz DIMNZYNGHNNQRI-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000595563356 343099247 /nfs/dbraw/zinc/09/92/47/343099247.db2.gz ZIWMXGBXCFZNAJ-SNVBAGLBSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CCCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000595563356 343099248 /nfs/dbraw/zinc/09/92/48/343099248.db2.gz ZIWMXGBXCFZNAJ-SNVBAGLBSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595671372 343128003 /nfs/dbraw/zinc/12/80/03/343128003.db2.gz FBFFFOORTGOOEY-ONGXEEELSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595765479 343145088 /nfs/dbraw/zinc/14/50/88/343145088.db2.gz HOOYRRUEKXSEBE-RKDXNWHRSA-N 1 1 255.274 1.236 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595765479 343145089 /nfs/dbraw/zinc/14/50/89/343145089.db2.gz HOOYRRUEKXSEBE-RKDXNWHRSA-N 1 1 255.274 1.236 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872683 343177203 /nfs/dbraw/zinc/17/72/03/343177203.db2.gz KQNSBQWBRWSKDG-DOMZBBRYSA-N 1 1 294.351 1.924 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)C1CC1 ZINC000618284448 342355829 /nfs/dbraw/zinc/35/58/29/342355829.db2.gz IQSRPIOEXDGODI-CYBMUJFWSA-N 1 1 290.323 1.674 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)C1CC1 ZINC000618284448 342355830 /nfs/dbraw/zinc/35/58/30/342355830.db2.gz IQSRPIOEXDGODI-CYBMUJFWSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597700620 343603471 /nfs/dbraw/zinc/60/34/71/343603471.db2.gz OSVRYWDUZDIEGK-RNCFNFMXSA-N 1 1 293.323 1.465 20 5 CDBDMO Cc1nc(N[C@H](C)C2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000295084744 199337139 /nfs/dbraw/zinc/33/71/39/199337139.db2.gz ROCUIYHRYSQBJA-SECBINFHSA-N 1 1 277.328 1.756 20 5 CDBDMO COCC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000127135227 187285485 /nfs/dbraw/zinc/28/54/85/187285485.db2.gz MDNUQXJGTJEPFO-UHFFFAOYSA-N 1 1 284.312 1.690 20 5 CDBDMO COCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000127135227 187285487 /nfs/dbraw/zinc/28/54/87/187285487.db2.gz MDNUQXJGTJEPFO-UHFFFAOYSA-N 1 1 284.312 1.690 20 5 CDBDMO CN(C)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602696369 344543496 /nfs/dbraw/zinc/54/34/96/344543496.db2.gz QLNKRCRACALXFJ-UHFFFAOYSA-N 1 1 290.323 1.920 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997557 344684190 /nfs/dbraw/zinc/68/41/90/344684190.db2.gz MONMQLOKTNVKBP-MCIONIFRSA-N 1 1 294.355 1.417 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773151 362505166 /nfs/dbraw/zinc/50/51/66/362505166.db2.gz LFUQMXKSPOOMSM-GFCCVEGCSA-N 1 1 282.369 1.973 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000293196380 362538802 /nfs/dbraw/zinc/53/88/02/362538802.db2.gz QMZWGFRYBKEWDW-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO CCC(CC)[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344050281 362540098 /nfs/dbraw/zinc/54/00/98/362540098.db2.gz ZYDMVTJNWZHNDR-CYBMUJFWSA-N 1 1 284.360 1.663 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cn[nH]c3)C2)nc1 ZINC000611272518 346732395 /nfs/dbraw/zinc/73/23/95/346732395.db2.gz WBBNMOJRXVSLCF-LLVKDONJSA-N 1 1 288.311 1.399 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611412388 346779807 /nfs/dbraw/zinc/77/98/07/346779807.db2.gz UEASKBNBEVLJJB-VIFPVBQESA-N 1 1 271.342 1.159 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)C3CC3)nc2c1 ZINC000083168633 347112828 /nfs/dbraw/zinc/11/28/28/347112828.db2.gz IRKFIPKYDKPXLO-UHFFFAOYSA-N 1 1 277.280 1.693 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)C3CC3)nc2c1 ZINC000083168633 347112830 /nfs/dbraw/zinc/11/28/30/347112830.db2.gz IRKFIPKYDKPXLO-UHFFFAOYSA-N 1 1 277.280 1.693 20 5 CDBDMO COc1ccc(C[N@@H+](CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000064516071 348942981 /nfs/dbraw/zinc/94/29/81/348942981.db2.gz NWSYHBRFZKVWEL-UHFFFAOYSA-N 1 1 280.324 1.808 20 5 CDBDMO COCC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105832368 186076761 /nfs/dbraw/zinc/07/67/61/186076761.db2.gz PFYRVPMGXOCGAY-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO COc1ccc(C[N@@H+](C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767476 350965519 /nfs/dbraw/zinc/96/55/19/350965519.db2.gz ODRJBRJIEAFHPP-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1nc(NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000161492639 363080874 /nfs/dbraw/zinc/08/08/74/363080874.db2.gz DXTBAIQDRAOQQP-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152878169 188049739 /nfs/dbraw/zinc/04/97/39/188049739.db2.gz DKFPBGLMZXLYGJ-PHIMTYICSA-N 1 1 250.302 1.523 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000157388139 188313558 /nfs/dbraw/zinc/31/35/58/188313558.db2.gz UAFROAMUXDKYRQ-UHFFFAOYSA-N 1 1 250.258 1.516 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000157388139 188313560 /nfs/dbraw/zinc/31/35/60/188313560.db2.gz UAFROAMUXDKYRQ-UHFFFAOYSA-N 1 1 250.258 1.516 20 5 CDBDMO CCCC[N@@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420599991 535226009 /nfs/dbraw/zinc/22/60/09/535226009.db2.gz LJYTXTJKUWNEJJ-UHFFFAOYSA-N 1 1 294.355 1.838 20 5 CDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944801 363384429 /nfs/dbraw/zinc/38/44/29/363384429.db2.gz RFWZDJJWMACZRZ-LBPRGKRZSA-N 1 1 277.324 1.505 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)C(C)(C)C ZINC000134396511 356236056 /nfs/dbraw/zinc/23/60/56/356236056.db2.gz FKMGECVTTZPLGU-SNVBAGLBSA-N 1 1 270.333 1.130 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC000341048900 366313704 /nfs/dbraw/zinc/31/37/04/366313704.db2.gz NGBLBBKTOUSJRM-UHFFFAOYSA-N 1 1 294.399 1.915 20 5 CDBDMO CN(CCCN(C)c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000341048900 366313708 /nfs/dbraw/zinc/31/37/08/366313708.db2.gz NGBLBBKTOUSJRM-UHFFFAOYSA-N 1 1 294.399 1.915 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000050116727 357231435 /nfs/dbraw/zinc/23/14/35/357231435.db2.gz AGHKVHSDZDFEQZ-GFCCVEGCSA-N 1 1 250.298 1.860 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294297547 198988177 /nfs/dbraw/zinc/98/81/77/198988177.db2.gz CIYCUYXFBQOALD-UHFFFAOYSA-N 1 1 282.344 1.533 20 5 CDBDMO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000188489181 357903603 /nfs/dbraw/zinc/90/36/03/357903603.db2.gz UHEDVYXLNFWXCG-MRVPVSSYSA-N 1 1 271.342 1.613 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408152344 358201454 /nfs/dbraw/zinc/20/14/54/358201454.db2.gz ZMJRGSZRVNVZPL-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408152344 358201455 /nfs/dbraw/zinc/20/14/55/358201455.db2.gz ZMJRGSZRVNVZPL-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000408275651 358860345 /nfs/dbraw/zinc/86/03/45/358860345.db2.gz CLSPEILALPIFGE-UHFFFAOYSA-N 1 1 296.302 1.903 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106882173 359010541 /nfs/dbraw/zinc/01/05/41/359010541.db2.gz SUQBJWGPHCFDQN-NSHDSACASA-N 1 1 266.297 1.694 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000569378735 359230019 /nfs/dbraw/zinc/23/00/19/359230019.db2.gz ADEZZPKTTKAGKR-LBPRGKRZSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000569378735 359230022 /nfs/dbraw/zinc/23/00/22/359230022.db2.gz ADEZZPKTTKAGKR-LBPRGKRZSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+]1CC(C)C1 ZINC000569939067 359269921 /nfs/dbraw/zinc/26/99/21/359269921.db2.gz HVUPRPDWYFZOBZ-LLVKDONJSA-N 1 1 289.335 1.824 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297003378 200059797 /nfs/dbraw/zinc/05/97/97/200059797.db2.gz GAJIAYDEVIPSSS-LLVKDONJSA-N 1 1 279.344 1.980 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000135615661 359781028 /nfs/dbraw/zinc/78/10/28/359781028.db2.gz RUPQBSJOVOPQHG-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO C[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000297943192 200307562 /nfs/dbraw/zinc/30/75/62/200307562.db2.gz SDQVRVZRMKTXML-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO CN1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000297943192 200307563 /nfs/dbraw/zinc/30/75/63/200307563.db2.gz SDQVRVZRMKTXML-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO CN1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000297943192 200307565 /nfs/dbraw/zinc/30/75/65/200307565.db2.gz SDQVRVZRMKTXML-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063445538 360087493 /nfs/dbraw/zinc/08/74/93/360087493.db2.gz HOOIZCBJMRYLGA-UHFFFAOYSA-N 1 1 296.302 1.094 20 5 CDBDMO CC(C)(CS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000358305039 360432998 /nfs/dbraw/zinc/43/29/98/360432998.db2.gz WJMSFGRXHYBTNA-UHFFFAOYSA-N 1 1 292.382 1.569 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000177519235 238309337 /nfs/dbraw/zinc/30/93/37/238309337.db2.gz HDZCQHIKSUOHMG-TXEJJXNPSA-N 1 1 264.329 1.913 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000180191085 189242756 /nfs/dbraw/zinc/24/27/56/189242756.db2.gz MMWAUOXXZYKRNB-AWEZNQCLSA-N 1 1 296.323 1.569 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000180191085 189242757 /nfs/dbraw/zinc/24/27/57/189242757.db2.gz MMWAUOXXZYKRNB-AWEZNQCLSA-N 1 1 296.323 1.569 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000519542841 361387496 /nfs/dbraw/zinc/38/74/96/361387496.db2.gz IQTMXQUEXWYBKC-ZYHUDNBSSA-N 1 1 252.270 1.098 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCCO)C2)nc1 ZINC000304311082 239356342 /nfs/dbraw/zinc/35/63/42/239356342.db2.gz MBHADFVBHAOJPE-LBPRGKRZSA-N 1 1 294.355 1.639 20 5 CDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCn4ccc([N+](=O)[O-])n4)[C@H]1[C@H]3C2 ZINC000367598841 364001344 /nfs/dbraw/zinc/00/13/44/364001344.db2.gz ACJHFWHYXNUQAU-NARNDRFESA-N 1 1 292.339 1.147 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000545398240 364073141 /nfs/dbraw/zinc/07/31/41/364073141.db2.gz DZYISXINXJWWIG-AWEZNQCLSA-N 1 1 264.325 1.984 20 5 CDBDMO Cc1nc(NC[C@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268500327 364792315 /nfs/dbraw/zinc/79/23/15/364792315.db2.gz QCDAVPOUUICWPL-NSHDSACASA-N 1 1 293.371 1.346 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253758 364837707 /nfs/dbraw/zinc/83/77/07/364837707.db2.gz RRKWPTOQYVYAJK-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270697115 366921772 /nfs/dbraw/zinc/92/17/72/366921772.db2.gz HHYFHUKTMSJWLU-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270697115 366921775 /nfs/dbraw/zinc/92/17/75/366921775.db2.gz HHYFHUKTMSJWLU-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000271939949 367038100 /nfs/dbraw/zinc/03/81/00/367038100.db2.gz WQMRJLKIJICJQQ-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639750 367598290 /nfs/dbraw/zinc/59/82/90/367598290.db2.gz DTFUKAHUTALXCQ-STQMWFEESA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639750 367598294 /nfs/dbraw/zinc/59/82/94/367598294.db2.gz DTFUKAHUTALXCQ-STQMWFEESA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CCO)CC1 ZINC000272283991 367673875 /nfs/dbraw/zinc/67/38/75/367673875.db2.gz FVHIORWGNRCSTM-ZDUSSCGKSA-N 1 1 293.367 1.574 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000330625941 203054679 /nfs/dbraw/zinc/05/46/79/203054679.db2.gz UKRXWVGTGIJBHS-CYBMUJFWSA-N 1 1 282.365 1.895 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000330625941 203054680 /nfs/dbraw/zinc/05/46/80/203054680.db2.gz UKRXWVGTGIJBHS-CYBMUJFWSA-N 1 1 282.365 1.895 20 5 CDBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330660679 203090975 /nfs/dbraw/zinc/09/09/75/203090975.db2.gz QYONVYIAOVNYRB-LOWVWBTDSA-N 1 1 282.344 1.415 20 5 CDBDMO Cc1nc(N2CC[C@]3(CC[N@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000295685795 370572121 /nfs/dbraw/zinc/57/21/21/370572121.db2.gz NBCQZUPFFFKWEO-ZDUSSCGKSA-N 1 1 277.328 1.225 20 5 CDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299040818 374323923 /nfs/dbraw/zinc/32/39/23/374323923.db2.gz QSPLUHSEPHPXBZ-SECBINFHSA-N 1 1 291.311 1.494 20 5 CDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299683812 374402516 /nfs/dbraw/zinc/40/25/16/374402516.db2.gz WNHHRQLAYTVYGV-JTQLQIEISA-N 1 1 293.323 1.884 20 5 CDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299683812 374402521 /nfs/dbraw/zinc/40/25/21/374402521.db2.gz WNHHRQLAYTVYGV-JTQLQIEISA-N 1 1 293.323 1.884 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000370082152 374378283 /nfs/dbraw/zinc/37/82/83/374378283.db2.gz LUNMRYHHVSDRSC-HNNXBMFYSA-N 1 1 276.336 1.984 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274531502 374676618 /nfs/dbraw/zinc/67/66/18/374676618.db2.gz UNCDZUAXYBHFLV-JTQLQIEISA-N 1 1 295.343 1.229 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000275179155 374691854 /nfs/dbraw/zinc/69/18/54/374691854.db2.gz CEUIHMCOMWPJHZ-UHFFFAOYSA-N 1 1 292.339 1.216 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000275276311 374694173 /nfs/dbraw/zinc/69/41/73/374694173.db2.gz UQHWYFNDTLVSIW-UHFFFAOYSA-N 1 1 291.351 1.736 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154700316 374734813 /nfs/dbraw/zinc/73/48/13/374734813.db2.gz GJFYZFPSARGPAY-UHFFFAOYSA-N 1 1 297.330 1.733 20 5 CDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331459612 374957892 /nfs/dbraw/zinc/95/78/92/374957892.db2.gz GNGURZMPHZANGQ-SECBINFHSA-N 1 1 290.323 1.144 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000283173284 375110241 /nfs/dbraw/zinc/11/02/41/375110241.db2.gz DRKDMCWASKRWRI-NSHDSACASA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000282524234 375093338 /nfs/dbraw/zinc/09/33/38/375093338.db2.gz PTICZNOYCOVWNS-VHSXEESVSA-N 1 1 286.303 1.298 20 5 CDBDMO CC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587155 375466301 /nfs/dbraw/zinc/46/63/01/375466301.db2.gz QHVDLGCMQHGYQN-SBDDDAINSA-N 1 1 289.335 1.818 20 5 CDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCCC1 ZINC000352886473 375548264 /nfs/dbraw/zinc/54/82/64/375548264.db2.gz HOQRCZZRHNIPLW-UHFFFAOYSA-N 1 1 295.387 1.599 20 5 CDBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCCC1 ZINC000352886473 375548270 /nfs/dbraw/zinc/54/82/70/375548270.db2.gz HOQRCZZRHNIPLW-UHFFFAOYSA-N 1 1 295.387 1.599 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171040897 376038576 /nfs/dbraw/zinc/03/85/76/376038576.db2.gz WPJDYEWZFAFXPG-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CO ZINC000249005453 376118171 /nfs/dbraw/zinc/11/81/71/376118171.db2.gz ZLAZZGPGYVOSHN-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1CO ZINC000249005453 376118173 /nfs/dbraw/zinc/11/81/73/376118173.db2.gz ZLAZZGPGYVOSHN-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO Nc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000263958171 190086387 /nfs/dbraw/zinc/08/63/87/190086387.db2.gz NJGANYYEIVMMOQ-BDAKNGLRSA-N 1 1 278.316 1.006 20 5 CDBDMO Cc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000264222002 190097215 /nfs/dbraw/zinc/09/72/15/190097215.db2.gz WHTBDMTXSXYTLV-UHFFFAOYSA-N 1 1 295.343 1.231 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264303488 190102755 /nfs/dbraw/zinc/10/27/55/190102755.db2.gz RUCKBVZUQZLIJB-MNOVXSKESA-N 1 1 280.328 1.511 20 5 CDBDMO COCCC[N@@H+](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000172771464 377740850 /nfs/dbraw/zinc/74/08/50/377740850.db2.gz VKWSWNROPTXDNM-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000266861821 378074791 /nfs/dbraw/zinc/07/47/91/378074791.db2.gz OZLABANSRWASMI-UHFFFAOYSA-N 1 1 268.292 1.458 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190838390 378647922 /nfs/dbraw/zinc/64/79/22/378647922.db2.gz ZQVQLFNEJNWSDS-QWRGUYRKSA-N 1 1 268.313 1.158 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000266909920 190290143 /nfs/dbraw/zinc/29/01/43/190290143.db2.gz CRWWWWDENLWSCS-NWDGAFQWSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000266909920 190290144 /nfs/dbraw/zinc/29/01/44/190290144.db2.gz CRWWWWDENLWSCS-NWDGAFQWSA-N 1 1 266.301 1.045 20 5 CDBDMO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000267010987 190296803 /nfs/dbraw/zinc/29/68/03/190296803.db2.gz MKJRVSNUUCPZBY-LLVKDONJSA-N 1 1 283.303 1.724 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267367108 190324598 /nfs/dbraw/zinc/32/45/98/190324598.db2.gz QXJFBTCYMHPALQ-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267367108 190324599 /nfs/dbraw/zinc/32/45/99/190324599.db2.gz QXJFBTCYMHPALQ-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267611924 190341549 /nfs/dbraw/zinc/34/15/49/190341549.db2.gz BKLSMRIPAMEJOC-OCCSQVGLSA-N 1 1 296.323 1.055 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450251540 251193046 /nfs/dbraw/zinc/19/30/46/251193046.db2.gz BKKISZUOISEUSM-MNOVXSKESA-N 1 1 277.328 1.732 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489923325 253017799 /nfs/dbraw/zinc/01/77/99/253017799.db2.gz NOIWGTOLUGBDIM-VIFPVBQESA-N 1 1 290.327 1.514 20 5 CDBDMO C[N@@H+](CCNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000288482334 197090577 /nfs/dbraw/zinc/09/05/77/197090577.db2.gz PJSUBWRLPIGDPF-UHFFFAOYSA-N 1 1 250.302 1.683 20 5 CDBDMO C[C@@H]1COCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100587 390536655 /nfs/dbraw/zinc/53/66/55/390536655.db2.gz PGJKUTQLCBCQEN-SMDDNHRTSA-N 1 1 280.324 1.597 20 5 CDBDMO Cn1c(C(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000408052017 391170746 /nfs/dbraw/zinc/17/07/46/391170746.db2.gz SNDXSTSJCJKCAM-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO Cn1c(C(=O)N2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000408052017 391170749 /nfs/dbraw/zinc/17/07/49/391170749.db2.gz SNDXSTSJCJKCAM-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573734 391240970 /nfs/dbraw/zinc/24/09/70/391240970.db2.gz SPMOPSVGTAJBID-SECBINFHSA-N 1 1 251.290 1.199 20 5 CDBDMO C[N@@H+](CCCCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000413350294 391204239 /nfs/dbraw/zinc/20/42/39/391204239.db2.gz WABOMNQCFYIWDN-UHFFFAOYSA-N 1 1 265.317 1.093 20 5 CDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573908101 391609779 /nfs/dbraw/zinc/60/97/79/391609779.db2.gz AZXDTEASEAGEPT-SNVBAGLBSA-N 1 1 295.343 1.264 20 5 CDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000573908608 391610287 /nfs/dbraw/zinc/61/02/87/391610287.db2.gz WUMWHYXGRPLNRF-YPMHNXCESA-N 1 1 292.339 1.289 20 5 CDBDMO Cc1cnc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248294 391695793 /nfs/dbraw/zinc/69/57/93/391695793.db2.gz ZLKNPHZDGHYKME-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248294 391695798 /nfs/dbraw/zinc/69/57/98/391695798.db2.gz ZLKNPHZDGHYKME-RYUDHWBXSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000419374698 392890985 /nfs/dbraw/zinc/89/09/85/392890985.db2.gz QKRBDWSIRWMPTA-XZUYRWCXSA-N 1 1 282.344 1.129 20 5 CDBDMO COCCCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000419378088 392892327 /nfs/dbraw/zinc/89/23/27/392892327.db2.gz COUCKGMAAKGFOH-UHFFFAOYSA-N 1 1 283.328 1.115 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@H](O)C1)CCO2 ZINC000420971827 392922526 /nfs/dbraw/zinc/92/25/26/392922526.db2.gz KYMXPYHKMOZFPJ-GSJFWJNXSA-N 1 1 278.308 1.560 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H](O)C1)CCO2 ZINC000420971827 392922529 /nfs/dbraw/zinc/92/25/29/392922529.db2.gz KYMXPYHKMOZFPJ-GSJFWJNXSA-N 1 1 278.308 1.560 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577719 393082886 /nfs/dbraw/zinc/08/28/86/393082886.db2.gz GICFPEYMBWNJFB-NQBHXWOUSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000488235447 393078881 /nfs/dbraw/zinc/07/88/81/393078881.db2.gz SZMUWKGVRJHMPU-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000488235447 393078888 /nfs/dbraw/zinc/07/88/88/393078888.db2.gz SZMUWKGVRJHMPU-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO CC[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282226026 393173190 /nfs/dbraw/zinc/17/31/90/393173190.db2.gz OPIQCZNOUJBGBD-UHFFFAOYSA-N 1 1 264.329 1.709 20 5 CDBDMO CC[C@H](O)C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000118752873 393111555 /nfs/dbraw/zinc/11/15/55/393111555.db2.gz FMDVONOJUMFIJS-LBPRGKRZSA-N 1 1 294.355 1.191 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343513253 152206686 /nfs/dbraw/zinc/20/66/86/152206686.db2.gz JXDQLFAQLSPFKN-NOZJJQNGSA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000343773706 152297525 /nfs/dbraw/zinc/29/75/25/152297525.db2.gz UULVMDVIEYLDAL-LBPRGKRZSA-N 1 1 298.364 1.383 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCCC[C@H]1C ZINC000349873012 154250375 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CC[N@@H+](CCNc1cccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357256914 157709868 /nfs/dbraw/zinc/70/98/68/157709868.db2.gz BBJYUXCFNCNLFI-UHFFFAOYSA-N 1 1 294.355 1.836 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000362073901 159060814 /nfs/dbraw/zinc/06/08/14/159060814.db2.gz AKMZNZLODATKNV-RYUDHWBXSA-N 1 1 280.324 1.534 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720490 196377527 /nfs/dbraw/zinc/37/75/27/196377527.db2.gz PHZFACIOEWRIEI-WDEREUQCSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720490 196377529 /nfs/dbraw/zinc/37/75/29/196377529.db2.gz PHZFACIOEWRIEI-WDEREUQCSA-N 1 1 295.339 1.889 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285735805 196382146 /nfs/dbraw/zinc/38/21/46/196382146.db2.gz QBRYXLHBWHLUNT-UHFFFAOYSA-N 1 1 292.299 1.033 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c2nonc21 ZINC000044417229 175173414 /nfs/dbraw/zinc/17/34/14/175173414.db2.gz BYOXLQNXHDNNQE-MRVPVSSYSA-N 1 1 289.295 1.780 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805854 262369060 /nfs/dbraw/zinc/36/90/60/262369060.db2.gz FQQOXEBGRIKVFU-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO COc1ccc(CN[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414875658 263090011 /nfs/dbraw/zinc/09/00/11/263090011.db2.gz CHLSVVYNAFYITF-VIFPVBQESA-N 1 1 253.302 1.430 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779619 274075132 /nfs/dbraw/zinc/07/51/32/274075132.db2.gz SMFLLCRNGNRHAE-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285779619 274075133 /nfs/dbraw/zinc/07/51/33/274075133.db2.gz SMFLLCRNGNRHAE-GHMZBOCLSA-N 1 1 295.339 1.889 20 5 CDBDMO Cc1c(C[N@H+](C[C@@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957631 280397700 /nfs/dbraw/zinc/39/77/00/280397700.db2.gz QKVWHAPTJBNZSI-GHMZBOCLSA-N 1 1 282.340 1.467 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157336212 289284125 /nfs/dbraw/zinc/28/41/25/289284125.db2.gz OYWMPXWZFNVKRX-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000555532937 290223162 /nfs/dbraw/zinc/22/31/62/290223162.db2.gz GJBWFZXKRVULSO-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000556083555 290252557 /nfs/dbraw/zinc/25/25/57/290252557.db2.gz NUGHEVCXNXSBFN-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000557541417 290351255 /nfs/dbraw/zinc/35/12/55/290351255.db2.gz RGWLSENMJFDXCO-LLVKDONJSA-N 1 1 277.324 1.551 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000560367035 293027505 /nfs/dbraw/zinc/02/75/05/293027505.db2.gz DNSDMZOJDXLAGH-LLVKDONJSA-N 1 1 294.355 1.393 20 5 CDBDMO [NH3+]Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000568882222 294119570 /nfs/dbraw/zinc/11/95/70/294119570.db2.gz ULTHNMJAVXIIPS-UHFFFAOYSA-N 1 1 277.284 1.481 20 5 CDBDMO Cc1nc(NCc2c[nH+]c3n2CCCC3)ncc1[N+](=O)[O-] ZINC000574898218 295072550 /nfs/dbraw/zinc/07/25/50/295072550.db2.gz PXQZBSSPOYMDBU-UHFFFAOYSA-N 1 1 288.311 1.260 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112928768 519618652 /nfs/dbraw/zinc/61/86/52/519618652.db2.gz FHCAQEBGYYOULI-UHFFFAOYSA-N 1 1 294.355 1.463 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068806534 523889873 /nfs/dbraw/zinc/88/98/73/523889873.db2.gz AEKLRXHYTYZGLD-LLVKDONJSA-N 1 1 298.774 1.906 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925099 525283148 /nfs/dbraw/zinc/28/31/48/525283148.db2.gz IGVHSGUFTWMDEO-NOZJJQNGSA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925099 525283154 /nfs/dbraw/zinc/28/31/54/525283154.db2.gz IGVHSGUFTWMDEO-NOZJJQNGSA-N 1 1 294.307 1.416 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338623979 527391684 /nfs/dbraw/zinc/39/16/84/527391684.db2.gz JCDDOTDPLFTUNL-ZDUSSCGKSA-N 1 1 284.287 1.380 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338623979 527391687 /nfs/dbraw/zinc/39/16/87/527391687.db2.gz JCDDOTDPLFTUNL-ZDUSSCGKSA-N 1 1 284.287 1.380 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074772809 545512379 /nfs/dbraw/zinc/51/23/79/545512379.db2.gz YDNCVFVGSBGARA-GFCCVEGCSA-N 1 1 293.371 1.496 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030495 575030792 /nfs/dbraw/zinc/03/07/92/575030792.db2.gz ROEIYVOGDCGVLQ-NSHDSACASA-N 1 1 289.339 1.996 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241381 576591843 /nfs/dbraw/zinc/59/18/43/576591843.db2.gz PIPADSBWOPYMNB-GFCCVEGCSA-N 1 1 291.351 1.738 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000748350044 576907610 /nfs/dbraw/zinc/90/76/10/576907610.db2.gz NGJWMTZJOWTQMT-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000748350044 576907611 /nfs/dbraw/zinc/90/76/11/576907611.db2.gz NGJWMTZJOWTQMT-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000754787335 576915477 /nfs/dbraw/zinc/91/54/77/576915477.db2.gz WXNNZBIHVGYDKE-GFCCVEGCSA-N 1 1 280.328 1.497 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000754787335 576915478 /nfs/dbraw/zinc/91/54/78/576915478.db2.gz WXNNZBIHVGYDKE-GFCCVEGCSA-N 1 1 280.328 1.497 20 5 CDBDMO O=[N+]([O-])c1ccc(Cc2noc(C[NH2+]C3CC3)n2)nc1 ZINC000843191355 617689126 /nfs/dbraw/zinc/68/91/26/617689126.db2.gz FIUUTCWRZYOSRK-UHFFFAOYSA-N 1 1 275.268 1.216 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938221 618198610 /nfs/dbraw/zinc/19/86/10/618198610.db2.gz CIZJBCQRTWCXRB-GZMMTYOYSA-N 1 1 282.731 1.784 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893948400 618214369 /nfs/dbraw/zinc/21/43/69/618214369.db2.gz DAUUDUTWZKXRJK-PSASIEDQSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893948400 618214375 /nfs/dbraw/zinc/21/43/75/618214375.db2.gz DAUUDUTWZKXRJK-PSASIEDQSA-N 1 1 282.296 1.264 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000894475291 618908799 /nfs/dbraw/zinc/90/87/99/618908799.db2.gz BGQPMGIVOKDXTG-SNVBAGLBSA-N 1 1 281.360 1.861 20 5 CDBDMO CCOc1c(OC)cc(C[NH2+]CC[N+](=O)[O-])cc1OC ZINC000905076032 626618342 /nfs/dbraw/zinc/61/83/42/626618342.db2.gz LHEAVYVOAKGAEL-UHFFFAOYSA-N 1 1 284.312 1.469 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000905207650 626692074 /nfs/dbraw/zinc/69/20/74/626692074.db2.gz HNIJQFJDHFUFPM-UHFFFAOYSA-N 1 1 256.689 1.641 20 5 CDBDMO CC(C)Oc1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905263376 626712423 /nfs/dbraw/zinc/71/24/23/626712423.db2.gz VAMIJFDCHCNCFT-HNNXBMFYSA-N 1 1 295.383 1.943 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOC3CC3)C2)nc1 ZINC000929986051 632224489 /nfs/dbraw/zinc/22/44/89/632224489.db2.gz FEPVUWMAFYLUEI-LLVKDONJSA-N 1 1 292.339 1.655 20 5 CDBDMO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966804 1161996164 /nfs/dbraw/zinc/99/61/64/1161996164.db2.gz LGGGGFCPJJTWNH-KBPBESRZSA-N 1 1 292.335 1.765 20 5 CDBDMO Cc1cnc(C[NH3+])n1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001169029443 1161997516 /nfs/dbraw/zinc/99/75/16/1161997516.db2.gz PQYJOTDBPQHSLO-UHFFFAOYSA-N 1 1 272.268 1.424 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000054132516 1166915534 /nfs/dbraw/zinc/91/55/34/1166915534.db2.gz XVROVAYPBLQYJX-UHFFFAOYSA-N 1 1 294.355 1.707 20 5 CDBDMO CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753580785 1185258485 /nfs/dbraw/zinc/25/84/85/1185258485.db2.gz RIDIBXXPFSTBAV-AAVRWANBSA-N 1 1 295.383 1.635 20 5 CDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC(F)(F)F ZINC000839735792 726261363 /nfs/dbraw/zinc/26/13/63/726261363.db2.gz FWPFDHMMTPJMAA-RKDXNWHRSA-N 1 1 297.277 1.042 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000886037606 726010104 /nfs/dbraw/zinc/01/01/04/726010104.db2.gz MFOIIUKAZSPDLV-ZDUSSCGKSA-N 1 1 263.297 1.602 20 5 CDBDMO Nc1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000829010222 726012516 /nfs/dbraw/zinc/01/25/16/726012516.db2.gz LNWWMBRZQHFMLR-TXEJJXNPSA-N 1 1 292.339 1.452 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832395374 726014568 /nfs/dbraw/zinc/01/45/68/726014568.db2.gz PLOUIMJFTXSTPO-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000832395374 726014569 /nfs/dbraw/zinc/01/45/69/726014569.db2.gz PLOUIMJFTXSTPO-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000930459235 726071537 /nfs/dbraw/zinc/07/15/37/726071537.db2.gz FMZRSBJKKXLOMA-MRVPVSSYSA-N 1 1 256.224 1.042 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000930459235 726071541 /nfs/dbraw/zinc/07/15/41/726071541.db2.gz FMZRSBJKKXLOMA-MRVPVSSYSA-N 1 1 256.224 1.042 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000886832183 726138342 /nfs/dbraw/zinc/13/83/42/726138342.db2.gz CHUGWANZLILRGC-UHFFFAOYSA-N 1 1 276.340 1.565 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000930457302 726162191 /nfs/dbraw/zinc/16/21/91/726162191.db2.gz AVUQOSPRBOGAMU-ILXRZTDVSA-N 1 1 276.336 1.768 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865507113 726187043 /nfs/dbraw/zinc/18/70/43/726187043.db2.gz ZLZNCDWDOXTTPI-VIFPVBQESA-N 1 1 283.303 1.590 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000886146740 726255838 /nfs/dbraw/zinc/25/58/38/726255838.db2.gz BEVJEMMJVZPWJX-LLVKDONJSA-N 1 1 251.286 1.337 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205270 726271139 /nfs/dbraw/zinc/27/11/39/726271139.db2.gz XCFZZDOPHNRUNA-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000839529675 726324462 /nfs/dbraw/zinc/32/44/62/726324462.db2.gz VBFXISAWFJMJAD-WRWGMCAJSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000839529675 726324464 /nfs/dbraw/zinc/32/44/64/726324464.db2.gz VBFXISAWFJMJAD-WRWGMCAJSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000839529675 726324468 /nfs/dbraw/zinc/32/44/68/726324468.db2.gz VBFXISAWFJMJAD-WRWGMCAJSA-N 1 1 269.345 1.031 20 5 CDBDMO CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025637912 726415929 /nfs/dbraw/zinc/41/59/29/726415929.db2.gz GFWXHASLVODOER-JYAVWHMHSA-N 1 1 289.335 1.551 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482451 726832079 /nfs/dbraw/zinc/83/20/79/726832079.db2.gz BJWTWJWOHIMMFN-OLZOCXBDSA-N 1 1 294.355 1.867 20 5 CDBDMO C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062009 726832467 /nfs/dbraw/zinc/83/24/67/726832467.db2.gz XCXPYGCLHAHJGZ-YGRLFVJLSA-N 1 1 280.324 1.301 20 5 CDBDMO C[C@@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930062009 726832471 /nfs/dbraw/zinc/83/24/71/726832471.db2.gz XCXPYGCLHAHJGZ-YGRLFVJLSA-N 1 1 280.324 1.301 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037644674 726867925 /nfs/dbraw/zinc/86/79/25/726867925.db2.gz OKEPBNWMINDDHC-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[N@@H+](CCn1cccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582860 726892233 /nfs/dbraw/zinc/89/22/33/726892233.db2.gz WDYZMHGBMIXETL-CQSZACIVSA-N 1 1 290.323 1.457 20 5 CDBDMO CC(C)CC[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000863669928 726906630 /nfs/dbraw/zinc/90/66/30/726906630.db2.gz GXTLVLCJKKMROS-QMMMGPOBSA-N 1 1 294.315 1.814 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000712312824 726990099 /nfs/dbraw/zinc/99/00/99/726990099.db2.gz ZQWONZXUTRCBDQ-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000712312824 726990103 /nfs/dbraw/zinc/99/01/03/726990103.db2.gz ZQWONZXUTRCBDQ-VIFPVBQESA-N 1 1 267.260 1.168 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])s1 ZINC000799939172 727021655 /nfs/dbraw/zinc/02/16/55/727021655.db2.gz FGFVUXZEMNSHQC-QMMMGPOBSA-N 1 1 256.331 1.948 20 5 CDBDMO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000828420541 727070951 /nfs/dbraw/zinc/07/09/51/727070951.db2.gz DOOVPRFYMULQNX-LLVKDONJSA-N 1 1 297.330 1.993 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000882486751 727222033 /nfs/dbraw/zinc/22/20/33/727222033.db2.gz VYRBVPUQVYWKHS-LBPRGKRZSA-N 1 1 277.324 1.727 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000929694820 727226276 /nfs/dbraw/zinc/22/62/76/727226276.db2.gz AZBGOIHMPIQRQO-IJLUTSLNSA-N 1 1 256.346 1.789 20 5 CDBDMO CCC[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839978200 727246395 /nfs/dbraw/zinc/24/63/95/727246395.db2.gz HGZDGIYKHHRKCM-CQSZACIVSA-N 1 1 293.323 1.831 20 5 CDBDMO CCC[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839978200 727246397 /nfs/dbraw/zinc/24/63/97/727246397.db2.gz HGZDGIYKHHRKCM-CQSZACIVSA-N 1 1 293.323 1.831 20 5 CDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000932720901 727329514 /nfs/dbraw/zinc/32/95/14/727329514.db2.gz SYGNSSFZPRGQTO-NXEZZACHSA-N 1 1 273.333 1.108 20 5 CDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000932720901 727329521 /nfs/dbraw/zinc/32/95/21/727329521.db2.gz SYGNSSFZPRGQTO-NXEZZACHSA-N 1 1 273.333 1.108 20 5 CDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930999787 727806743 /nfs/dbraw/zinc/80/67/43/727806743.db2.gz MUQIORICIGZDED-OAHLLOKOSA-N 1 1 277.368 1.512 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810840517 727811662 /nfs/dbraw/zinc/81/16/62/727811662.db2.gz HIMRDYIXDAVNTL-CMPLNLGQSA-N 1 1 293.323 1.717 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCOC1=O ZINC000796113112 727819209 /nfs/dbraw/zinc/81/92/09/727819209.db2.gz HAOHCBWOGAWQBZ-UHFFFAOYSA-N 1 1 293.323 1.521 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000928564009 727898816 /nfs/dbraw/zinc/89/88/16/727898816.db2.gz SSNGFOIVZBTNJC-LLVKDONJSA-N 1 1 297.742 1.611 20 5 CDBDMO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945761 727957287 /nfs/dbraw/zinc/95/72/87/727957287.db2.gz LHPABTQZDFBQSS-MNOVXSKESA-N 1 1 278.356 1.827 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357584 727978474 /nfs/dbraw/zinc/97/84/74/727978474.db2.gz CTTLSFWFMUFDAI-SUHUHFCYSA-N 1 1 280.324 1.331 20 5 CDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000826086461 727998484 /nfs/dbraw/zinc/99/84/84/727998484.db2.gz VFCYGDYNOQKOJO-NSHDSACASA-N 1 1 271.361 1.375 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890079882 728286571 /nfs/dbraw/zinc/28/65/71/728286571.db2.gz JRDZLVUSPLPMNB-UHFFFAOYSA-N 1 1 294.355 1.395 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000859971749 728361068 /nfs/dbraw/zinc/36/10/68/728361068.db2.gz NNCJCLHYFCCYNU-GDLCADMTSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C(N)=O ZINC001173225054 912315596 /nfs/dbraw/zinc/31/55/96/912315596.db2.gz BDJNBCKMCZHNRM-RISCZKNCSA-N 1 1 291.351 1.866 20 5 CDBDMO CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936917 909942485 /nfs/dbraw/zinc/94/24/85/909942485.db2.gz WTEYZJDEVDSAAF-XLMCQVRKSA-N 1 1 269.345 1.104 20 5 CDBDMO CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178449637 915416575 /nfs/dbraw/zinc/41/65/75/915416575.db2.gz BONVSVTXVVQRJE-ZIAGYGMSSA-N 1 1 299.415 1.964 20 5 CDBDMO [NH3+]CC[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000923485643 923872534 /nfs/dbraw/zinc/87/25/34/923872534.db2.gz KRUJSQXBWRKTPB-SNVBAGLBSA-N 1 1 267.304 1.905 20 5 CDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128393 927524015 /nfs/dbraw/zinc/52/40/15/927524015.db2.gz VAILCUVGBXSNNW-JTQLQIEISA-N 1 1 258.318 1.459 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128393 927524026 /nfs/dbraw/zinc/52/40/26/927524026.db2.gz VAILCUVGBXSNNW-JTQLQIEISA-N 1 1 258.318 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCCC2)C1 ZINC001168976703 927564212 /nfs/dbraw/zinc/56/42/12/927564212.db2.gz FMGKAXRCGNLDCX-ZIAGYGMSSA-N 1 1 269.389 1.897 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168996057 927602638 /nfs/dbraw/zinc/60/26/38/927602638.db2.gz UODGZKFCSXRANT-ZFWWWQNUSA-N 1 1 281.400 1.896 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005928 927608398 /nfs/dbraw/zinc/60/83/98/927608398.db2.gz DHZPEUIQASJJRO-UTUOFQBUSA-N 1 1 270.329 1.317 20 5 CDBDMO Cn1cc2c(n1)CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035346 927644282 /nfs/dbraw/zinc/64/42/82/927644282.db2.gz KMHAORQMEOALLF-CMPLNLGQSA-N 1 1 264.329 1.224 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037037 927647311 /nfs/dbraw/zinc/64/73/11/927647311.db2.gz HYMCIFAOVXRROA-YNEHKIRRSA-N 1 1 256.346 1.931 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccccn3)C2)C1 ZINC001169040419 927653622 /nfs/dbraw/zinc/65/36/22/927653622.db2.gz ZUIKHYRJGXGCTQ-IPYPFGDCSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccccn3)C2)C1 ZINC001169040419 927653627 /nfs/dbraw/zinc/65/36/27/927653627.db2.gz ZUIKHYRJGXGCTQ-IPYPFGDCSA-N 1 1 291.351 1.900 20 5 CDBDMO CCO[C@@H]1C[C@H]2CN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[N@H+]2C1 ZINC001169019205 927659681 /nfs/dbraw/zinc/65/96/81/927659681.db2.gz FPJFCUCAXAJRBY-CBBWQLFWSA-N 1 1 297.399 1.227 20 5 CDBDMO O=C1CCC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018254 927660702 /nfs/dbraw/zinc/66/07/02/927660702.db2.gz AEFMDYNVZAUEAD-UMVBOHGHSA-N 1 1 295.383 1.567 20 5 CDBDMO CCCC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024437 927662489 /nfs/dbraw/zinc/66/24/89/927662489.db2.gz HDIHJXRJXLXOCA-KBPBESRZSA-N 1 1 269.389 1.850 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050109 927668908 /nfs/dbraw/zinc/66/89/08/927668908.db2.gz YMHYLTWSUJONCT-RFQIPJPRSA-N 1 1 267.373 1.315 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050109 927668917 /nfs/dbraw/zinc/66/89/17/927668917.db2.gz YMHYLTWSUJONCT-RFQIPJPRSA-N 1 1 267.373 1.315 20 5 CDBDMO CCNC(=O)C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574143 927743795 /nfs/dbraw/zinc/74/37/95/927743795.db2.gz DHKMXYGJCRJODB-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776574143 927743800 /nfs/dbraw/zinc/74/38/00/927743800.db2.gz DHKMXYGJCRJODB-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO C[N@@H+](CCn1cccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582857 927748440 /nfs/dbraw/zinc/74/84/40/927748440.db2.gz WDYZMHGBMIXETL-AWEZNQCLSA-N 1 1 290.323 1.457 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156658750 928893779 /nfs/dbraw/zinc/89/37/79/928893779.db2.gz ILSJIPDAGHBVFR-CYBMUJFWSA-N 1 1 285.307 1.807 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)CCOCCO)c1 ZINC000882951516 930109161 /nfs/dbraw/zinc/10/91/61/930109161.db2.gz IOXNKYUBSNHFRF-UHFFFAOYSA-N 1 1 297.355 1.256 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001170897974 930693439 /nfs/dbraw/zinc/69/34/39/930693439.db2.gz KNQVENKUJTUTQC-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000800865930 935943562 /nfs/dbraw/zinc/94/35/62/935943562.db2.gz XNPGHDMVDITIGT-JTQLQIEISA-N 1 1 273.296 1.800 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001156380349 938360644 /nfs/dbraw/zinc/36/06/44/938360644.db2.gz ZHTYMQQMCAYMES-NSHDSACASA-N 1 1 279.344 1.837 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)nc1Cl ZINC001156623593 938396076 /nfs/dbraw/zinc/39/60/76/938396076.db2.gz AYQBXSWDPFNXDB-UHFFFAOYSA-N 1 1 294.702 1.075 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001157271577 938473518 /nfs/dbraw/zinc/47/35/18/938473518.db2.gz ISZPRACTMZXEQQ-KOLCDFICSA-N 1 1 277.328 1.102 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001159739654 938748093 /nfs/dbraw/zinc/74/80/93/938748093.db2.gz LKSZBTYJLIGSKC-SECBINFHSA-N 1 1 260.681 1.112 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])cc1N ZINC001160971150 938853076 /nfs/dbraw/zinc/85/30/76/938853076.db2.gz XRJPUOPYMXLQKL-SECBINFHSA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1nc(N[C@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162340436 939029417 /nfs/dbraw/zinc/02/94/17/939029417.db2.gz SNJOTPSHEACGPF-GFCCVEGCSA-N 1 1 265.317 1.589 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](C)C1 ZINC001163357884 939256618 /nfs/dbraw/zinc/25/66/18/939256618.db2.gz NDRYZCAXBOFRTA-WCQYABFASA-N 1 1 294.355 1.759 20 5 CDBDMO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCC1(F)F ZINC001164316728 939453004 /nfs/dbraw/zinc/45/30/04/939453004.db2.gz GDMOWPQEBZLHGM-MRVPVSSYSA-N 1 1 292.673 1.816 20 5 CDBDMO [NH3+][C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCC1(F)F ZINC001164319793 939454396 /nfs/dbraw/zinc/45/43/96/939454396.db2.gz PKHIAIKRLABGQW-QMMMGPOBSA-N 1 1 276.218 1.302 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000312386736 941349486 /nfs/dbraw/zinc/34/94/86/941349486.db2.gz FQTOFZSMYKTWQA-UHFFFAOYSA-N 1 1 296.718 1.964 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225667542 941896860 /nfs/dbraw/zinc/89/68/60/941896860.db2.gz UHSUTNKYEJBIDQ-SNVBAGLBSA-N 1 1 284.287 1.833 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295038 942164391 /nfs/dbraw/zinc/16/43/91/942164391.db2.gz IBLTVALNZVIEDK-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cncc([N+](=O)[O-])c1)C2 ZINC001227988916 942252530 /nfs/dbraw/zinc/25/25/30/942252530.db2.gz ZJDKTFKBOSMYAK-IAZYJMLFSA-N 1 1 263.297 1.994 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656123 942348855 /nfs/dbraw/zinc/34/88/55/942348855.db2.gz ZQWQZWSAQBQOMB-JTQLQIEISA-N 1 1 266.301 1.636 20 5 CDBDMO COc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)C[N+](C)(C)C ZINC001229138131 942424269 /nfs/dbraw/zinc/42/42/69/942424269.db2.gz TZDXPAFCFMXLIN-JTQLQIEISA-O 1 1 292.359 1.818 20 5 CDBDMO Cc1nc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375789 942460500 /nfs/dbraw/zinc/46/05/00/942460500.db2.gz LYMRBNCRUZJZQG-VIFPVBQESA-N 1 1 282.300 1.262 20 5 CDBDMO Cc1nc(O[C@H]2CCC[N@H+](C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229375789 942460505 /nfs/dbraw/zinc/46/05/05/942460505.db2.gz LYMRBNCRUZJZQG-VIFPVBQESA-N 1 1 282.300 1.262 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229374740 942460640 /nfs/dbraw/zinc/46/06/40/942460640.db2.gz QUQGUZFALLZPDJ-MRVPVSSYSA-N 1 1 290.279 1.327 20 5 CDBDMO CCOC(=O)c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001230912642 942732821 /nfs/dbraw/zinc/73/28/21/942732821.db2.gz IKFRQWNONREBKT-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702695 943643458 /nfs/dbraw/zinc/64/34/58/943643458.db2.gz PCWQGQAZZJJQLJ-SNVBAGLBSA-N 1 1 281.268 1.976 20 5 CDBDMO CN1CCC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575204 947534439 /nfs/dbraw/zinc/53/44/39/947534439.db2.gz PPFQPLBRSMXYFN-DOMZBBRYSA-N 1 1 289.379 1.993 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331701091 957214853 /nfs/dbraw/zinc/21/48/53/957214853.db2.gz GHRODSAUQOICCH-YPMHNXCESA-N 1 1 277.324 1.991 20 5 CDBDMO Cn1c[nH+]cc1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC001336891844 960711170 /nfs/dbraw/zinc/71/11/70/960711170.db2.gz PNJOYDCHZWXGOM-UHFFFAOYSA-N 1 1 290.327 1.446 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337811024 961440266 /nfs/dbraw/zinc/44/02/66/961440266.db2.gz VULNDSNIQHLXMN-NEPJUHHUSA-N 1 1 276.340 1.759 20 5 CDBDMO CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC001339913545 962619046 /nfs/dbraw/zinc/61/90/46/962619046.db2.gz IRVICZKXSUDVGC-UHFFFAOYSA-N 1 1 270.358 1.972 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001347855757 965729111 /nfs/dbraw/zinc/72/91/11/965729111.db2.gz LQPSUJKTWQEOPS-VIFPVBQESA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001353200201 967771524 /nfs/dbraw/zinc/77/15/24/967771524.db2.gz ZQDUEEDAIJQAAH-JTQLQIEISA-N 1 1 293.302 1.897 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590005480 342518913 /nfs/dbraw/zinc/51/89/13/342518913.db2.gz ZNVGMMJGVNGAIV-GDNZZTSVSA-N 1 1 278.308 1.274 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860438 342079364 /nfs/dbraw/zinc/07/93/64/342079364.db2.gz LOQZKAAUKHKAQM-CYBMUJFWSA-N 1 1 290.323 1.284 20 5 CDBDMO C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591136617 342619418 /nfs/dbraw/zinc/61/94/18/342619418.db2.gz PLHPUYXSRXLRMP-UHFFFAOYSA-N 1 1 254.265 1.271 20 5 CDBDMO CC(=O)NCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000592151882 342669150 /nfs/dbraw/zinc/66/91/50/342669150.db2.gz BZGBCGFNOGHAMB-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000592459968 342694229 /nfs/dbraw/zinc/69/42/29/342694229.db2.gz ROZSKNKMXLNIGY-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340609662 361883252 /nfs/dbraw/zinc/88/32/52/361883252.db2.gz QKHPVCZXMSGPSH-UWVGGRQHSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782611 342190564 /nfs/dbraw/zinc/19/05/64/342190564.db2.gz LWGCJEDMXGNXMV-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141941796 361959330 /nfs/dbraw/zinc/95/93/30/361959330.db2.gz UYZIZZGJOKTVDA-CQSZACIVSA-N 1 1 289.335 1.905 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290059413 361986563 /nfs/dbraw/zinc/98/65/63/361986563.db2.gz FBGFWQZLJKGCIC-RYUDHWBXSA-N 1 1 286.715 1.752 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](OC3CCC3)C2)n1 ZINC000594026746 342867804 /nfs/dbraw/zinc/86/78/04/342867804.db2.gz ODPOKXGJARAFQB-ZDUSSCGKSA-N 1 1 294.355 1.825 20 5 CDBDMO C[C@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594064191 342870006 /nfs/dbraw/zinc/87/00/06/342870006.db2.gz LGALRECWJMPDMK-NSHDSACASA-N 1 1 264.325 1.983 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422363 342903812 /nfs/dbraw/zinc/90/38/12/342903812.db2.gz YQOTWQDHJSIDFS-PWSUYJOCSA-N 1 1 292.339 1.670 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000595026912 342996784 /nfs/dbraw/zinc/99/67/84/342996784.db2.gz OKQWUFAISVANGX-NXEZZACHSA-N 1 1 295.339 1.731 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303859 349734392 /nfs/dbraw/zinc/73/43/92/349734392.db2.gz OEQXNOXSCOOKAB-SNVBAGLBSA-N 1 1 279.296 1.402 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000075617232 342313748 /nfs/dbraw/zinc/31/37/48/342313748.db2.gz LTMMAEPWYMPSCQ-GFCCVEGCSA-N 1 1 279.340 1.266 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347859 343044625 /nfs/dbraw/zinc/04/46/25/343044625.db2.gz NXKWXKRKKTZWKN-GFCCVEGCSA-N 1 1 283.284 1.276 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595347859 343044626 /nfs/dbraw/zinc/04/46/26/343044626.db2.gz NXKWXKRKKTZWKN-GFCCVEGCSA-N 1 1 283.284 1.276 20 5 CDBDMO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595447176 343053841 /nfs/dbraw/zinc/05/38/41/343053841.db2.gz GDNUNIZMGIFPLG-MWLCHTKSSA-N 1 1 285.300 1.175 20 5 CDBDMO CC[N@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596119149 343232783 /nfs/dbraw/zinc/23/27/83/343232783.db2.gz KGSAOIQXVOWZMX-UHFFFAOYSA-N 1 1 266.301 1.227 20 5 CDBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596176117 343260664 /nfs/dbraw/zinc/26/06/64/343260664.db2.gz XMCGXQCOEQPHDB-CYBMUJFWSA-N 1 1 299.334 1.593 20 5 CDBDMO CC[N@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000596270275 343281641 /nfs/dbraw/zinc/28/16/41/343281641.db2.gz YEORKBLCKABMJF-JTQLQIEISA-N 1 1 267.333 1.249 20 5 CDBDMO CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518865 343340752 /nfs/dbraw/zinc/34/07/52/343340752.db2.gz XXKJJNAJPUPPHO-NSHDSACASA-N 1 1 292.339 1.590 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756148 342418602 /nfs/dbraw/zinc/41/86/02/342418602.db2.gz OKGBFBLXXXORHR-CYBMUJFWSA-N 1 1 291.351 1.971 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925762 343663656 /nfs/dbraw/zinc/66/36/56/343663656.db2.gz QYXFRMJEYRLDSJ-JTQLQIEISA-N 1 1 294.355 1.536 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602607903 344491962 /nfs/dbraw/zinc/49/19/62/344491962.db2.gz KVVCAPRTPLWBMA-FFVOIRBGSA-N 1 1 297.336 1.593 20 5 CDBDMO CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802051 344591164 /nfs/dbraw/zinc/59/11/64/344591164.db2.gz SKSHIFHFMRVKLV-LLVKDONJSA-N 1 1 281.360 1.126 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)CO1 ZINC000602862884 344617918 /nfs/dbraw/zinc/61/79/18/344617918.db2.gz GBSHJEDTGDHKBB-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)CO1 ZINC000602862884 344617919 /nfs/dbraw/zinc/61/79/19/344617919.db2.gz GBSHJEDTGDHKBB-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057719219 347086528 /nfs/dbraw/zinc/08/65/28/347086528.db2.gz CRECXCUABUWXMG-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581632 346318789 /nfs/dbraw/zinc/31/87/89/346318789.db2.gz DYSLOXRBPKKQPX-MRVPVSSYSA-N 1 1 290.279 1.043 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCC1)CC2 ZINC000610710458 346365679 /nfs/dbraw/zinc/36/56/79/346365679.db2.gz PZOQUNORTMZYQU-UHFFFAOYSA-N 1 1 262.309 1.868 20 5 CDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293642620 362796788 /nfs/dbraw/zinc/79/67/88/362796788.db2.gz GEOIOCPWVSYQGW-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293642620 362796795 /nfs/dbraw/zinc/79/67/95/362796795.db2.gz GEOIOCPWVSYQGW-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO O=C1CCCN1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607567 365917737 /nfs/dbraw/zinc/91/77/37/365917737.db2.gz BJLYCZGLZPIADX-UHFFFAOYSA-N 1 1 289.335 1.575 20 5 CDBDMO O=C1CCCN1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607567 365917743 /nfs/dbraw/zinc/91/77/43/365917743.db2.gz BJLYCZGLZPIADX-UHFFFAOYSA-N 1 1 289.335 1.575 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cccnc1[N+](=O)[O-] ZINC000613701010 347878543 /nfs/dbraw/zinc/87/85/43/347878543.db2.gz SADWXDUOLKHYLR-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000109849490 186276625 /nfs/dbraw/zinc/27/66/25/186276625.db2.gz JYRBFEGZXXOTSB-NSHDSACASA-N 1 1 293.323 1.042 20 5 CDBDMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000109849909 186277320 /nfs/dbraw/zinc/27/73/20/186277320.db2.gz NGCLNFKLGHOHEL-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652177 186311394 /nfs/dbraw/zinc/31/13/94/186311394.db2.gz ISVMOPYRQJTACY-VIFPVBQESA-N 1 1 281.287 1.415 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000078022579 350768439 /nfs/dbraw/zinc/76/84/39/350768439.db2.gz VJOGDWHNLMENQE-JTQLQIEISA-N 1 1 267.333 1.105 20 5 CDBDMO C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123163316 187075215 /nfs/dbraw/zinc/07/52/15/187075215.db2.gz MAHMUHBMFORSAA-MRVPVSSYSA-N 1 1 269.257 1.316 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123163316 187075216 /nfs/dbraw/zinc/07/52/16/187075216.db2.gz MAHMUHBMFORSAA-MRVPVSSYSA-N 1 1 269.257 1.316 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516630872 363173546 /nfs/dbraw/zinc/17/35/46/363173546.db2.gz SXJXLKILRMBIBR-UHFFFAOYSA-N 1 1 291.311 1.258 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000154180793 188128041 /nfs/dbraw/zinc/12/80/41/188128041.db2.gz RIBSHQDLEVWKMJ-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411917511 363375165 /nfs/dbraw/zinc/37/51/65/363375165.db2.gz COHIILPNJXMMAF-WOPDTQHZSA-N 1 1 280.324 1.737 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762414 358511745 /nfs/dbraw/zinc/51/17/45/358511745.db2.gz ZYSFAUUUTULRMS-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048411457 357182242 /nfs/dbraw/zinc/18/22/42/357182242.db2.gz KEFYZGDGFMLHQF-LLVKDONJSA-N 1 1 277.324 1.809 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000407967075 357688573 /nfs/dbraw/zinc/68/85/73/357688573.db2.gz OSKTZXGMJLUVHD-JQWIXIFHSA-N 1 1 278.312 1.280 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000360910557 357743186 /nfs/dbraw/zinc/74/31/86/357743186.db2.gz VGAMROWHHGDKBL-LLVKDONJSA-N 1 1 297.359 1.252 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294507328 199066175 /nfs/dbraw/zinc/06/61/75/199066175.db2.gz POWMMDZHSPRLGV-NSHDSACASA-N 1 1 296.371 1.779 20 5 CDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000189383220 358003029 /nfs/dbraw/zinc/00/30/29/358003029.db2.gz MWWMNEHYOOTQRV-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000189383220 358003035 /nfs/dbraw/zinc/00/30/35/358003035.db2.gz MWWMNEHYOOTQRV-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189558489 358025333 /nfs/dbraw/zinc/02/53/33/358025333.db2.gz HICNIBWNEDJRGQ-QWHCGFSZSA-N 1 1 293.367 1.482 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190886197 358098137 /nfs/dbraw/zinc/09/81/37/358098137.db2.gz IYBVJMIAXZILTQ-OSMZGAPFSA-N 1 1 280.324 1.188 20 5 CDBDMO Cc1c([C@H](C)[NH2+]Cc2cnnn2C)cccc1[N+](=O)[O-] ZINC000287162637 358114413 /nfs/dbraw/zinc/11/44/13/358114413.db2.gz BUIABCDASCHTBJ-JTQLQIEISA-N 1 1 275.312 1.883 20 5 CDBDMO COCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193805681 358324377 /nfs/dbraw/zinc/32/43/77/358324377.db2.gz VLNXTASZACKADM-UHFFFAOYSA-N 1 1 283.284 1.971 20 5 CDBDMO COCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193805681 358324378 /nfs/dbraw/zinc/32/43/78/358324378.db2.gz VLNXTASZACKADM-UHFFFAOYSA-N 1 1 283.284 1.971 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000287298656 358379066 /nfs/dbraw/zinc/37/90/66/358379066.db2.gz IXDRSMRZEXWZME-SNVBAGLBSA-N 1 1 295.339 1.287 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051591343 358912894 /nfs/dbraw/zinc/91/28/94/358912894.db2.gz DULVQWSBUQXEDP-CQSZACIVSA-N 1 1 291.351 1.956 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000051591343 358912896 /nfs/dbraw/zinc/91/28/96/358912896.db2.gz DULVQWSBUQXEDP-CQSZACIVSA-N 1 1 291.351 1.956 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000134231241 358999866 /nfs/dbraw/zinc/99/98/66/358999866.db2.gz OIDILKJKBNULSS-UHFFFAOYSA-N 1 1 295.314 1.948 20 5 CDBDMO CC[C@H]1C[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357906759 359005060 /nfs/dbraw/zinc/00/50/60/359005060.db2.gz IXCRLDGXDQYQNI-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342448247 359054762 /nfs/dbraw/zinc/05/47/62/359054762.db2.gz RZWSTTBBNZJZEU-APPZFPTMSA-N 1 1 290.366 1.179 20 5 CDBDMO C[N@@H+](CC[C@@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612639 359135637 /nfs/dbraw/zinc/13/56/37/359135637.db2.gz YHEYWLVVJUNIDE-ZDUSSCGKSA-N 1 1 295.339 1.257 20 5 CDBDMO COc1ccc(C[N@@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000221196583 359508494 /nfs/dbraw/zinc/50/84/94/359508494.db2.gz XSFMALRENIDIPA-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000296824843 200008288 /nfs/dbraw/zinc/00/82/88/200008288.db2.gz GEKNXRVYSRAIFZ-SNVBAGLBSA-N 1 1 281.312 1.744 20 5 CDBDMO C[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000297807225 200284803 /nfs/dbraw/zinc/28/48/03/200284803.db2.gz IGKTWIFSTPTQOH-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000385839491 360358465 /nfs/dbraw/zinc/35/84/65/360358465.db2.gz VNUSRCLBKBVCGK-PWSUYJOCSA-N 1 1 250.298 1.798 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000575155310 360970910 /nfs/dbraw/zinc/97/09/10/360970910.db2.gz ILSOLKSMEJJRCY-NXEZZACHSA-N 1 1 293.371 1.928 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000277878888 361173284 /nfs/dbraw/zinc/17/32/84/361173284.db2.gz VXKQJGUYIAHHII-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200148 189349809 /nfs/dbraw/zinc/34/98/09/189349809.db2.gz YNJWWWSKTKTBQX-WCBMZHEXSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200148 189349810 /nfs/dbraw/zinc/34/98/10/189349810.db2.gz YNJWWWSKTKTBQX-WCBMZHEXSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295241616 363954511 /nfs/dbraw/zinc/95/45/11/363954511.db2.gz YFKZRWOKYJSKJZ-SNVBAGLBSA-N 1 1 295.339 1.625 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CNC1 ZINC000582295214 364082298 /nfs/dbraw/zinc/08/22/98/364082298.db2.gz GQBVBRAIBZYDBN-FZMZJTMJSA-N 1 1 275.352 1.867 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000101958758 364519018 /nfs/dbraw/zinc/51/90/18/364519018.db2.gz LCKVHTXYBRSSBQ-UHFFFAOYSA-N 1 1 293.323 1.515 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@@H]1O ZINC000305810560 364941911 /nfs/dbraw/zinc/94/19/11/364941911.db2.gz LZFRCEMZGKYSLR-AAEUAGOBSA-N 1 1 282.344 1.274 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000271183116 366982142 /nfs/dbraw/zinc/98/21/42/366982142.db2.gz IPOLJAKJFMGLCA-HZRUHFOJSA-N 1 1 289.335 1.771 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000271183116 366982147 /nfs/dbraw/zinc/98/21/47/366982147.db2.gz IPOLJAKJFMGLCA-HZRUHFOJSA-N 1 1 289.335 1.771 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000054460278 367294360 /nfs/dbraw/zinc/29/43/60/367294360.db2.gz ZALQXLATHAEDKH-LLVKDONJSA-N 1 1 292.339 1.512 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420376877 244170931 /nfs/dbraw/zinc/17/09/31/244170931.db2.gz ASRQJEJRHZDTOA-GXTWGEPZSA-N 1 1 293.371 1.255 20 5 CDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351823131 369304704 /nfs/dbraw/zinc/30/47/04/369304704.db2.gz CKMXVHGJPUMYCQ-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1c(C[N@@H+]2CCSC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000330845388 203305203 /nfs/dbraw/zinc/30/52/03/203305203.db2.gz NPVNHFMQJFQPGE-GFCCVEGCSA-N 1 1 282.365 1.813 20 5 CDBDMO Cc1c(C[N@H+]2CCSC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000330845388 203305207 /nfs/dbraw/zinc/30/52/07/203305207.db2.gz NPVNHFMQJFQPGE-GFCCVEGCSA-N 1 1 282.365 1.813 20 5 CDBDMO Cn1c[nH+]cc1CCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291072683 370158232 /nfs/dbraw/zinc/15/82/32/370158232.db2.gz LZWVOARBBTVGGV-UHFFFAOYSA-N 1 1 293.327 1.576 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356779202 373061870 /nfs/dbraw/zinc/06/18/70/373061870.db2.gz RKSTZLLHDUTCKT-VIFPVBQESA-N 1 1 296.327 1.154 20 5 CDBDMO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000520506542 373112772 /nfs/dbraw/zinc/11/27/72/373112772.db2.gz IJVIVAHGIIODCU-PWSUYJOCSA-N 1 1 262.313 1.439 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C)CC1 ZINC000298377837 373516774 /nfs/dbraw/zinc/51/67/74/373516774.db2.gz BUHRVFHDUYDHDL-UHFFFAOYSA-N 1 1 278.312 1.683 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091672895 374098681 /nfs/dbraw/zinc/09/86/81/374098681.db2.gz PYASEPOENMUAGQ-KGLIPLIRSA-N 1 1 277.324 1.870 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460989 374383071 /nfs/dbraw/zinc/38/30/71/374383071.db2.gz JDHVZQPWKXRQNZ-GHMZBOCLSA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460989 374383075 /nfs/dbraw/zinc/38/30/75/374383075.db2.gz JDHVZQPWKXRQNZ-GHMZBOCLSA-N 1 1 294.355 1.639 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331017761 374879138 /nfs/dbraw/zinc/87/91/38/374879138.db2.gz MMUYLKVKYJDUCV-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO CC(C)(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331299239 374925357 /nfs/dbraw/zinc/92/53/57/374925357.db2.gz BFRNUBIZABBUPV-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO CC(C)(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331299239 374925363 /nfs/dbraw/zinc/92/53/63/374925363.db2.gz BFRNUBIZABBUPV-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000280358117 374993875 /nfs/dbraw/zinc/99/38/75/374993875.db2.gz CLDRPPXUQSGHBY-GFCCVEGCSA-N 1 1 295.295 1.706 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000280358117 374993881 /nfs/dbraw/zinc/99/38/81/374993881.db2.gz CLDRPPXUQSGHBY-GFCCVEGCSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000280421238 374996856 /nfs/dbraw/zinc/99/68/56/374996856.db2.gz ZEYAEPPMFGPVAS-ZDUSSCGKSA-N 1 1 281.287 1.431 20 5 CDBDMO COC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282485121 375088514 /nfs/dbraw/zinc/08/85/14/375088514.db2.gz PFTWYIMCBDNWSA-UHFFFAOYSA-N 1 1 266.297 1.632 20 5 CDBDMO Cc1nn(C)c(NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227009945 375415313 /nfs/dbraw/zinc/41/53/13/375415313.db2.gz IYPYDEUPYWZYSA-QMMMGPOBSA-N 1 1 267.333 1.531 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162818750 375523196 /nfs/dbraw/zinc/52/31/96/375523196.db2.gz WDFTUWXHPPYSTH-WCQYABFASA-N 1 1 264.325 1.840 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC(O)C1 ZINC000353485682 375615691 /nfs/dbraw/zinc/61/56/91/375615691.db2.gz UYJZLERLUGZZKM-UHFFFAOYSA-N 1 1 277.280 1.691 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC(O)C1 ZINC000353485682 375615694 /nfs/dbraw/zinc/61/56/94/375615694.db2.gz UYJZLERLUGZZKM-UHFFFAOYSA-N 1 1 277.280 1.691 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc[nH+]c1C ZINC000030696190 375652885 /nfs/dbraw/zinc/65/28/85/375652885.db2.gz DJHRKJKFWZKNPI-UHFFFAOYSA-N 1 1 290.279 1.747 20 5 CDBDMO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959359 /nfs/dbraw/zinc/95/93/59/375959359.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959366 /nfs/dbraw/zinc/95/93/66/375959366.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 1 1 279.340 1.312 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCNC(=O)CC1 ZINC000296513628 376323449 /nfs/dbraw/zinc/32/34/49/376323449.db2.gz MGEJZKYLNFXUNO-LBPRGKRZSA-N 1 1 291.351 1.943 20 5 CDBDMO Nc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000263958172 190086203 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CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069510294 378191191 /nfs/dbraw/zinc/19/11/91/378191191.db2.gz ZGGOGNSWTNZWQY-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000069510294 378191198 /nfs/dbraw/zinc/19/11/98/378191198.db2.gz ZGGOGNSWTNZWQY-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO COCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469931 378455558 /nfs/dbraw/zinc/45/55/58/378455558.db2.gz ATMXPOUSLHJMMR-GFCCVEGCSA-N 1 1 294.355 1.903 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC000266912599 378665261 /nfs/dbraw/zinc/66/52/61/378665261.db2.gz JKJCRVVBIRGSQK-WDEREUQCSA-N 1 1 250.298 1.970 20 5 CDBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444675855 250164970 /nfs/dbraw/zinc/16/49/70/250164970.db2.gz SPIIWBNFYHAOHB-QPUJVOFHSA-N 1 1 276.296 1.284 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444675855 250164975 /nfs/dbraw/zinc/16/49/75/250164975.db2.gz SPIIWBNFYHAOHB-QPUJVOFHSA-N 1 1 276.296 1.284 20 5 CDBDMO Cc1cc(NCCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000266806209 190281533 /nfs/dbraw/zinc/28/15/33/190281533.db2.gz DFZFFWCEXZGKDP-UHFFFAOYSA-N 1 1 293.371 1.348 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268229372 190388218 /nfs/dbraw/zinc/38/82/18/190388218.db2.gz LFUJDHJQTBZUCP-GFCCVEGCSA-N 1 1 297.742 1.959 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)C1 ZINC000289051092 197221367 /nfs/dbraw/zinc/22/13/67/197221367.db2.gz ZZOYHIWWKIKEEM-JTQLQIEISA-N 1 1 267.333 1.483 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420376883 285189217 /nfs/dbraw/zinc/18/92/17/285189217.db2.gz ASRQJEJRHZDTOA-TZMCWYRMSA-N 1 1 293.371 1.255 20 5 CDBDMO CSCCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281369560 195214241 /nfs/dbraw/zinc/21/42/41/195214241.db2.gz LQQJTTRTBMFIBP-UHFFFAOYSA-N 1 1 285.369 1.441 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000450935457 390580281 /nfs/dbraw/zinc/58/02/81/390580281.db2.gz GLQIVWCYITZFJT-AWEZNQCLSA-N 1 1 280.324 1.485 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000450978299 390584056 /nfs/dbraw/zinc/58/40/56/390584056.db2.gz YFYVMCRSJDEVSP-CYBMUJFWSA-N 1 1 280.324 1.485 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451158178 390601855 /nfs/dbraw/zinc/60/18/55/390601855.db2.gz KAKVFRPRSGQLGF-VIFPVBQESA-N 1 1 278.312 1.674 20 5 CDBDMO COC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464722 533428345 /nfs/dbraw/zinc/42/83/45/533428345.db2.gz IEYDUCSZKKNMMR-SNVBAGLBSA-N 1 1 294.311 1.039 20 5 CDBDMO C[C@H]1[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343480452 391634497 /nfs/dbraw/zinc/63/44/97/391634497.db2.gz RHZVHTGSZSBHMZ-GXSJLCMTSA-N 1 1 292.339 1.588 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439300706 391583854 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COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000420981759 392924513 /nfs/dbraw/zinc/92/45/13/392924513.db2.gz GPMSTHOUYYACBJ-GFCCVEGCSA-N 1 1 293.323 1.314 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1[N+](=O)[O-] ZINC000420981759 392924517 /nfs/dbraw/zinc/92/45/17/392924517.db2.gz GPMSTHOUYYACBJ-GFCCVEGCSA-N 1 1 293.323 1.314 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000525291966 392925620 /nfs/dbraw/zinc/92/56/20/392925620.db2.gz UZCDQOWVDMMHMH-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO C[N@H+]1CC[C@@H](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000187651638 140081872 /nfs/dbraw/zinc/08/18/72/140081872.db2.gz QLKQRWMIHGCOTL-SECBINFHSA-N 1 1 289.291 1.143 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889178 140279122 /nfs/dbraw/zinc/27/91/22/140279122.db2.gz JJLMCEOMDHUEBG-GHMZBOCLSA-N 1 1 252.318 1.769 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668688 155342586 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CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362072341 159059582 /nfs/dbraw/zinc/05/95/82/159059582.db2.gz MJCFEMCUGDSDJB-AAEUAGOBSA-N 1 1 264.325 1.698 20 5 CDBDMO C[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020496726 171227069 /nfs/dbraw/zinc/22/70/69/171227069.db2.gz CFLNKUZDYALQLF-VMPITWQZSA-N 1 1 289.335 1.772 20 5 CDBDMO C[N@@H+](CCOCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285373934 196264976 /nfs/dbraw/zinc/26/49/76/196264976.db2.gz REUUEQGJUHWLNI-UHFFFAOYSA-N 1 1 268.313 1.078 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285615118 196344231 /nfs/dbraw/zinc/34/42/31/196344231.db2.gz KBKHEIIWBKKBLC-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285615118 196344233 /nfs/dbraw/zinc/34/42/33/196344233.db2.gz KBKHEIIWBKKBLC-JTQLQIEISA-N 1 1 281.312 1.500 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccco1 ZINC000038629889 174150122 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CC[C@@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589682 523739777 /nfs/dbraw/zinc/73/97/77/523739777.db2.gz CHRZCUXAHYTXFZ-CYBMUJFWSA-N 1 1 282.344 1.276 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCOCC1 ZINC000052812273 525576223 /nfs/dbraw/zinc/57/62/23/525576223.db2.gz XBKGTQXVNLXZDT-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983299 526904979 /nfs/dbraw/zinc/90/49/79/526904979.db2.gz OKVODQLLPMXIPG-NSHDSACASA-N 1 1 263.297 1.292 20 5 CDBDMO NC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386466 526959894 /nfs/dbraw/zinc/95/98/94/526959894.db2.gz NWFOIEPKQAJWQK-ZDUSSCGKSA-N 1 1 293.323 1.313 20 5 CDBDMO NC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386466 526959896 /nfs/dbraw/zinc/95/98/96/526959896.db2.gz NWFOIEPKQAJWQK-ZDUSSCGKSA-N 1 1 293.323 1.313 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](OC)C2)c1[N+](=O)[O-] ZINC000891693015 617541879 /nfs/dbraw/zinc/54/18/79/617541879.db2.gz 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CC[N@@H+](C)Cc1cccc(CNCC[N+](=O)[O-])c1 ZINC000905062982 626611992 /nfs/dbraw/zinc/61/19/92/626611992.db2.gz QGENTZHPMWLOTD-UHFFFAOYSA-N 1 1 251.330 1.505 20 5 CDBDMO Cc1ccc(C2=NO[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1C ZINC000905255208 626707678 /nfs/dbraw/zinc/70/76/78/626707678.db2.gz QWZOETKRTFRUGX-ZDUSSCGKSA-N 1 1 277.324 1.663 20 5 CDBDMO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912805061 630217649 /nfs/dbraw/zinc/21/76/49/630217649.db2.gz IGQJKQWXXRPGAH-FVCCEPFGSA-N 1 1 283.372 1.230 20 5 CDBDMO COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001233979604 1167392314 /nfs/dbraw/zinc/39/23/14/1167392314.db2.gz ABEJQTYCXLFHLV-GFCCVEGCSA-N 1 1 280.324 1.597 20 5 CDBDMO O=C(Oc1cnn2c1C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC001580804274 1172545527 /nfs/dbraw/zinc/54/55/27/1172545527.db2.gz PFFHGHRDSPOIAN-UHFFFAOYSA-N 1 1 288.263 1.114 20 5 CDBDMO CC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001590717118 1173497168 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BLDPXZPVMBKMSW-XJFOESAGSA-N 1 1 295.383 1.373 20 5 CDBDMO CCOC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000113923412 728805510 /nfs/dbraw/zinc/80/55/10/728805510.db2.gz YVKUDEQZQVCHOQ-NSHDSACASA-N 1 1 268.317 1.497 20 5 CDBDMO CCOC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000113923412 728805511 /nfs/dbraw/zinc/80/55/11/728805511.db2.gz YVKUDEQZQVCHOQ-NSHDSACASA-N 1 1 268.317 1.497 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000776270205 728835900 /nfs/dbraw/zinc/83/59/00/728835900.db2.gz APKJHXDAGFOXLL-STQMWFEESA-N 1 1 266.297 1.085 20 5 CDBDMO CC[N@@H+](CCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589108 728892184 /nfs/dbraw/zinc/89/21/84/728892184.db2.gz PKTNRYYZQWIWSQ-CYBMUJFWSA-N 1 1 268.313 1.333 20 5 CDBDMO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776276502 728435178 /nfs/dbraw/zinc/43/51/78/728435178.db2.gz KGIYEYOTDLKYKW-CYBMUJFWSA-N 1 1 280.324 1.739 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776276502 728435180 /nfs/dbraw/zinc/43/51/80/728435180.db2.gz KGIYEYOTDLKYKW-CYBMUJFWSA-N 1 1 280.324 1.739 20 5 CDBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)c1ccsc1 ZINC000791051358 728970247 /nfs/dbraw/zinc/97/02/47/728970247.db2.gz BJNKJQMVCOIDMO-UHFFFAOYSA-N 1 1 283.353 1.219 20 5 CDBDMO O=[N+]([O-])CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931747089 729022721 /nfs/dbraw/zinc/02/27/21/729022721.db2.gz KOQXCOQNWONACQ-JKSUJKDBSA-N 1 1 289.379 1.717 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000886302792 729095856 /nfs/dbraw/zinc/09/58/56/729095856.db2.gz WPBRYEWOTVTJKV-MVWJERBFSA-N 1 1 263.297 1.335 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822235324 729127485 /nfs/dbraw/zinc/12/74/85/729127485.db2.gz CNPNFRXMEABLKE-LLVKDONJSA-N 1 1 271.361 1.422 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886280812 729159065 /nfs/dbraw/zinc/15/90/65/729159065.db2.gz LSHXKCHAOFUGGY-GXSJLCMTSA-N 1 1 251.286 1.335 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337659 729286024 /nfs/dbraw/zinc/28/60/24/729286024.db2.gz AIYKVYHXYYRTAD-PHIMTYICSA-N 1 1 275.308 1.793 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337659 729286029 /nfs/dbraw/zinc/28/60/29/729286029.db2.gz AIYKVYHXYYRTAD-PHIMTYICSA-N 1 1 275.308 1.793 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000929679668 729379943 /nfs/dbraw/zinc/37/99/43/729379943.db2.gz ICBORSLFQRRFAI-NSHDSACASA-N 1 1 275.312 1.185 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000929679668 729379944 /nfs/dbraw/zinc/37/99/44/729379944.db2.gz ICBORSLFQRRFAI-NSHDSACASA-N 1 1 275.312 1.185 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000842629909 729383466 /nfs/dbraw/zinc/38/34/66/729383466.db2.gz YZUNDOUHTDWXEC-ZDUSSCGKSA-N 1 1 287.323 1.942 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000842629909 729383468 /nfs/dbraw/zinc/38/34/68/729383468.db2.gz YZUNDOUHTDWXEC-ZDUSSCGKSA-N 1 1 287.323 1.942 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000037644673 729383618 /nfs/dbraw/zinc/38/36/18/729383618.db2.gz OKEPBNWMINDDHC-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000847016600 729460983 /nfs/dbraw/zinc/46/09/83/729460983.db2.gz LQNNPKZKMQHJNP-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712323515 729553332 /nfs/dbraw/zinc/55/33/32/729553332.db2.gz OGLRCXCDQUJKGN-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000712323515 729553335 /nfs/dbraw/zinc/55/33/35/729553335.db2.gz OGLRCXCDQUJKGN-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@@H+](CCCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887141227 729685015 /nfs/dbraw/zinc/68/50/15/729685015.db2.gz KHVXKQZAOLEKJJ-GFCCVEGCSA-N 1 1 256.277 1.920 20 5 CDBDMO O=C(C[NH+]1CCCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000820135238 729866513 /nfs/dbraw/zinc/86/65/13/729866513.db2.gz BVCPIBIHXKVPMA-UHFFFAOYSA-N 1 1 275.308 1.580 20 5 CDBDMO Cc1c(Cc2noc([C@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843191390 729882031 /nfs/dbraw/zinc/88/20/31/729882031.db2.gz GTEWPKVGGJJWOX-QMMMGPOBSA-N 1 1 262.269 1.897 20 5 CDBDMO COc1cc(Cc2noc(C3([NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000843191086 729885452 /nfs/dbraw/zinc/88/54/52/729885452.db2.gz CDDQDVPPGMOJAQ-UHFFFAOYSA-N 1 1 290.279 1.525 20 5 CDBDMO C[N@@H+](CCCCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789343710 729913489 /nfs/dbraw/zinc/91/34/89/729913489.db2.gz ZNRWBUNUHDENSM-AWEZNQCLSA-N 1 1 282.340 1.723 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121168 729977305 /nfs/dbraw/zinc/97/73/05/729977305.db2.gz WZDCMYHWJNFSSU-ZJUUUORDSA-N 1 1 251.286 1.193 20 5 CDBDMO COCC[N@H+](CC(C)C)Cn1nccc1[N+](=O)[O-] ZINC000123520468 730369613 /nfs/dbraw/zinc/36/96/13/730369613.db2.gz GBBXXVUSNQVATJ-UHFFFAOYSA-N 1 1 256.306 1.353 20 5 CDBDMO COCC[N@@H+](CC(C)C)Cn1nccc1[N+](=O)[O-] ZINC000123520468 730369618 /nfs/dbraw/zinc/36/96/18/730369618.db2.gz GBBXXVUSNQVATJ-UHFFFAOYSA-N 1 1 256.306 1.353 20 5 CDBDMO CC[N@@H+](CCC(N)=O)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226339 912322039 /nfs/dbraw/zinc/32/20/39/912322039.db2.gz INFRJZPYXRESAO-NSHDSACASA-N 1 1 279.340 1.723 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001173238325 912366805 /nfs/dbraw/zinc/36/68/05/912366805.db2.gz PJOXEHOHIPRHBU-IUODEOHRSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CC[C@@H]2C1 ZINC001173238325 912366825 /nfs/dbraw/zinc/36/68/25/912366825.db2.gz PJOXEHOHIPRHBU-IUODEOHRSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2CC[C@@H]2C1 ZINC001173238325 912366844 /nfs/dbraw/zinc/36/68/44/912366844.db2.gz PJOXEHOHIPRHBU-IUODEOHRSA-N 1 1 275.352 1.916 20 5 CDBDMO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167280878 895051874 /nfs/dbraw/zinc/05/18/74/895051874.db2.gz GQWWMIXRJCSVAI-JTQLQIEISA-N 1 1 293.323 1.806 20 5 CDBDMO [NH3+][C@@H]1C[C@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908863 912037822 /nfs/dbraw/zinc/03/78/22/912037822.db2.gz ATIMVXJUIFWRBC-IACUBPJLSA-N 1 1 261.325 1.531 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976329 927562896 /nfs/dbraw/zinc/56/28/96/927562896.db2.gz CUBVCLZXQSELHT-DCAQKATOSA-N 1 1 256.302 1.069 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168978342 927565768 /nfs/dbraw/zinc/56/57/68/927565768.db2.gz RFJIARQKNWRUEU-LOWDOPEQSA-N 1 1 286.372 1.999 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168968079 927591227 /nfs/dbraw/zinc/59/12/27/927591227.db2.gz VHXNOMXMIITGRZ-AXFHLTTASA-N 1 1 258.318 1.219 20 5 CDBDMO CCN(CC)CC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006024 927608814 /nfs/dbraw/zinc/60/88/14/927608814.db2.gz FJTVKSDQABLALB-STQMWFEESA-N 1 1 257.378 1.705 20 5 CDBDMO CC[NH+](CC)CCN(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006024 927608816 /nfs/dbraw/zinc/60/88/16/927608816.db2.gz FJTVKSDQABLALB-STQMWFEESA-N 1 1 257.378 1.705 20 5 CDBDMO CCC(CC)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001169006473 927610952 /nfs/dbraw/zinc/61/09/52/927610952.db2.gz XWUBGMQVAIJCEG-GHMZBOCLSA-N 1 1 272.345 1.753 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001169006399 927611982 /nfs/dbraw/zinc/61/19/82/927611982.db2.gz HRRNIRPOIGNADV-ZFWWWQNUSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCCO[C@H]3C2)C1 ZINC001169010719 927616432 /nfs/dbraw/zinc/61/64/32/927616432.db2.gz FUEGNQWNWCFWSV-RFGFWPKPSA-N 1 1 268.357 1.933 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC001169028375 927634489 /nfs/dbraw/zinc/63/44/89/927634489.db2.gz RWDAKZXGZCZNDM-ZFWWWQNUSA-N 1 1 281.400 1.992 20 5 CDBDMO CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033294 927641141 /nfs/dbraw/zinc/64/11/41/927641141.db2.gz BSDNSWHOFIBNET-XQQFMLRXSA-N 1 1 256.346 1.789 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169034258 927641702 /nfs/dbraw/zinc/64/17/02/927641702.db2.gz GKQVKUDPUOSMLT-KOLCDFICSA-N 1 1 250.302 1.181 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169034258 927641709 /nfs/dbraw/zinc/64/17/09/927641709.db2.gz GKQVKUDPUOSMLT-KOLCDFICSA-N 1 1 250.302 1.181 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169035500 927643370 /nfs/dbraw/zinc/64/33/70/927643370.db2.gz BOEFXKKMPCCNDV-JQWIXIFHSA-N 1 1 264.329 1.224 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3ncncc3C2)C1 ZINC001169038282 927649251 /nfs/dbraw/zinc/64/92/51/927649251.db2.gz XROUDOBYJWQGBJ-JQWIXIFHSA-N 1 1 262.313 1.280 20 5 CDBDMO COCCC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038464 927649891 /nfs/dbraw/zinc/64/98/91/927649891.db2.gz YXXORFKHLHJEOI-KBPBESRZSA-N 1 1 285.388 1.086 20 5 CDBDMO O=C1CCC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018255 927659294 /nfs/dbraw/zinc/65/92/94/927659294.db2.gz AEFMDYNVZAUEAD-VNHYZAJKSA-N 1 1 295.383 1.567 20 5 CDBDMO COCc1noc2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169020125 927660747 /nfs/dbraw/zinc/66/07/47/927660747.db2.gz INODTMPDXNBRAF-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ncccn3)C2)C1 ZINC001169050632 927668487 /nfs/dbraw/zinc/66/84/87/927668487.db2.gz CANLJZIUOAFASH-UPJWGTAASA-N 1 1 292.339 1.375 20 5 CDBDMO O=C1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169052061 927670047 /nfs/dbraw/zinc/67/00/47/927670047.db2.gz FUMSUGLWXODJOD-UPJWGTAASA-N 1 1 281.356 1.129 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579242 927754303 /nfs/dbraw/zinc/75/43/03/927754303.db2.gz KGBNIQBQIZFRTI-MFKMUULPSA-N 1 1 296.323 1.369 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632414 937257324 /nfs/dbraw/zinc/25/73/24/937257324.db2.gz KIFYXDSBALHJSK-GXTWGEPZSA-N 1 1 262.309 1.452 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C)CC1 ZINC000782838216 937260792 /nfs/dbraw/zinc/26/07/92/937260792.db2.gz ZQCRMACCNXTZEC-UHFFFAOYSA-N 1 1 278.312 1.683 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000882483306 930010705 /nfs/dbraw/zinc/01/07/05/930010705.db2.gz XGUTYUMYTPNYQO-SECBINFHSA-N 1 1 283.353 1.789 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000882483306 930010715 /nfs/dbraw/zinc/01/07/15/930010715.db2.gz XGUTYUMYTPNYQO-SECBINFHSA-N 1 1 283.353 1.789 20 5 CDBDMO COc1cc([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])cc1F ZINC001170899357 930698350 /nfs/dbraw/zinc/69/83/50/930698350.db2.gz JNJNSDRCONLEBA-LLVKDONJSA-N 1 1 272.280 1.178 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159743060 930782077 /nfs/dbraw/zinc/78/20/77/930782077.db2.gz BTQRCNKKCSRORQ-VIFPVBQESA-N 1 1 295.126 1.766 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000886116973 930808215 /nfs/dbraw/zinc/80/82/15/930808215.db2.gz WIRPIBVFJFCPOZ-YPMHNXCESA-N 1 1 279.340 1.973 20 5 CDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147001 930814694 /nfs/dbraw/zinc/81/46/94/930814694.db2.gz HLENJUXFHFEODW-BXUZGUMPSA-N 1 1 279.340 1.973 20 5 CDBDMO COc1cc(N[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580846 938388693 /nfs/dbraw/zinc/38/86/93/938388693.db2.gz WROPXWHYUAZBEP-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156591040 938390398 /nfs/dbraw/zinc/39/03/98/938390398.db2.gz RYGFWHZOXFEXCE-GFCCVEGCSA-N 1 1 291.351 1.973 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001156927514 938435170 /nfs/dbraw/zinc/43/51/70/938435170.db2.gz ARMFXAKWCTUBCD-LBPRGKRZSA-N 1 1 294.355 1.905 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@H]3C2)n1 ZINC001158424432 938622559 /nfs/dbraw/zinc/62/25/59/938622559.db2.gz UYTSMHZCEZLYIO-QMMMGPOBSA-N 1 1 283.719 1.241 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@H]3C2)n1 ZINC001158424432 938622560 /nfs/dbraw/zinc/62/25/60/938622560.db2.gz UYTSMHZCEZLYIO-QMMMGPOBSA-N 1 1 283.719 1.241 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(NC2C[NH+](C(C)(C)C)C2)n1 ZINC001162221866 938963987 /nfs/dbraw/zinc/96/39/87/938963987.db2.gz VMLCPUNZLALKSI-UHFFFAOYSA-N 1 1 295.343 1.596 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664676 941896347 /nfs/dbraw/zinc/89/63/47/941896347.db2.gz RFJMHXGPAWCTCS-DDFAGTSDSA-N 1 1 293.323 1.805 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112029 942136298 /nfs/dbraw/zinc/13/62/98/942136298.db2.gz VVMOPOVKTNLWIF-SNVBAGLBSA-N 1 1 296.283 1.761 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228016215 942258509 /nfs/dbraw/zinc/25/85/09/942258509.db2.gz KMZVIUXLEWZHIS-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312818 942604825 /nfs/dbraw/zinc/60/48/25/942604825.db2.gz LVQKDYXABIUWSW-QMMMGPOBSA-N 1 1 267.241 1.586 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764154 943652123 /nfs/dbraw/zinc/65/21/23/943652123.db2.gz YQUNJDCTRBXGLZ-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)N(C)CC1 ZINC001254561654 947524419 /nfs/dbraw/zinc/52/44/19/947524419.db2.gz HSTRQYLQPBPAOT-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C ZINC001254562148 947525558 /nfs/dbraw/zinc/52/55/58/947525558.db2.gz KBGHRJGNLFKXAV-NSHDSACASA-N 1 1 279.340 1.546 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)C ZINC001254562148 947525566 /nfs/dbraw/zinc/52/55/66/947525566.db2.gz KBGHRJGNLFKXAV-NSHDSACASA-N 1 1 279.340 1.546 20 5 CDBDMO CC(C)[N@H+](CCN)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571976 947530587 /nfs/dbraw/zinc/53/05/87/947530587.db2.gz FTPPWEYEQYDDTI-AWEZNQCLSA-N 1 1 263.341 1.731 20 5 CDBDMO CC(C)[N@@H+](CCN)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571976 947530592 /nfs/dbraw/zinc/53/05/92/947530592.db2.gz FTPPWEYEQYDDTI-AWEZNQCLSA-N 1 1 263.341 1.731 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599275 947549481 /nfs/dbraw/zinc/54/94/81/947549481.db2.gz NCJDCVLJGNEGQG-BIGNPOOSSA-N 1 1 262.309 1.517 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1=O ZINC001246295641 948089168 /nfs/dbraw/zinc/08/91/68/948089168.db2.gz URCCWINXHHNVQC-GXFFZTMASA-N 1 1 277.324 1.046 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780095 956441005 /nfs/dbraw/zinc/44/10/05/956441005.db2.gz DNWFKRJTLQZSGM-JQWIXIFHSA-N 1 1 268.317 1.148 20 5 CDBDMO Cc1cn2c(nc(C)c2C[NH2+]CC[N+](=O)[O-])s1 ZINC001335454313 959814691 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COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000589494223 342507774 /nfs/dbraw/zinc/50/77/74/342507774.db2.gz DRSOTFRIWMFPJB-LBPRGKRZSA-N 1 1 294.307 1.338 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000589494223 342507775 /nfs/dbraw/zinc/50/77/75/342507775.db2.gz DRSOTFRIWMFPJB-LBPRGKRZSA-N 1 1 294.307 1.338 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601370235 342557689 /nfs/dbraw/zinc/55/76/89/342557689.db2.gz WJYXDJYZXVWNAP-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000601370235 342557690 /nfs/dbraw/zinc/55/76/90/342557690.db2.gz WJYXDJYZXVWNAP-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000074313774 361783280 /nfs/dbraw/zinc/78/32/80/361783280.db2.gz MJCHZGUWHNMGEX-LBPRGKRZSA-N 1 1 293.323 1.298 20 5 CDBDMO COc1cc(C)[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000339740713 361814539 /nfs/dbraw/zinc/81/45/39/361814539.db2.gz QPQHNTCCWMRTDQ-UHFFFAOYSA-N 1 1 275.264 1.517 20 5 CDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330567008 365610074 /nfs/dbraw/zinc/61/00/74/365610074.db2.gz BAPGQVPUUVQNPN-OLZOCXBDSA-N 1 1 293.367 1.998 20 5 CDBDMO COc1cc(C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1F ZINC000593109228 342769161 /nfs/dbraw/zinc/76/91/61/342769161.db2.gz XGQBVIZNAFUFQQ-VIFPVBQESA-N 1 1 286.303 1.945 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])cc1F ZINC000593109228 342769163 /nfs/dbraw/zinc/76/91/63/342769163.db2.gz XGQBVIZNAFUFQQ-VIFPVBQESA-N 1 1 286.303 1.945 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593187567 342776281 /nfs/dbraw/zinc/77/62/81/342776281.db2.gz LYIVVDUVQDNPKB-MXWKQRLJSA-N 1 1 294.355 1.486 20 5 CDBDMO C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000593730808 342830388 /nfs/dbraw/zinc/83/03/88/342830388.db2.gz HHQJASITFUEGBU-RYUDHWBXSA-N 1 1 281.360 1.241 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201682 342879864 /nfs/dbraw/zinc/87/98/64/342879864.db2.gz PGFQPJJAORTTFO-GHMZBOCLSA-N 1 1 293.323 1.935 20 5 CDBDMO Cc1c(CN(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736042 342246273 /nfs/dbraw/zinc/24/62/73/342246273.db2.gz PMBSTEAZHJMEBV-UHFFFAOYSA-N 1 1 267.329 1.310 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419791 342903181 /nfs/dbraw/zinc/90/31/81/342903181.db2.gz RLQRULLASIAIHI-MNOVXSKESA-N 1 1 293.327 1.065 20 5 CDBDMO C[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000125980078 187208692 /nfs/dbraw/zinc/20/86/92/187208692.db2.gz TWXFMLISEUABJT-UHFFFAOYSA-N 1 1 289.129 1.781 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000595293148 343025568 /nfs/dbraw/zinc/02/55/68/343025568.db2.gz ZKHRXJYJVBORGU-SNVBAGLBSA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000595293148 343025570 /nfs/dbraw/zinc/02/55/70/343025570.db2.gz ZKHRXJYJVBORGU-SNVBAGLBSA-N 1 1 268.288 1.938 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000075617228 342313724 /nfs/dbraw/zinc/31/37/24/342313724.db2.gz LTMMAEPWYMPSCQ-LBPRGKRZSA-N 1 1 279.340 1.266 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595312373 343033420 /nfs/dbraw/zinc/03/34/20/343033420.db2.gz LLEYCSHBJBYCQE-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595312373 343033423 /nfs/dbraw/zinc/03/34/23/343033423.db2.gz LLEYCSHBJBYCQE-LLVKDONJSA-N 1 1 254.261 1.955 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388325 343052947 /nfs/dbraw/zinc/05/29/47/343052947.db2.gz GSJKMLBBYGKLQT-VHSXEESVSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388325 343052948 /nfs/dbraw/zinc/05/29/48/343052948.db2.gz GSJKMLBBYGKLQT-VHSXEESVSA-N 1 1 269.301 1.484 20 5 CDBDMO CC[N@H+](CCOCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472352 343073492 /nfs/dbraw/zinc/07/34/92/343073492.db2.gz LPUCQBFKQYHUAM-UHFFFAOYSA-N 1 1 286.303 1.565 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472352 343073494 /nfs/dbraw/zinc/07/34/94/343073494.db2.gz LPUCQBFKQYHUAM-UHFFFAOYSA-N 1 1 286.303 1.565 20 5 CDBDMO Cc1ccnc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000265285388 362092758 /nfs/dbraw/zinc/09/27/58/362092758.db2.gz XDHGMJSJENVIKH-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000265285388 362092759 /nfs/dbraw/zinc/09/27/59/362092759.db2.gz XDHGMJSJENVIKH-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744315 343150332 /nfs/dbraw/zinc/15/03/32/343150332.db2.gz VTZTVUGCJBMUKO-OCCSQVGLSA-N 1 1 289.335 1.695 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595805992 343158774 /nfs/dbraw/zinc/15/87/74/343158774.db2.gz CQIXFAYQVMQUKG-SGMGOOAPSA-N 1 1 292.335 1.676 20 5 CDBDMO COCC[N@@H+](C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596075131 343226207 /nfs/dbraw/zinc/22/62/07/343226207.db2.gz XIYRGPZSVZRNKP-UHFFFAOYSA-N 1 1 284.316 1.076 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170205 343258488 /nfs/dbraw/zinc/25/84/88/343258488.db2.gz XYTXTHKKQFDEOK-MNOVXSKESA-N 1 1 292.339 1.616 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596277502 343296084 /nfs/dbraw/zinc/29/60/84/343296084.db2.gz GVKURAHPZYSUTA-SECBINFHSA-N 1 1 266.301 1.226 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567052 349805316 /nfs/dbraw/zinc/80/53/16/349805316.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567052 349805321 /nfs/dbraw/zinc/80/53/21/349805321.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567052 349805326 /nfs/dbraw/zinc/80/53/26/349805326.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC000602825187 344611566 /nfs/dbraw/zinc/61/15/66/344611566.db2.gz JYIVXBYJELIBRC-UHFFFAOYSA-N 1 1 281.360 1.126 20 5 CDBDMO Cc1ccnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292680718 362489802 /nfs/dbraw/zinc/48/98/02/362489802.db2.gz DPYLOCSYICIVFW-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000603706523 344827619 /nfs/dbraw/zinc/82/76/19/344827619.db2.gz QOHSMMVIEOYFHM-QWRGUYRKSA-N 1 1 292.339 1.290 20 5 CDBDMO O=C(C[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025404447 362523546 /nfs/dbraw/zinc/52/35/46/362523546.db2.gz CKSQWUVSAXDNKV-UHFFFAOYSA-N 1 1 289.335 1.970 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCOC1 ZINC000610453356 346286612 /nfs/dbraw/zinc/28/66/12/346286612.db2.gz YLWSKIWFGGCTDJ-LLVKDONJSA-N 1 1 268.317 1.150 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@H]3CCCOC3)C2)nc1 ZINC000610569960 346314864 /nfs/dbraw/zinc/31/48/64/346314864.db2.gz IEHFYRVOMDQWPT-AAEUAGOBSA-N 1 1 292.339 1.655 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221650 346695718 /nfs/dbraw/zinc/69/57/18/346695718.db2.gz DSLKLALCLWDTBI-MNOVXSKESA-N 1 1 264.329 1.909 20 5 CDBDMO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000615496094 348560544 /nfs/dbraw/zinc/56/05/44/348560544.db2.gz BNIJEJWMUAFFKF-ZJUUUORDSA-N 1 1 292.339 1.223 20 5 CDBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000067703045 349033739 /nfs/dbraw/zinc/03/37/39/349033739.db2.gz OHNPBOKZNGCQPA-NSHDSACASA-N 1 1 289.335 1.870 20 5 CDBDMO CN(C)C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292089924 198159359 /nfs/dbraw/zinc/15/93/59/198159359.db2.gz GRRZHGYRZLIHQM-UHFFFAOYSA-N 1 1 265.313 1.508 20 5 CDBDMO CCNC(=O)C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153712471 188098520 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O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000246960796 356555247 /nfs/dbraw/zinc/55/52/47/356555247.db2.gz XLQADRPXJKQTQO-NWDGAFQWSA-N 1 1 280.328 1.292 20 5 CDBDMO C[C@H](NC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000341352565 357234257 /nfs/dbraw/zinc/23/42/57/357234257.db2.gz BATXENICMHAZFH-NSHDSACASA-N 1 1 292.339 1.613 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000119067108 357253655 /nfs/dbraw/zinc/25/36/55/357253655.db2.gz MVYYHBOZBXXNSH-UHFFFAOYSA-N 1 1 261.285 1.318 20 5 CDBDMO C[C@H](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182241170 357425409 /nfs/dbraw/zinc/42/54/09/357425409.db2.gz PYBAGLMMSIAEEC-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187938082 357825829 /nfs/dbraw/zinc/82/58/29/357825829.db2.gz JEMOILXLKHMLKQ-GFCCVEGCSA-N 1 1 279.340 1.879 20 5 CDBDMO COC(=O)[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000190086331 358051746 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COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264468307 190111549 /nfs/dbraw/zinc/11/15/49/190111549.db2.gz FVFCUSXODHTNJN-LBPRGKRZSA-N 1 1 293.323 1.045 20 5 CDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000264605524 190122224 /nfs/dbraw/zinc/12/22/24/190122224.db2.gz CVTHZGYKLDXQQW-UHFFFAOYSA-N 1 1 292.383 1.669 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264767331 190133641 /nfs/dbraw/zinc/13/36/41/190133641.db2.gz NQXHGBMGKJSEDS-SNVBAGLBSA-N 1 1 280.328 1.527 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)CCCO)c1 ZINC000265500397 190186601 /nfs/dbraw/zinc/18/66/01/190186601.db2.gz XNZFDHAXOZOZAK-UHFFFAOYSA-N 1 1 288.731 1.425 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)CCCO)c1 ZINC000265500397 190186602 /nfs/dbraw/zinc/18/66/02/190186602.db2.gz XNZFDHAXOZOZAK-UHFFFAOYSA-N 1 1 288.731 1.425 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3sccc3C2)c1 ZINC000172718328 377716228 /nfs/dbraw/zinc/71/62/28/377716228.db2.gz 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COc1c(O)ccc(C[N@@H+]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000892071912 617461835 /nfs/dbraw/zinc/46/18/35/617461835.db2.gz XXHHSZLMFUYCKD-SNVBAGLBSA-N 1 1 282.296 1.530 20 5 CDBDMO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278866 614399451 /nfs/dbraw/zinc/39/94/51/614399451.db2.gz UFTZUTBCKFFDJS-GBOPCIDUSA-N 1 1 295.383 1.230 20 5 CDBDMO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278866 614399452 /nfs/dbraw/zinc/39/94/52/614399452.db2.gz UFTZUTBCKFFDJS-GBOPCIDUSA-N 1 1 295.383 1.230 20 5 CDBDMO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278866 614399454 /nfs/dbraw/zinc/39/94/54/614399454.db2.gz UFTZUTBCKFFDJS-GBOPCIDUSA-N 1 1 295.383 1.230 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CNCCOC1 ZINC000925628158 617576080 /nfs/dbraw/zinc/57/60/80/617576080.db2.gz GMTGLXSGLAVAEJ-LBPRGKRZSA-N 1 1 299.758 1.369 20 5 CDBDMO CC[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000931772829 617725889 /nfs/dbraw/zinc/72/58/89/617725889.db2.gz OJVUZSOKIPYWEG-ZETCQYMHSA-N 1 1 260.240 1.734 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893471907 617963328 /nfs/dbraw/zinc/96/33/28/617963328.db2.gz JDVBCURAYWNLEJ-VHSXEESVSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000893964378 618224819 /nfs/dbraw/zinc/22/48/19/618224819.db2.gz PYAWEBLHWSEFGG-CQSZACIVSA-N 1 1 292.339 1.530 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000894435989 618886007 /nfs/dbraw/zinc/88/60/07/618886007.db2.gz GMMAUDNJCSXNDG-QWRGUYRKSA-N 1 1 279.344 1.757 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000895184312 619437634 /nfs/dbraw/zinc/43/76/34/619437634.db2.gz CHOCTMOBAWMZHW-VIFPVBQESA-N 1 1 284.312 1.512 20 5 CDBDMO CC[C@H](CNCC[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000899869185 622495261 /nfs/dbraw/zinc/49/52/61/622495261.db2.gz BOTVVOWOXZOIDG-OAHLLOKOSA-N 1 1 277.368 1.690 20 5 CDBDMO CC[C@H](CNCC[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000899869185 622495262 /nfs/dbraw/zinc/49/52/62/622495262.db2.gz BOTVVOWOXZOIDG-OAHLLOKOSA-N 1 1 277.368 1.690 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000899871831 622497093 /nfs/dbraw/zinc/49/70/93/622497093.db2.gz WLZAWHVBOXOEAV-UHFFFAOYSA-N 1 1 272.688 1.478 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000905090942 626605514 /nfs/dbraw/zinc/60/55/14/626605514.db2.gz WGVBRFCIITVUTG-CHWSQXEVSA-N 1 1 250.298 1.773 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905213873 626694864 /nfs/dbraw/zinc/69/48/64/626694864.db2.gz RXLNNDCBCBXBKU-OCCSQVGLSA-N 1 1 263.341 1.373 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905213873 626694865 /nfs/dbraw/zinc/69/48/65/626694865.db2.gz RXLNNDCBCBXBKU-OCCSQVGLSA-N 1 1 263.341 1.373 20 5 CDBDMO C[NH+]1CCC(Oc2ccc(CNCC[N+](=O)[O-])cc2)CC1 ZINC000905255730 626707770 /nfs/dbraw/zinc/70/77/70/626707770.db2.gz MWDYISSJPKTXCC-UHFFFAOYSA-N 1 1 293.367 1.526 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336565 1162339401 /nfs/dbraw/zinc/33/94/01/1162339401.db2.gz ZKNSPPVXKZEQEO-RWSFTLGLSA-N 1 1 294.351 1.847 20 5 CDBDMO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2ccc3cccnc3c2n1 ZINC001157933641 1162576233 /nfs/dbraw/zinc/57/62/33/1162576233.db2.gz ZXMNQUVLPAUUMR-UHFFFAOYSA-N 1 1 292.302 1.528 20 5 CDBDMO Cc1cccc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167358275 1158637329 /nfs/dbraw/zinc/63/73/29/1158637329.db2.gz NLJYGTGFQDXTKX-UHFFFAOYSA-N 1 1 259.269 1.027 20 5 CDBDMO COc1nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164635693 719170069 /nfs/dbraw/zinc/17/00/69/719170069.db2.gz LGVHDMBTJXGVLT-UWVGGRQHSA-N 1 1 280.328 1.527 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164669525 719378498 /nfs/dbraw/zinc/37/84/98/719378498.db2.gz QNDSIHRJKWXSEG-WDEREUQCSA-N 1 1 298.730 1.162 20 5 CDBDMO CC[N@@H+](CCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776589111 1164452299 /nfs/dbraw/zinc/45/22/99/1164452299.db2.gz PKTNRYYZQWIWSQ-ZDUSSCGKSA-N 1 1 268.313 1.333 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCCCO)C2CC2)cc1 ZINC000776584347 730546418 /nfs/dbraw/zinc/54/64/18/730546418.db2.gz MQLMAFNOOUZUIS-HNNXBMFYSA-N 1 1 294.351 1.865 20 5 CDBDMO CC[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864391422 730580356 /nfs/dbraw/zinc/58/03/56/730580356.db2.gz UNSVIXMWVYFKNO-UHFFFAOYSA-N 1 1 295.314 1.441 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791055385 730585831 /nfs/dbraw/zinc/58/58/31/730585831.db2.gz SXWOLBDDSVSJSR-SECBINFHSA-N 1 1 253.258 1.831 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599701 730636406 /nfs/dbraw/zinc/63/64/06/730636406.db2.gz YVDQUXQNVZYUBA-SECBINFHSA-N 1 1 275.312 1.761 20 5 CDBDMO CC(=O)c1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000884822675 730757948 /nfs/dbraw/zinc/75/79/48/730757948.db2.gz BWARKFZWGSWBHU-UHFFFAOYSA-N 1 1 281.312 1.133 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000124969347 730772514 /nfs/dbraw/zinc/77/25/14/730772514.db2.gz DMYJQZGGZWFYJB-JTQLQIEISA-N 1 1 270.358 1.803 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000124969347 730772520 /nfs/dbraw/zinc/77/25/20/730772520.db2.gz DMYJQZGGZWFYJB-JTQLQIEISA-N 1 1 270.358 1.803 20 5 CDBDMO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839688873 730922395 /nfs/dbraw/zinc/92/23/95/730922395.db2.gz IKXMOTOGABEKPU-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO C[N@H+](C[C@@H]1CCCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000107670729 731329706 /nfs/dbraw/zinc/32/97/06/731329706.db2.gz KGCOMPCTSXKJHM-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO C[N@@H+](C[C@@H]1CCCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000107670729 731329711 /nfs/dbraw/zinc/32/97/11/731329711.db2.gz KGCOMPCTSXKJHM-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO CCn1ncnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819279815 731418417 /nfs/dbraw/zinc/41/84/17/731418417.db2.gz RTUAOBWMLBTNHS-GFCCVEGCSA-N 1 1 291.311 1.029 20 5 CDBDMO O=C(NC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292451 731419930 /nfs/dbraw/zinc/41/99/30/731419930.db2.gz JQPOJFFMEVOYBJ-ZIAGYGMSSA-N 1 1 295.383 1.422 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000776594234 731596660 /nfs/dbraw/zinc/59/66/60/731596660.db2.gz ZLBPXXFBJMBTTC-AWEZNQCLSA-N 1 1 288.307 1.410 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000776594234 731596663 /nfs/dbraw/zinc/59/66/63/731596663.db2.gz ZLBPXXFBJMBTTC-AWEZNQCLSA-N 1 1 288.307 1.410 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000882961729 731805426 /nfs/dbraw/zinc/80/54/26/731805426.db2.gz WDKJVXKSVLTGEG-NSHDSACASA-N 1 1 292.339 1.461 20 5 CDBDMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025641724 731850255 /nfs/dbraw/zinc/85/02/55/731850255.db2.gz MVWPYJVXEONYID-IMRBUKKESA-N 1 1 275.308 1.161 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886188202 731886017 /nfs/dbraw/zinc/88/60/17/731886017.db2.gz MWNFXMDSURYAKY-JQWIXIFHSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886188202 731886019 /nfs/dbraw/zinc/88/60/19/731886019.db2.gz MWNFXMDSURYAKY-JQWIXIFHSA-N 1 1 265.313 1.989 20 5 CDBDMO C[N@@H+](CC1CCOCC1)Cn1cc([N+](=O)[O-])cn1 ZINC000124641653 732127869 /nfs/dbraw/zinc/12/78/69/732127869.db2.gz LQYKGDXOINAKIS-UHFFFAOYSA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000925310671 732285076 /nfs/dbraw/zinc/28/50/76/732285076.db2.gz OJGHPCQNNJSYFW-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000776277185 732344399 /nfs/dbraw/zinc/34/43/99/732344399.db2.gz LQSRGTCPIUFTAV-QEJZJMRPSA-N 1 1 294.351 1.721 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000884825992 732452736 /nfs/dbraw/zinc/45/27/36/732452736.db2.gz BGRHZCKHLCSFRO-UHFFFAOYSA-N 1 1 289.282 1.868 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000828422137 732460110 /nfs/dbraw/zinc/46/01/10/732460110.db2.gz OKCBVIGWEQMWGN-LBPRGKRZSA-N 1 1 294.355 1.436 20 5 CDBDMO Cn1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000923310730 732708013 /nfs/dbraw/zinc/70/80/13/732708013.db2.gz XSXCEBWSMNMNGR-WDEREUQCSA-N 1 1 292.339 1.242 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000928557410 732795074 /nfs/dbraw/zinc/79/50/74/732795074.db2.gz RZAOORRROCQWJS-NSHDSACASA-N 1 1 293.323 1.346 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000928557410 732795090 /nfs/dbraw/zinc/79/50/90/732795090.db2.gz RZAOORRROCQWJS-NSHDSACASA-N 1 1 293.323 1.346 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195478 732805384 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CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048607750 733086891 /nfs/dbraw/zinc/08/68/91/733086891.db2.gz KYZCGHJKVRLSFA-FDYHWXHSSA-N 1 1 283.372 1.184 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135593 733090588 /nfs/dbraw/zinc/09/05/88/733090588.db2.gz PIRMYQCOLVWKAS-RDBSUJKOSA-N 1 1 289.335 1.519 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000110920892 733124553 /nfs/dbraw/zinc/12/45/53/733124553.db2.gz NMAINJCXHHLWGK-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000110920892 733124556 /nfs/dbraw/zinc/12/45/56/733124556.db2.gz NMAINJCXHHLWGK-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000931001777 733140459 /nfs/dbraw/zinc/14/04/59/733140459.db2.gz ZSZFLHJGJPJVAM-UONOGXRCSA-N 1 1 264.325 1.361 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2ncnc2C1 ZINC001173225403 912313994 /nfs/dbraw/zinc/31/39/94/912313994.db2.gz JSQMEJNNTPCOEB-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2ncnc2C1 ZINC001173225403 912314010 /nfs/dbraw/zinc/31/40/10/912314010.db2.gz JSQMEJNNTPCOEB-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO COc1nc(N2CCc3[nH+]ccn3CC2)ccc1[N+](=O)[O-] ZINC001167178352 894811624 /nfs/dbraw/zinc/81/16/24/894811624.db2.gz VPLKWBXVTUNNTL-UHFFFAOYSA-N 1 1 289.295 1.258 20 5 CDBDMO COc1c(F)cc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278585 895022247 /nfs/dbraw/zinc/02/22/47/895022247.db2.gz NHWSWMFEFAONAE-QMMMGPOBSA-N 1 1 269.276 1.859 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001117687901 921980297 /nfs/dbraw/zinc/98/02/97/921980297.db2.gz RALZWTKTEKMYDT-GHMZBOCLSA-N 1 1 276.340 1.757 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547334 936915022 /nfs/dbraw/zinc/91/50/22/936915022.db2.gz RDMSGMRZYVNBCC-MEBFFEOJSA-N 1 1 295.383 1.515 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547334 936915024 /nfs/dbraw/zinc/91/50/24/936915024.db2.gz RDMSGMRZYVNBCC-MEBFFEOJSA-N 1 1 295.383 1.515 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547334 936915027 /nfs/dbraw/zinc/91/50/27/936915027.db2.gz RDMSGMRZYVNBCC-MEBFFEOJSA-N 1 1 295.383 1.515 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168968080 927591256 /nfs/dbraw/zinc/59/12/56/927591256.db2.gz VHXNOMXMIITGRZ-DCAQKATOSA-N 1 1 258.318 1.219 20 5 CDBDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036735 927646704 /nfs/dbraw/zinc/64/67/04/927646704.db2.gz PVAUHXTYDALJKX-WDEREUQCSA-N 1 1 254.330 1.733 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)C1 ZINC001169039087 927651165 /nfs/dbraw/zinc/65/11/65/927651165.db2.gz MYZWQPOCGSMXOX-FVCCEPFGSA-N 1 1 254.330 1.543 20 5 CDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169017527 927657443 /nfs/dbraw/zinc/65/74/43/927657443.db2.gz AIKQHDHJJDXFOD-QNWHQSFQSA-N 1 1 255.362 1.456 20 5 CDBDMO Cc1noc(C[NH+]2CCC(CCCO)CC2)c1[N+](=O)[O-] ZINC000851921162 927662499 /nfs/dbraw/zinc/66/24/99/927662499.db2.gz LDFDDRPCESGLPB-UHFFFAOYSA-N 1 1 283.328 1.876 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cccs2)C1 ZINC001169023191 927663642 /nfs/dbraw/zinc/66/36/42/927663642.db2.gz DJGZWSIQYDIPDE-RYUDHWBXSA-N 1 1 284.381 1.988 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026816 927666082 /nfs/dbraw/zinc/66/60/82/927666082.db2.gz OJKWTZALYLXKCV-UPJWGTAASA-N 1 1 269.345 1.032 20 5 CDBDMO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169055883 927670962 /nfs/dbraw/zinc/67/09/62/927670962.db2.gz QYRUFNPYUUNCCS-GHMZBOCLSA-N 1 1 265.313 1.787 20 5 CDBDMO Cc1nc2c(o1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169055883 927670973 /nfs/dbraw/zinc/67/09/73/927670973.db2.gz QYRUFNPYUUNCCS-GHMZBOCLSA-N 1 1 265.313 1.787 20 5 CDBDMO Nc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853232203 927989393 /nfs/dbraw/zinc/98/93/93/927989393.db2.gz VTSGOUCMJHWDFO-JTQLQIEISA-N 1 1 262.313 1.826 20 5 CDBDMO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959743 930645955 /nfs/dbraw/zinc/64/59/55/930645955.db2.gz IBRQXXBMRTWSMK-UFBFGSQYSA-N 1 1 264.329 1.565 20 5 CDBDMO CC[C@@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306981 930855599 /nfs/dbraw/zinc/85/55/99/930855599.db2.gz GXIKGVAUUDJZDU-CYBMUJFWSA-N 1 1 265.313 1.727 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306981 930855601 /nfs/dbraw/zinc/85/56/01/930855601.db2.gz GXIKGVAUUDJZDU-CYBMUJFWSA-N 1 1 265.313 1.727 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001121296613 937866252 /nfs/dbraw/zinc/86/62/52/937866252.db2.gz LCCQKRZVFGSQDG-LLVKDONJSA-N 1 1 296.375 1.073 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001157021584 938446508 /nfs/dbraw/zinc/44/65/08/938446508.db2.gz ORUZYSTZCNRKHV-LBPRGKRZSA-N 1 1 294.355 1.456 20 5 CDBDMO O=C(NCCC[NH2+]CCc1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001157774851 938544115 /nfs/dbraw/zinc/54/41/15/938544115.db2.gz DDGPYEMAMVMGEE-VXGBXAGGSA-N 1 1 297.380 1.052 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3CC[C@@H]3C2)n1 ZINC001158423766 938621496 /nfs/dbraw/zinc/62/14/96/938621496.db2.gz NFDOPOZAIDEERD-SECBINFHSA-N 1 1 268.704 1.538 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001159739655 938748341 /nfs/dbraw/zinc/74/83/41/938748341.db2.gz LKSZBTYJLIGSKC-VIFPVBQESA-N 1 1 260.681 1.112 20 5 CDBDMO Cc1cc(N[C@@H](N)CCC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001159785870 938753148 /nfs/dbraw/zinc/75/31/48/938753148.db2.gz USDDQHJYINWIKU-CYBMUJFWSA-N 1 1 289.339 1.887 20 5 CDBDMO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CCC1(F)F ZINC001164317148 939453300 /nfs/dbraw/zinc/45/33/00/939453300.db2.gz NJPCCLRISIQUAI-SSDOTTSWSA-N 1 1 292.673 1.816 20 5 CDBDMO [NH3+][C@@H]1CN(c2cccc([N+](=O)[O-])n2)CCC1(F)F ZINC001164319245 939454538 /nfs/dbraw/zinc/45/45/38/939454538.db2.gz BMYYRFRJZGMLIP-SSDOTTSWSA-N 1 1 258.228 1.163 20 5 CDBDMO COCCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165096719 939509522 /nfs/dbraw/zinc/50/95/22/939509522.db2.gz DOTRVFXOSHCQQP-UHFFFAOYSA-N 1 1 298.318 1.287 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@](C)(O)C2)ncc1[N+](=O)[O-] ZINC001165227838 939528415 /nfs/dbraw/zinc/52/84/15/939528415.db2.gz FJSPVROIRDZRIJ-YVARQFDVSA-N 1 1 292.339 1.483 20 5 CDBDMO COC(=O)[C@@H](O[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638877 941689026 /nfs/dbraw/zinc/68/90/26/941689026.db2.gz ABWVCUZTILHDEE-MFKMUULPSA-N 1 1 294.307 1.530 20 5 CDBDMO Cc1cccc(COC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223661533 941690641 /nfs/dbraw/zinc/69/06/41/941690641.db2.gz RNPHJBMELZIMKO-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1cccc(COC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223661533 941690643 /nfs/dbraw/zinc/69/06/43/941690643.db2.gz RNPHJBMELZIMKO-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO COc1cccc(CO[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001223808534 941699778 /nfs/dbraw/zinc/69/97/78/941699778.db2.gz CAWMGZFYTYBDFV-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449631 941861667 /nfs/dbraw/zinc/86/16/67/941861667.db2.gz XDHLWNMRQNPOGH-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1cnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001227234314 942154427 /nfs/dbraw/zinc/15/44/27/942154427.db2.gz GDPHOIDGRSLJFT-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cnc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001227234314 942154430 /nfs/dbraw/zinc/15/44/30/942154430.db2.gz GDPHOIDGRSLJFT-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715487 942211708 /nfs/dbraw/zinc/21/17/08/942211708.db2.gz BEZVYMFACKSMCN-BDAKNGLRSA-O 1 1 268.337 1.247 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074627 942777288 /nfs/dbraw/zinc/77/72/88/942777288.db2.gz QDAJXDBMBFYKOY-VIFPVBQESA-O 1 1 280.323 1.948 20 5 CDBDMO C[C@@]1(O)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254592925 947542962 /nfs/dbraw/zinc/54/29/62/947542962.db2.gz HEAKZSJHMGJHSC-SOUVJXGZSA-N 1 1 294.326 1.857 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254592925 947542979 /nfs/dbraw/zinc/54/29/79/947542979.db2.gz HEAKZSJHMGJHSC-SOUVJXGZSA-N 1 1 294.326 1.857 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592733 947543163 /nfs/dbraw/zinc/54/31/63/947543163.db2.gz GHMHFOUCQPNNKC-ONERCXAPSA-N 1 1 276.336 1.765 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001254597393 947546784 /nfs/dbraw/zinc/54/67/84/947546784.db2.gz DBQKDZMZZIUEHD-HOTGVXAUSA-N 1 1 287.363 1.842 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3nncc3C1)C2 ZINC001254605553 947553737 /nfs/dbraw/zinc/55/37/37/947553737.db2.gz BOCHWVYGEZVHPT-ZDUSSCGKSA-N 1 1 285.307 1.169 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3nncc3C1)C2 ZINC001254605553 947553741 /nfs/dbraw/zinc/55/37/41/947553741.db2.gz BOCHWVYGEZVHPT-ZDUSSCGKSA-N 1 1 285.307 1.169 20 5 CDBDMO O=C1CC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001327545908 954927049 /nfs/dbraw/zinc/92/70/49/954927049.db2.gz HETHGZIJDBIALN-ZDUSSCGKSA-N 1 1 276.292 1.659 20 5 CDBDMO O=C1CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001327545908 954927057 /nfs/dbraw/zinc/92/70/57/954927057.db2.gz HETHGZIJDBIALN-ZDUSSCGKSA-N 1 1 276.292 1.659 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]([N@@H+](C)CC)C1 ZINC001307235623 956383415 /nfs/dbraw/zinc/38/34/15/956383415.db2.gz RCURALHIOFVFOJ-NSHDSACASA-N 1 1 281.360 1.650 20 5 CDBDMO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001331229144 956901564 /nfs/dbraw/zinc/90/15/64/956901564.db2.gz HOFKWRZYEWSVCL-LBPRGKRZSA-N 1 1 293.323 1.907 20 5 CDBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001331229144 956901575 /nfs/dbraw/zinc/90/15/75/956901575.db2.gz HOFKWRZYEWSVCL-LBPRGKRZSA-N 1 1 293.323 1.907 20 5 CDBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331602661 957160818 /nfs/dbraw/zinc/16/08/18/957160818.db2.gz ZIYRKUFETZLUKG-QWRGUYRKSA-N 1 1 293.323 1.906 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001336047301 960172644 /nfs/dbraw/zinc/17/26/44/960172644.db2.gz QPXGPIHNKPZBOY-SNVBAGLBSA-N 1 1 278.230 1.605 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1-c1nnc(C[NH+](C)C)o1 ZINC001322339082 960187833 /nfs/dbraw/zinc/18/78/33/960187833.db2.gz HKSZILNDENPXPI-UHFFFAOYSA-N 1 1 291.311 1.772 20 5 CDBDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC[N+](=O)[O-] ZINC001354696860 968847243 /nfs/dbraw/zinc/84/72/43/968847243.db2.gz KMGBZMSAEPFSIW-ZDUSSCGKSA-N 1 1 252.314 1.453 20 5 CDBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC[N+](=O)[O-] ZINC001354696860 968847248 /nfs/dbraw/zinc/84/72/48/968847248.db2.gz KMGBZMSAEPFSIW-ZDUSSCGKSA-N 1 1 252.314 1.453 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC(F)(F)CO)c2c1 ZINC000601144304 342481130 /nfs/dbraw/zinc/48/11/30/342481130.db2.gz SFOVKHJFYBNSOW-UHFFFAOYSA-N 1 1 283.234 1.604 20 5 CDBDMO CC(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201781 343980354 /nfs/dbraw/zinc/98/03/54/343980354.db2.gz JTIPNFYRHRQLDM-LBPRGKRZSA-N 1 1 293.323 1.276 20 5 CDBDMO CC(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201781 343980356 /nfs/dbraw/zinc/98/03/56/343980356.db2.gz JTIPNFYRHRQLDM-LBPRGKRZSA-N 1 1 293.323 1.276 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830447 361749118 /nfs/dbraw/zinc/74/91/18/361749118.db2.gz JLJFOBNJTRPHHO-GFCCVEGCSA-N 1 1 269.276 1.212 20 5 CDBDMO Cc1nc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000590719077 342585811 /nfs/dbraw/zinc/58/58/11/342585811.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)CCO ZINC000593106690 342768669 /nfs/dbraw/zinc/76/86/69/342768669.db2.gz APUUHSGENDFBLB-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600712234 342243794 /nfs/dbraw/zinc/24/37/94/342243794.db2.gz VCUKMKAEWPNIKE-ZYHUDNBSSA-N 1 1 265.313 1.234 20 5 CDBDMO CNC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595286183 343023295 /nfs/dbraw/zinc/02/32/95/343023295.db2.gz DUGCDMUPSARBEA-UHFFFAOYSA-N 1 1 295.314 1.692 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000595293147 343025421 /nfs/dbraw/zinc/02/54/21/343025421.db2.gz ZKHRXJYJVBORGU-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000595293147 343025423 /nfs/dbraw/zinc/02/54/23/343025423.db2.gz ZKHRXJYJVBORGU-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO NC(=O)CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595299492 343027914 /nfs/dbraw/zinc/02/79/14/343027914.db2.gz 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CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000292215849 198205191 /nfs/dbraw/zinc/20/51/91/198205191.db2.gz OSNFSGZBZCTCDF-SECBINFHSA-N 1 1 283.284 1.706 20 5 CDBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153674240 188096705 /nfs/dbraw/zinc/09/67/05/188096705.db2.gz CLPWVGHUSHOSQE-CYBMUJFWSA-N 1 1 277.324 1.761 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000155285717 188196318 /nfs/dbraw/zinc/19/63/18/188196318.db2.gz YQWWUKPCJIVRQY-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000271900213 191399329 /nfs/dbraw/zinc/39/93/29/191399329.db2.gz ZETQKLQOJOQNJI-UHFFFAOYSA-N 1 1 289.295 1.805 20 5 CDBDMO COC(C)(C)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000558681440 356040682 /nfs/dbraw/zinc/04/06/82/356040682.db2.gz CTWCPPGOBKTWEA-UHFFFAOYSA-N 1 1 256.306 1.148 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000558990435 356067982 /nfs/dbraw/zinc/06/79/82/356067982.db2.gz YMKWNLAMRDPTQQ-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000558990435 356067989 /nfs/dbraw/zinc/06/79/89/356067989.db2.gz YMKWNLAMRDPTQQ-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C(F)F)c(F)c1 ZINC000336787259 356262298 /nfs/dbraw/zinc/26/22/98/356262298.db2.gz DQNHRIMHFMBRTF-SECBINFHSA-N 1 1 264.203 1.450 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088223 283161083 /nfs/dbraw/zinc/16/10/83/283161083.db2.gz ISYXRXXFZGIPMJ-RYUDHWBXSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000408073553 357811649 /nfs/dbraw/zinc/81/16/49/357811649.db2.gz UKCXNKOFOKBAQL-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000408073553 357811653 /nfs/dbraw/zinc/81/16/53/357811653.db2.gz UKCXNKOFOKBAQL-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074619 357813103 /nfs/dbraw/zinc/81/31/03/357813103.db2.gz XDYRQSUTZXVFFP-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074619 357813106 /nfs/dbraw/zinc/81/31/06/357813106.db2.gz XDYRQSUTZXVFFP-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341597116 358682254 /nfs/dbraw/zinc/68/22/54/358682254.db2.gz XJWGJAUPJLOILJ-VXGBXAGGSA-N 1 1 279.340 1.877 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)OC ZINC000291154852 358884840 /nfs/dbraw/zinc/88/48/40/358884840.db2.gz FBXLNRPDPKWCBI-SNVBAGLBSA-N 1 1 256.306 1.148 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162822 359050409 /nfs/dbraw/zinc/05/04/09/359050409.db2.gz XLIPCNMVONFRTM-WCQYABFASA-N 1 1 281.356 1.476 20 5 CDBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000105791043 358986881 /nfs/dbraw/zinc/98/68/81/358986881.db2.gz CFGBVQLMJRMILI-NSHDSACASA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1=CC[N@@H+](C)CC1 ZINC000357934738 359083954 /nfs/dbraw/zinc/08/39/54/359083954.db2.gz HTGPUPHCHPTBHK-JTQLQIEISA-N 1 1 292.339 1.314 20 5 CDBDMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349991 359121880 /nfs/dbraw/zinc/12/18/80/359121880.db2.gz DMJPBJSCQSFZFC-LLVKDONJSA-N 1 1 279.340 1.546 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CC=CCC1 ZINC000280106018 359356107 /nfs/dbraw/zinc/35/61/07/359356107.db2.gz BJAKHEQUIJVUKD-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297243958 200123819 /nfs/dbraw/zinc/12/38/19/200123819.db2.gz UXFZRCHEMOPAQX-UHFFFAOYSA-N 1 1 283.332 1.073 20 5 CDBDMO Cc1nc(NC[C@@H](C)[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324774 200148693 /nfs/dbraw/zinc/14/86/93/200148693.db2.gz ZUZNQQCIUGFYOV-MRVPVSSYSA-N 1 1 265.317 1.588 20 5 CDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000367598838 364000671 /nfs/dbraw/zinc/00/06/71/364000671.db2.gz ACJHFWHYXNUQAU-FFNLUWKOSA-N 1 1 292.339 1.147 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581835179 364041059 /nfs/dbraw/zinc/04/10/59/364041059.db2.gz OSHNTGVQIMOVQQ-JTQLQIEISA-N 1 1 271.342 1.395 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000268062225 364193480 /nfs/dbraw/zinc/19/34/80/364193480.db2.gz ZCVDSTCJSNKHTO-OLZOCXBDSA-N 1 1 293.367 1.795 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340925232 364265519 /nfs/dbraw/zinc/26/55/19/364265519.db2.gz IRQNCOGIVKEYMW-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340925232 364265521 /nfs/dbraw/zinc/26/55/21/364265521.db2.gz IRQNCOGIVKEYMW-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1O ZINC000270874601 366939242 /nfs/dbraw/zinc/93/92/42/366939242.db2.gz JOYFEEULAXEXEZ-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000275269274 367030148 /nfs/dbraw/zinc/03/01/48/367030148.db2.gz STUKIXOZPAZXLN-UHFFFAOYSA-N 1 1 293.323 1.182 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000272492325 367743246 /nfs/dbraw/zinc/74/32/46/367743246.db2.gz CIMOWLKHOZVOJD-UWVGGRQHSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420406033 244208628 /nfs/dbraw/zinc/20/86/28/244208628.db2.gz NIFWZHKCFSBNML-OLZOCXBDSA-N 1 1 293.367 1.890 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000330898252 203367350 /nfs/dbraw/zinc/36/73/50/203367350.db2.gz IBTXZQBZDOINAY-DTWKUNHWSA-N 1 1 266.301 1.135 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178001335 372941492 /nfs/dbraw/zinc/94/14/92/372941492.db2.gz DBHCYBULOIXZJK-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178001335 372941505 /nfs/dbraw/zinc/94/15/05/372941505.db2.gz DBHCYBULOIXZJK-LBPRGKRZSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177997010 372942064 /nfs/dbraw/zinc/94/20/64/372942064.db2.gz XHLVDAGQNHHVMH-CQSZACIVSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473658 374383379 /nfs/dbraw/zinc/38/33/79/374383379.db2.gz HKWUGOMNAGNCHL-TZMCWYRMSA-N 1 1 292.383 1.457 20 5 CDBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423530190 374388505 /nfs/dbraw/zinc/38/85/05/374388505.db2.gz WONOWGGOUKSVDD-YPMHNXCESA-N 1 1 279.340 1.542 20 5 CDBDMO CSC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313619 374581620 /nfs/dbraw/zinc/58/16/20/374581620.db2.gz XQLAPDGUUCGSNC-NSHDSACASA-N 1 1 284.385 1.866 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356904633 374604367 /nfs/dbraw/zinc/60/43/67/374604367.db2.gz QXCGOGKORAUZAO-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356904633 374604371 /nfs/dbraw/zinc/60/43/71/374604371.db2.gz QXCGOGKORAUZAO-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310372 374696103 /nfs/dbraw/zinc/69/61/03/374696103.db2.gz YZIPYLNCVBQTDV-VXGBXAGGSA-N 1 1 281.356 1.476 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154827630 374759968 /nfs/dbraw/zinc/75/99/68/374759968.db2.gz OIBOHHYLMCJLKU-ZWNOBZJWSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154827630 374759972 /nfs/dbraw/zinc/75/99/72/374759972.db2.gz OIBOHHYLMCJLKU-ZWNOBZJWSA-N 1 1 265.313 1.726 20 5 CDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508320 375456752 /nfs/dbraw/zinc/45/67/52/375456752.db2.gz HKWHNUURSBUOFY-QWHCGFSZSA-N 1 1 282.344 1.417 20 5 CDBDMO CCCN(CC[NH+](C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000344896173 375647539 /nfs/dbraw/zinc/64/75/39/375647539.db2.gz VOJYDXZIZNMYOE-UHFFFAOYSA-N 1 1 297.359 1.294 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000345012237 375714591 /nfs/dbraw/zinc/71/45/91/375714591.db2.gz PIKONXUCNVKZJA-DTWKUNHWSA-N 1 1 266.301 1.135 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000162580055 375728999 /nfs/dbraw/zinc/72/89/99/375728999.db2.gz RENJTZZNRVLVPG-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064873 375881236 /nfs/dbraw/zinc/88/12/36/375881236.db2.gz JREOIKJIRWOQNM-QWHCGFSZSA-N 1 1 293.367 1.998 20 5 CDBDMO Cc1c(C(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000162582036 375889738 /nfs/dbraw/zinc/88/97/38/375889738.db2.gz HLPGJBPXSKASGV-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)CC2)c(F)c1 ZINC000267045376 376510392 /nfs/dbraw/zinc/51/03/92/376510392.db2.gz PQIQCRKCGGTWSF-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO COc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000487034760 376569842 /nfs/dbraw/zinc/56/98/42/376569842.db2.gz FJOYSEMZAVEERQ-ONGXEEELSA-N 1 1 293.323 1.740 20 5 CDBDMO CN1CCO[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000120985008 377054672 /nfs/dbraw/zinc/05/46/72/377054672.db2.gz ISUPFCTYLUZERA-KBPBESRZSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000120985008 377054682 /nfs/dbraw/zinc/05/46/82/377054682.db2.gz ISUPFCTYLUZERA-KBPBESRZSA-N 1 1 277.324 1.110 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190814114 378583703 /nfs/dbraw/zinc/58/37/03/378583703.db2.gz NYGPFWHICODVBC-QWRGUYRKSA-N 1 1 268.313 1.158 20 5 CDBDMO COCCC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173575422 378645318 /nfs/dbraw/zinc/64/53/18/378645318.db2.gz CLTSSLYRNGNGSE-UHFFFAOYSA-N 1 1 298.339 1.951 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000450484300 251304998 /nfs/dbraw/zinc/30/49/98/251304998.db2.gz KXYGSFDANHQFFN-UHFFFAOYSA-N 1 1 293.371 1.649 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000451157124 390602017 /nfs/dbraw/zinc/60/20/17/390602017.db2.gz HBNDSZKDJUSZJI-NSHDSACASA-N 1 1 268.313 1.806 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202782 390604225 /nfs/dbraw/zinc/60/42/25/390604225.db2.gz PPNLVTVGVJDKDF-GFCCVEGCSA-N 1 1 268.317 1.150 20 5 CDBDMO CCc1nn(C)c(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188489580 390962283 /nfs/dbraw/zinc/96/22/83/390962283.db2.gz CEZLVVIUOUVEME-UHFFFAOYSA-N 1 1 297.359 1.025 20 5 CDBDMO CCc1nn(C)c(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188489580 390962284 /nfs/dbraw/zinc/96/22/84/390962284.db2.gz CEZLVVIUOUVEME-UHFFFAOYSA-N 1 1 297.359 1.025 20 5 CDBDMO Cc1cccc(N2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000365052011 390966744 /nfs/dbraw/zinc/96/67/44/390966744.db2.gz HSTASRHYMXLZEQ-ZDUSSCGKSA-N 1 1 291.351 1.814 20 5 CDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000269438290 391091454 /nfs/dbraw/zinc/09/14/54/391091454.db2.gz ORSJTDMONCRLEG-SECBINFHSA-N 1 1 295.343 1.265 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366858049 391250979 /nfs/dbraw/zinc/25/09/79/391250979.db2.gz VTMGHFJQQKRUCY-CQSZACIVSA-N 1 1 291.351 1.814 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000413326672 391199459 /nfs/dbraw/zinc/19/94/59/391199459.db2.gz LROVBCTWBYDQJJ-JTQLQIEISA-N 1 1 298.318 1.388 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358311942 391579933 /nfs/dbraw/zinc/57/99/33/391579933.db2.gz AMQVMKGKBOFWSF-RYUDHWBXSA-N 1 1 279.344 1.008 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358311942 391579937 /nfs/dbraw/zinc/57/99/37/391579937.db2.gz AMQVMKGKBOFWSF-RYUDHWBXSA-N 1 1 279.344 1.008 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266002462 391664272 /nfs/dbraw/zinc/66/42/72/391664272.db2.gz NXMDAZPKMFAGFY-UHFFFAOYSA-N 1 1 293.367 1.940 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424339 130102541 /nfs/dbraw/zinc/10/25/41/130102541.db2.gz NFUGSLPOBMHZMR-HONMWMINSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173893 130387642 /nfs/dbraw/zinc/38/76/42/130387642.db2.gz HRHIOATWPABXQK-SNVBAGLBSA-N 1 1 270.358 1.619 20 5 CDBDMO C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471781 392043935 /nfs/dbraw/zinc/04/39/35/392043935.db2.gz VWTMICHBUMYWPX-NWDGAFQWSA-N 1 1 280.324 1.819 20 5 CDBDMO [NH3+]C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237844611 131060690 /nfs/dbraw/zinc/06/06/90/131060690.db2.gz RKAISDUCCRYZPG-UHFFFAOYSA-N 1 1 289.295 1.034 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263797340 131332950 /nfs/dbraw/zinc/33/29/50/131332950.db2.gz YMMWKJBIGHSNHL-UHFFFAOYSA-N 1 1 277.324 1.809 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957028 131369021 /nfs/dbraw/zinc/36/90/21/131369021.db2.gz MMEHOIUJDRFNHO-UWVGGRQHSA-N 1 1 294.359 1.499 20 5 CDBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755035 392653637 /nfs/dbraw/zinc/65/36/37/392653637.db2.gz WJAMFSODTBSXTF-GXTWGEPZSA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000419374696 392892199 /nfs/dbraw/zinc/89/21/99/392892199.db2.gz QKRBDWSIRWMPTA-DCQANWLSSA-N 1 1 282.344 1.129 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348372667 392874442 /nfs/dbraw/zinc/87/44/42/392874442.db2.gz ZESZNJPRJBISDJ-SNVBAGLBSA-N 1 1 264.329 1.829 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707420 392942643 /nfs/dbraw/zinc/94/26/43/392942643.db2.gz XIEKZCGEJFZIQR-LBPRGKRZSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229892 393095296 /nfs/dbraw/zinc/09/52/96/393095296.db2.gz WAGYFLAWDMLZBV-UHFFFAOYSA-N 1 1 254.286 1.418 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430273231 393095392 /nfs/dbraw/zinc/09/53/92/393095392.db2.gz MHHYOVISPZXUGY-AWEZNQCLSA-N 1 1 295.314 1.692 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1ccnc1)CC2 ZINC000131682599 393065470 /nfs/dbraw/zinc/06/54/70/393065470.db2.gz LFTOXDCDVZSJPD-UHFFFAOYSA-N 1 1 272.308 1.850 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1ccnc1)CC2 ZINC000131682599 393065478 /nfs/dbraw/zinc/06/54/78/393065478.db2.gz LFTOXDCDVZSJPD-UHFFFAOYSA-N 1 1 272.308 1.850 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449699724 393139783 /nfs/dbraw/zinc/13/97/83/393139783.db2.gz PCARPUXGPLHBQH-AWEZNQCLSA-N 1 1 280.324 1.426 20 5 CDBDMO Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000278784423 393143294 /nfs/dbraw/zinc/14/32/94/393143294.db2.gz WKMIQFKZCMRLPM-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1(O)CCCCCC1 ZINC000187346415 140078379 /nfs/dbraw/zinc/07/83/79/140078379.db2.gz HXAYLYFZGLONMV-UHFFFAOYSA-N 1 1 296.371 1.808 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000251669368 140311103 /nfs/dbraw/zinc/31/11/03/140311103.db2.gz LPAUCAJUUVMWHK-GXFFZTMASA-N 1 1 250.298 1.798 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000286769888 397976693 /nfs/dbraw/zinc/97/66/93/397976693.db2.gz ZRPWMUOOLUCUKQ-DGCLKSJQSA-N 1 1 280.324 1.949 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000343381127 152147331 /nfs/dbraw/zinc/14/73/31/152147331.db2.gz CDSVDLZTJDBALT-UHFFFAOYSA-N 1 1 266.301 1.091 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915532 152351300 /nfs/dbraw/zinc/35/13/00/152351300.db2.gz GXXKTWXEEWYIBW-JTQLQIEISA-N 1 1 267.333 1.615 20 5 CDBDMO Cc1cccc(NCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC000346271256 153119179 /nfs/dbraw/zinc/11/91/79/153119179.db2.gz XZAADLJHDMNHIH-UHFFFAOYSA-N 1 1 289.295 1.468 20 5 CDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccon1 ZINC000349239875 154072156 /nfs/dbraw/zinc/07/21/56/154072156.db2.gz LRDLUQFKEAKQIO-SECBINFHSA-N 1 1 278.268 1.095 20 5 CDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000359667950 158329020 /nfs/dbraw/zinc/32/90/20/158329020.db2.gz AXEKFSPSBKMKTP-CYBMUJFWSA-N 1 1 268.313 1.158 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083889 159065391 /nfs/dbraw/zinc/06/53/91/159065391.db2.gz BVGWHCLFODJPOA-NWDGAFQWSA-N 1 1 280.324 1.534 20 5 CDBDMO C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284974793 196168649 /nfs/dbraw/zinc/16/86/49/196168649.db2.gz XUAWZHLCGZVVEO-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284974793 196168651 /nfs/dbraw/zinc/16/86/51/196168651.db2.gz XUAWZHLCGZVVEO-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](CO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284993456 196171976 /nfs/dbraw/zinc/17/19/76/196171976.db2.gz YOJXTQRAJDGYKF-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](CO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000284993456 196171978 /nfs/dbraw/zinc/17/19/78/196171978.db2.gz YOJXTQRAJDGYKF-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000489260139 414147106 /nfs/dbraw/zinc/14/71/06/414147106.db2.gz GGDQZBUAEXDLQE-HNNXBMFYSA-N 1 1 292.335 1.950 20 5 CDBDMO Cc1nn(C)c(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000040639619 174363828 /nfs/dbraw/zinc/36/38/28/174363828.db2.gz WWDLHPAFPOATCF-UHFFFAOYSA-N 1 1 264.289 1.025 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805720 262368069 /nfs/dbraw/zinc/36/80/69/262368069.db2.gz KOUHOJFGRFJYTR-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919388 279001028 /nfs/dbraw/zinc/00/10/28/279001028.db2.gz VUMZAYISLGPGEH-BDAKNGLRSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919388 279001029 /nfs/dbraw/zinc/00/10/29/279001029.db2.gz VUMZAYISLGPGEH-BDAKNGLRSA-N 1 1 254.261 1.689 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275898029 281259970 /nfs/dbraw/zinc/25/99/70/281259970.db2.gz YZPXNUJXUWYNLM-GFCCVEGCSA-N 1 1 279.340 1.406 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352563 316263422 /nfs/dbraw/zinc/26/34/22/316263422.db2.gz JFVCGJMDASAHHH-FZMZJTMJSA-N 1 1 281.356 1.558 20 5 CDBDMO Cn1c[nH+]cc1CCCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000576410507 317135233 /nfs/dbraw/zinc/13/52/33/317135233.db2.gz LEVRYABCEUUWQZ-UHFFFAOYSA-N 1 1 294.340 1.256 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC000227120341 1160275779 /nfs/dbraw/zinc/27/57/79/1160275779.db2.gz MBQWXACXVLBVOJ-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO CC[C@H]1[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676232 523435399 /nfs/dbraw/zinc/43/53/99/523435399.db2.gz JQRLGMKOEUQBHK-PWSUYJOCSA-N 1 1 252.318 1.912 20 5 CDBDMO Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000068806814 525275258 /nfs/dbraw/zinc/27/52/58/525275258.db2.gz QTUJZPODLLLJSM-CYBMUJFWSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000068806814 525275267 /nfs/dbraw/zinc/27/52/67/525275267.db2.gz QTUJZPODLLLJSM-CYBMUJFWSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000068806814 525275272 /nfs/dbraw/zinc/27/52/72/525275272.db2.gz QTUJZPODLLLJSM-CYBMUJFWSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1ccn(CC[C@@H]2CCCC[N@@H+]2C)c(=O)c1[N+](=O)[O-] ZINC000340696815 525600606 /nfs/dbraw/zinc/60/06/06/525600606.db2.gz WLMFVCMEFWAZMZ-LBPRGKRZSA-N 1 1 279.340 1.939 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000768528306 576293531 /nfs/dbraw/zinc/29/35/31/576293531.db2.gz XMKOYOANBBOYAS-WDEREUQCSA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000768841285 576312521 /nfs/dbraw/zinc/31/25/21/576312521.db2.gz JUSASUAOVAAFJX-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000768841285 576312522 /nfs/dbraw/zinc/31/25/22/576312522.db2.gz JUSASUAOVAAFJX-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000739867366 576391512 /nfs/dbraw/zinc/39/15/12/576391512.db2.gz BGDYXANWHWKYNB-LLVKDONJSA-N 1 1 290.323 1.870 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1Cc1cc[nH+]c(N(C)C)c1 ZINC000762475942 576647371 /nfs/dbraw/zinc/64/73/71/576647371.db2.gz VXKYOIIEDNAYEI-UHFFFAOYSA-N 1 1 261.285 1.609 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])cnn1C ZINC000891971951 617911167 /nfs/dbraw/zinc/91/11/67/617911167.db2.gz WMBSUZRRQZCXBI-MNOVXSKESA-N 1 1 281.360 1.861 20 5 CDBDMO COc1c(O)ccc(C[NH2+]C[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000893343803 617609754 /nfs/dbraw/zinc/60/97/54/617609754.db2.gz KDQGBMUZOUVEDZ-VIFPVBQESA-N 1 1 283.328 1.349 20 5 CDBDMO COc1c(O)ccc(CN[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892938659 617932111 /nfs/dbraw/zinc/93/21/11/617932111.db2.gz GVZDXFIOWDXQMV-SNVBAGLBSA-N 1 1 281.312 1.103 20 5 CDBDMO COc1c(O)ccc(CN[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892938659 617932119 /nfs/dbraw/zinc/93/21/19/617932119.db2.gz GVZDXFIOWDXQMV-SNVBAGLBSA-N 1 1 281.312 1.103 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893471906 617963886 /nfs/dbraw/zinc/96/38/86/617963886.db2.gz JDVBCURAYWNLEJ-UWVGGRQHSA-N 1 1 296.323 1.512 20 5 CDBDMO C[NH+]1CCN(Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000901399311 624220283 /nfs/dbraw/zinc/22/02/83/624220283.db2.gz RGMHEPYRPAREOX-UHFFFAOYSA-N 1 1 292.295 1.590 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNCC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133063 626647403 /nfs/dbraw/zinc/64/74/03/626647403.db2.gz OTWUDNPJIBABAE-WCQYABFASA-N 1 1 283.397 1.997 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000920599255 632809907 /nfs/dbraw/zinc/80/99/07/632809907.db2.gz OQYTWYZSSFRBCM-LBPRGKRZSA-N 1 1 292.339 1.141 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921681489 633161587 /nfs/dbraw/zinc/16/15/87/633161587.db2.gz XDMMSXKCNDKYSL-CYBMUJFWSA-N 1 1 292.339 1.141 20 5 CDBDMO O=C1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030335 1161998487 /nfs/dbraw/zinc/99/84/87/1161998487.db2.gz YWXRIJXKUVCSCI-GXTWGEPZSA-N 1 1 295.383 1.519 20 5 CDBDMO O=C1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030335 1161998489 /nfs/dbraw/zinc/99/84/89/1161998489.db2.gz YWXRIJXKUVCSCI-GXTWGEPZSA-N 1 1 295.383 1.519 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696076 1166397343 /nfs/dbraw/zinc/39/73/43/1166397343.db2.gz HOBYNNVRHQCNTF-RWMBFGLXSA-N 1 1 294.351 1.497 20 5 CDBDMO Cc1conc1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579832838 1172275903 /nfs/dbraw/zinc/27/59/03/1172275903.db2.gz YOYNFSMGPQFPCF-ZDUSSCGKSA-N 1 1 290.279 1.704 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOC2)c(Cl)c1 ZINC000184201539 1182262699 /nfs/dbraw/zinc/26/26/99/1182262699.db2.gz TWPIIJOQMYWBAZ-LBPRGKRZSA-N 1 1 286.715 1.489 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001164667992 719372674 /nfs/dbraw/zinc/37/26/74/719372674.db2.gz MKTYNTONIGOSQD-UWVGGRQHSA-N 1 1 298.730 1.162 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1F ZINC000933867097 735308222 /nfs/dbraw/zinc/30/82/22/735308222.db2.gz GXALXOOQVJOGHH-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121183008 735540161 /nfs/dbraw/zinc/54/01/61/735540161.db2.gz RNWWWBOYRHELMM-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121183008 735540171 /nfs/dbraw/zinc/54/01/71/735540171.db2.gz RNWWWBOYRHELMM-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO COC(=O)C[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000851928676 735780094 /nfs/dbraw/zinc/78/00/94/735780094.db2.gz VXCPWAFJDIJNRG-SECBINFHSA-N 1 1 283.284 1.323 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839455338 735811205 /nfs/dbraw/zinc/81/12/05/735811205.db2.gz PHMXISIWXYKVLN-BFHYXJOUSA-N 1 1 289.335 1.042 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839455338 735811209 /nfs/dbraw/zinc/81/12/09/735811209.db2.gz PHMXISIWXYKVLN-BFHYXJOUSA-N 1 1 289.335 1.042 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839455338 735811210 /nfs/dbraw/zinc/81/12/10/735811210.db2.gz PHMXISIWXYKVLN-BFHYXJOUSA-N 1 1 289.335 1.042 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000251777470 735870289 /nfs/dbraw/zinc/87/02/89/735870289.db2.gz RISTWPCAPUFTJM-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000251777470 735870293 /nfs/dbraw/zinc/87/02/93/735870293.db2.gz RISTWPCAPUFTJM-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000776598601 736343285 /nfs/dbraw/zinc/34/32/85/736343285.db2.gz SLTYUPDONAUECV-AWEZNQCLSA-N 1 1 292.335 1.883 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000776598601 736343290 /nfs/dbraw/zinc/34/32/90/736343290.db2.gz SLTYUPDONAUECV-AWEZNQCLSA-N 1 1 292.335 1.883 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866886 733195675 /nfs/dbraw/zinc/19/56/75/733195675.db2.gz BPAYIKOKEPOYDJ-VXGBXAGGSA-N 1 1 280.328 1.416 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866886 733195676 /nfs/dbraw/zinc/19/56/76/733195676.db2.gz BPAYIKOKEPOYDJ-VXGBXAGGSA-N 1 1 280.328 1.416 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+](C)C1 ZINC000850432098 733544032 /nfs/dbraw/zinc/54/40/32/733544032.db2.gz QZTWQFOYRXSVGM-WDEREUQCSA-N 1 1 279.340 1.958 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845739341 733825602 /nfs/dbraw/zinc/82/56/02/733825602.db2.gz RUIUGGQOSNSMEW-JTQLQIEISA-N 1 1 295.339 1.963 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000778118529 733828491 /nfs/dbraw/zinc/82/84/91/733828491.db2.gz WPUHJZJVTCHBDM-BXKDBHETSA-N 1 1 291.311 1.108 20 5 CDBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000840358409 733868995 /nfs/dbraw/zinc/86/89/95/733868995.db2.gz AGDRGNNJPKKIIL-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO COC(=O)[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]1C ZINC000851976107 733921801 /nfs/dbraw/zinc/92/18/01/733921801.db2.gz WWSVIMLLXQAFRM-BDAKNGLRSA-N 1 1 283.284 1.275 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]1C ZINC000851976107 733921818 /nfs/dbraw/zinc/92/18/18/733921818.db2.gz WWSVIMLLXQAFRM-BDAKNGLRSA-N 1 1 283.284 1.275 20 5 CDBDMO COCC1=CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775826833 733953145 /nfs/dbraw/zinc/95/31/45/733953145.db2.gz NEKBQUYYCKPGCO-HNNXBMFYSA-N 1 1 292.335 1.907 20 5 CDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645268 734035036 /nfs/dbraw/zinc/03/50/36/734035036.db2.gz QQAXSSLOBMGPKJ-AAVRWANBSA-N 1 1 295.383 1.469 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191465 734040838 /nfs/dbraw/zinc/04/08/38/734040838.db2.gz LMPWQVKYYPZGHG-GFCCVEGCSA-N 1 1 287.323 1.676 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582226 734240759 /nfs/dbraw/zinc/24/07/59/734240759.db2.gz MQTBNZMVRAEEBA-CHWSQXEVSA-N 1 1 266.297 1.349 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880299819 734271724 /nfs/dbraw/zinc/27/17/24/734271724.db2.gz YBJWMKFJJXBESF-NWDGAFQWSA-N 1 1 298.314 1.626 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000791051996 734344389 /nfs/dbraw/zinc/34/43/89/734344389.db2.gz JCEYQYMOANITGT-LBPRGKRZSA-N 1 1 278.308 1.871 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000791051996 734344393 /nfs/dbraw/zinc/34/43/93/734344393.db2.gz JCEYQYMOANITGT-LBPRGKRZSA-N 1 1 278.308 1.871 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852636156 734367796 /nfs/dbraw/zinc/36/77/96/734367796.db2.gz OYEZBHOWZXNKDL-SGMGOOAPSA-N 1 1 262.309 1.970 20 5 CDBDMO O=C1NCCC12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886313086 734580452 /nfs/dbraw/zinc/58/04/52/734580452.db2.gz VKHZWCJUUQZEEQ-UHFFFAOYSA-N 1 1 290.323 1.092 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822235325 734634645 /nfs/dbraw/zinc/63/46/45/734634645.db2.gz CNPNFRXMEABLKE-NSHDSACASA-N 1 1 271.361 1.422 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774474 734797838 /nfs/dbraw/zinc/79/78/38/734797838.db2.gz DWTAOAYXUTUESG-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776596479 734827078 /nfs/dbraw/zinc/82/70/78/734827078.db2.gz FCCCCJNHJNSEDF-HONMWMINSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000847107751 735047715 /nfs/dbraw/zinc/04/77/15/735047715.db2.gz VOUVGYGKZYFDEU-SECBINFHSA-N 1 1 295.295 1.848 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000847107751 735047724 /nfs/dbraw/zinc/04/77/24/735047724.db2.gz VOUVGYGKZYFDEU-SECBINFHSA-N 1 1 295.295 1.848 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886821921 735095937 /nfs/dbraw/zinc/09/59/37/735095937.db2.gz JSYXBIXPLOMFJX-DGCLKSJQSA-N 1 1 280.328 1.292 20 5 CDBDMO Cc1cc(C(=O)NCC[N@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000104882612 735180477 /nfs/dbraw/zinc/18/04/77/735180477.db2.gz SSFUQAZQSJTJNG-UHFFFAOYSA-N 1 1 294.355 1.555 20 5 CDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000886591108 735263398 /nfs/dbraw/zinc/26/33/98/735263398.db2.gz MAOZFVHHTQXXEH-LLVKDONJSA-N 1 1 294.355 1.725 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000886591108 735263402 /nfs/dbraw/zinc/26/34/02/735263402.db2.gz MAOZFVHHTQXXEH-LLVKDONJSA-N 1 1 294.355 1.725 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823997351 735989187 /nfs/dbraw/zinc/98/91/87/735989187.db2.gz BPNRTEWUWPHLFS-SNVBAGLBSA-N 1 1 293.327 1.393 20 5 CDBDMO C[C@H]1NCCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517101 736129387 /nfs/dbraw/zinc/12/93/87/736129387.db2.gz YVVBQPJNJXEWRL-DGCLKSJQSA-N 1 1 263.341 1.867 20 5 CDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886340126 736316659 /nfs/dbraw/zinc/31/66/59/736316659.db2.gz BIINKAJLJKNZIO-PHIMTYICSA-N 1 1 275.308 1.875 20 5 CDBDMO COc1cc(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162341506 922355764 /nfs/dbraw/zinc/35/57/64/922355764.db2.gz MFHAOBCCXAGZOE-ZDUSSCGKSA-N 1 1 280.328 1.895 20 5 CDBDMO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195760733 924705087 /nfs/dbraw/zinc/70/50/87/924705087.db2.gz DDFRQIVPQCEIBM-JHZNUDOXSA-N 1 1 295.383 1.542 20 5 CDBDMO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195760733 924705089 /nfs/dbraw/zinc/70/50/89/924705089.db2.gz DDFRQIVPQCEIBM-JHZNUDOXSA-N 1 1 295.383 1.542 20 5 CDBDMO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195760733 924705098 /nfs/dbraw/zinc/70/50/98/924705098.db2.gz DDFRQIVPQCEIBM-JHZNUDOXSA-N 1 1 295.383 1.542 20 5 CDBDMO CCC(CC)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001169006475 927610976 /nfs/dbraw/zinc/61/09/76/927610976.db2.gz XWUBGMQVAIJCEG-QWRGUYRKSA-N 1 1 272.345 1.753 20 5 CDBDMO CC(C)(C)OC(=O)NC1C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007304 927611105 /nfs/dbraw/zinc/61/11/05/927611105.db2.gz MLGDHNMGUJGRHN-PWSUYJOCSA-N 1 1 299.371 1.641 20 5 CDBDMO C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035361 927644404 /nfs/dbraw/zinc/64/44/04/927644404.db2.gz KPSUNJGDKBAGPC-AGIUHOORSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035907 927644994 /nfs/dbraw/zinc/64/49/94/927644994.db2.gz DVAARPRTYWMEME-YFKTTZPYSA-N 1 1 290.310 1.645 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039888 927653583 /nfs/dbraw/zinc/65/35/83/927653583.db2.gz VJQGJFYWLCCTAO-UTUOFQBUSA-N 1 1 270.329 1.459 20 5 CDBDMO CC[N@@H+](CCN1CCOCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039885 927654917 /nfs/dbraw/zinc/65/49/17/927654917.db2.gz VIIGUQZHZDPZDO-ZIAGYGMSSA-N 1 1 285.388 1.086 20 5 CDBDMO C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019061 927661140 /nfs/dbraw/zinc/66/11/40/927661140.db2.gz GNQJTLZKSCWAPS-RFQIPJPRSA-N 1 1 267.373 1.315 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019061 927661150 /nfs/dbraw/zinc/66/11/50/927661150.db2.gz GNQJTLZKSCWAPS-RFQIPJPRSA-N 1 1 267.373 1.315 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026566 927666741 /nfs/dbraw/zinc/66/67/41/927666741.db2.gz MTCYMIFCRKFXBJ-STQMWFEESA-N 1 1 268.357 1.934 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702883 927851064 /nfs/dbraw/zinc/85/10/64/927851064.db2.gz KHXFAXXLPSCICN-KCPJHIHWSA-N 1 1 294.351 1.579 20 5 CDBDMO Cc1c(N[C@H](N)CCC[NH3+])cc(F)cc1[N+](=O)[O-] ZINC001170899662 930699185 /nfs/dbraw/zinc/69/91/85/930699185.db2.gz KUEUJDVFSNKHIJ-NSHDSACASA-N 1 1 256.281 1.478 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159784015 930845008 /nfs/dbraw/zinc/84/50/08/930845008.db2.gz GJXMCSAJEFFJEX-ZETCQYMHSA-N 1 1 294.142 1.732 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c(C)c1[N+](=O)[O-] ZINC000155379740 934225850 /nfs/dbraw/zinc/22/58/50/934225850.db2.gz SIGKULLNXUCEJR-BXKDBHETSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(C)c1[N+](=O)[O-] ZINC000155379740 934225857 /nfs/dbraw/zinc/22/58/57/934225857.db2.gz SIGKULLNXUCEJR-BXKDBHETSA-N 1 1 282.344 1.601 20 5 CDBDMO CN(C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001120466928 937800756 /nfs/dbraw/zinc/80/07/56/937800756.db2.gz GJRUVMXMEWUTLW-UHFFFAOYSA-N 1 1 294.355 1.465 20 5 CDBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488457 937802883 /nfs/dbraw/zinc/80/28/83/937802883.db2.gz BLHNWOZNLFEMOY-SMDDNHRTSA-N 1 1 281.356 1.416 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157264548 938471908 /nfs/dbraw/zinc/47/19/08/938471908.db2.gz FGDGLYUIUAPPHR-PWSUYJOCSA-N 1 1 277.328 1.224 20 5 CDBDMO C[NH+](C)/C=C/c1cc(NCC2CC(=O)C2)ncc1[N+](=O)[O-] ZINC001157608933 938519145 /nfs/dbraw/zinc/51/91/45/938519145.db2.gz HYMSWBULERDBLW-ONEGZZNKSA-N 1 1 290.323 1.913 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001163776411 939329114 /nfs/dbraw/zinc/32/91/14/939329114.db2.gz YFFIDUNWHXHJRL-UHFFFAOYSA-N 1 1 265.317 1.104 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001165386127 939555942 /nfs/dbraw/zinc/55/59/42/939555942.db2.gz YTJKVKSEOPOQMK-UHFFFAOYSA-N 1 1 274.284 1.097 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)n1 ZINC001218285150 941051533 /nfs/dbraw/zinc/05/15/33/941051533.db2.gz HEWMHHGVJLHCEG-MRVPVSSYSA-N 1 1 253.258 1.135 20 5 CDBDMO CC[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224115925 941722333 /nfs/dbraw/zinc/72/23/33/941722333.db2.gz WSNSESVXKVGWLY-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491738 941869667 /nfs/dbraw/zinc/86/96/67/941869667.db2.gz SJNBVFYXWUUVQZ-SECBINFHSA-O 1 1 255.294 1.774 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225628426 941890576 /nfs/dbraw/zinc/89/05/76/941890576.db2.gz MOAPEPCAIADBDL-MKPLZMMCSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225628426 941890579 /nfs/dbraw/zinc/89/05/79/941890579.db2.gz MOAPEPCAIADBDL-MKPLZMMCSA-N 1 1 277.280 1.173 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1n[nH]c(=O)cc1Br ZINC001226851431 942085067 /nfs/dbraw/zinc/08/50/67/942085067.db2.gz ZQGSONXWZUJKIK-ZETCQYMHSA-O 1 1 291.169 1.418 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227480380 942179892 /nfs/dbraw/zinc/17/98/92/942179892.db2.gz MMAYPYQOMHUIQX-BHYNMZESSA-N 1 1 276.292 1.778 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227480380 942179893 /nfs/dbraw/zinc/17/98/93/942179893.db2.gz MMAYPYQOMHUIQX-BHYNMZESSA-N 1 1 276.292 1.778 20 5 CDBDMO COCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001230944123 942737928 /nfs/dbraw/zinc/73/79/28/942737928.db2.gz KOZQVRHOXLTDFU-UHFFFAOYSA-N 1 1 295.339 1.179 20 5 CDBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c2c1cccc2F ZINC001233612697 943625823 /nfs/dbraw/zinc/62/58/23/943625823.db2.gz UPOBSLJAVIVTMM-SECBINFHSA-N 1 1 296.322 1.065 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233860508 943676160 /nfs/dbraw/zinc/67/61/60/943676160.db2.gz ANEFOPSHYLKFBH-JTQLQIEISA-N 1 1 295.295 1.249 20 5 CDBDMO [NH3+][C@@H]1C[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467934 947452074 /nfs/dbraw/zinc/45/20/74/947452074.db2.gz GGSWDIGTIFAAPO-ZIAGYGMSSA-N 1 1 276.340 1.253 20 5 CDBDMO CCNC(=O)C[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551037 947521815 /nfs/dbraw/zinc/52/18/15/947521815.db2.gz WCJGENMOAKDBIQ-LLVKDONJSA-N 1 1 279.340 1.594 20 5 CDBDMO CCNC(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551037 947521825 /nfs/dbraw/zinc/52/18/25/947521825.db2.gz WCJGENMOAKDBIQ-LLVKDONJSA-N 1 1 279.340 1.594 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254563269 947526257 /nfs/dbraw/zinc/52/62/57/947526257.db2.gz VTUPPYISDCZZGD-NSHDSACASA-N 1 1 279.340 1.594 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001254596748 947547399 /nfs/dbraw/zinc/54/73/99/947547399.db2.gz FWRLTOANVOILQO-RWMBFGLXSA-N 1 1 266.272 1.077 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001254596748 947547412 /nfs/dbraw/zinc/54/74/12/947547412.db2.gz FWRLTOANVOILQO-RWMBFGLXSA-N 1 1 266.272 1.077 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599937 947550002 /nfs/dbraw/zinc/55/00/02/947550002.db2.gz MZODYEBBAHMOLM-ZIAGYGMSSA-N 1 1 289.335 1.402 20 5 CDBDMO CN1CC2(C1)CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254607670 947552521 /nfs/dbraw/zinc/55/25/21/947552521.db2.gz LXJWKAAGFGHBNW-OAHLLOKOSA-N 1 1 287.363 1.700 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001254603327 947553184 /nfs/dbraw/zinc/55/31/84/947553184.db2.gz MNMRBLACUMEVHM-NILFDRSVSA-N 1 1 274.320 1.783 20 5 CDBDMO C[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602782 947554517 /nfs/dbraw/zinc/55/45/17/947554517.db2.gz ITJIBCHPCNAARM-ILXRZTDVSA-N 1 1 273.336 1.450 20 5 CDBDMO CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602782 947554527 /nfs/dbraw/zinc/55/45/27/947554527.db2.gz ITJIBCHPCNAARM-ILXRZTDVSA-N 1 1 273.336 1.450 20 5 CDBDMO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602782 947554538 /nfs/dbraw/zinc/55/45/38/947554538.db2.gz ITJIBCHPCNAARM-ILXRZTDVSA-N 1 1 273.336 1.450 20 5 CDBDMO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315892 948102754 /nfs/dbraw/zinc/10/27/54/948102754.db2.gz XGXNQTDOJNGGKX-JQWIXIFHSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[C@H](N)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315892 948102758 /nfs/dbraw/zinc/10/27/58/948102758.db2.gz XGXNQTDOJNGGKX-JQWIXIFHSA-N 1 1 281.356 1.861 20 5 CDBDMO CC(C)[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247418512 948628126 /nfs/dbraw/zinc/62/81/26/948628126.db2.gz WTUFBJDOBAFMRV-QMMMGPOBSA-N 1 1 281.247 1.835 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[N+](=O)[O-] ZINC001334035858 958786449 /nfs/dbraw/zinc/78/64/49/958786449.db2.gz WKIUEPBOYISCQV-NEPJUHHUSA-N 1 1 299.371 1.737 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[N+](=O)[O-] ZINC001334035858 958786466 /nfs/dbraw/zinc/78/64/66/958786466.db2.gz WKIUEPBOYISCQV-NEPJUHHUSA-N 1 1 299.371 1.737 20 5 CDBDMO C[C@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001339815412 962555961 /nfs/dbraw/zinc/55/59/61/962555961.db2.gz MNANUWHJJVYHFQ-GXSJLCMTSA-N 1 1 297.334 1.175 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000590719106 342585815 /nfs/dbraw/zinc/58/58/15/342585815.db2.gz RHZVRSKDYGPDRY-BDAKNGLRSA-N 1 1 253.327 1.797 20 5 CDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000609269508 342099105 /nfs/dbraw/zinc/09/91/05/342099105.db2.gz RYAVDSDOCWBAEQ-SNVBAGLBSA-N 1 1 297.311 1.028 20 5 CDBDMO O=[N+]([O-])c1cc(O)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356869 342688414 /nfs/dbraw/zinc/68/84/14/342688414.db2.gz IYSLLEJAJTYANK-JTQLQIEISA-N 1 1 276.252 1.775 20 5 CDBDMO Cc1ccc(OCc2noc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC000311262577 342148211 /nfs/dbraw/zinc/14/82/11/342148211.db2.gz YRSRVBGIFKLIPC-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000593109023 342769318 /nfs/dbraw/zinc/76/93/18/342769318.db2.gz GJJQQTQFYOQIEE-LLVKDONJSA-N 1 1 252.314 1.840 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714954 342946677 /nfs/dbraw/zinc/94/66/77/342946677.db2.gz VAASIEGSDHPPNG-DRZSPHRISA-N 1 1 280.328 1.027 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000595045635 342998865 /nfs/dbraw/zinc/99/88/65/342998865.db2.gz OKQWUFAISVANGX-UWVGGRQHSA-N 1 1 295.339 1.731 20 5 CDBDMO Cc1noc(C[NH2+][C@@H](C)Cn2cccn2)c1[N+](=O)[O-] ZINC000595309807 343032922 /nfs/dbraw/zinc/03/29/22/343032922.db2.gz BSQBAFLLHMWGHJ-QMMMGPOBSA-N 1 1 265.273 1.266 20 5 CDBDMO COC1(CO)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595462720 343070985 /nfs/dbraw/zinc/07/09/85/343070985.db2.gz WRJQMQIBZGEJFC-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451934543 362048344 /nfs/dbraw/zinc/04/83/44/362048344.db2.gz VGYXNVPEFANPQV-HNNXBMFYSA-N 1 1 294.351 1.468 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595767641 343146193 /nfs/dbraw/zinc/14/61/93/343146193.db2.gz ZQJOBZHBKOVNOL-BXKDBHETSA-N 1 1 293.323 1.039 20 5 CDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678077 343129960 /nfs/dbraw/zinc/12/99/60/343129960.db2.gz QFKULKBFIDOATH-VXGBXAGGSA-N 1 1 282.344 1.274 20 5 CDBDMO O=c1[nH]ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076861 343226755 /nfs/dbraw/zinc/22/67/55/343226755.db2.gz QTEVZTYUYQSUBV-ONGXEEELSA-N 1 1 278.312 1.734 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596230451 343273315 /nfs/dbraw/zinc/27/33/15/343273315.db2.gz LAZOFMSWDPELHT-SNVBAGLBSA-N 1 1 292.339 1.224 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482707 343328023 /nfs/dbraw/zinc/32/80/23/343328023.db2.gz UNDSARYLPNWCLR-VIFPVBQESA-N 1 1 266.301 1.137 20 5 CDBDMO CCc1nn(C)c(N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000092830482 342419456 /nfs/dbraw/zinc/41/94/56/342419456.db2.gz PWHMEASMIQWNFP-LLVKDONJSA-N 1 1 295.387 1.669 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000535741878 282276626 /nfs/dbraw/zinc/27/66/26/282276626.db2.gz NHNHFYLZBFIRIK-MNOVXSKESA-N 1 1 294.355 1.488 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598341451 343770197 /nfs/dbraw/zinc/77/01/97/343770197.db2.gz BTTKPOQOTLURJJ-VIFPVBQESA-N 1 1 266.301 1.137 20 5 CDBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176353 343966150 /nfs/dbraw/zinc/96/61/50/343966150.db2.gz RJKAVNHOVVWTMP-CYBMUJFWSA-N 1 1 295.339 1.220 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C1CC1 ZINC000602773756 344577656 /nfs/dbraw/zinc/57/76/56/344577656.db2.gz YIBMCJCZDICQJO-LBPRGKRZSA-N 1 1 264.329 1.974 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC2(CCC2)C1 ZINC000602807586 344615834 /nfs/dbraw/zinc/61/58/34/344615834.db2.gz HYGICIPFHLAPIB-UHFFFAOYSA-N 1 1 294.355 1.602 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000602810897 344603086 /nfs/dbraw/zinc/60/30/86/344603086.db2.gz IMRPCQZNATXJGM-NWDGAFQWSA-N 1 1 264.329 1.974 20 5 CDBDMO Cc1nn(CCn2cc[nH+]c2C)c2ncc([N+](=O)[O-])cc12 ZINC000603329573 344776806 /nfs/dbraw/zinc/77/68/06/344776806.db2.gz WUYJLCDSUNKEJY-UHFFFAOYSA-N 1 1 286.295 1.853 20 5 CDBDMO NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000047274186 345747324 /nfs/dbraw/zinc/74/73/24/345747324.db2.gz BQVOARRTRFGGJJ-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000047274186 345747328 /nfs/dbraw/zinc/74/73/28/345747328.db2.gz BQVOARRTRFGGJJ-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@H]21 ZINC000610808009 346444016 /nfs/dbraw/zinc/44/40/16/346444016.db2.gz OLGILFAOPVFTHQ-DGCLKSJQSA-N 1 1 276.340 1.910 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000611009436 346574651 /nfs/dbraw/zinc/57/46/51/346574651.db2.gz YYHIXEIZHBHRNW-UHFFFAOYSA-N 1 1 272.308 1.919 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611009436 346574654 /nfs/dbraw/zinc/57/46/54/346574654.db2.gz YYHIXEIZHBHRNW-UHFFFAOYSA-N 1 1 272.308 1.919 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000611009436 346574656 /nfs/dbraw/zinc/57/46/56/346574656.db2.gz YYHIXEIZHBHRNW-UHFFFAOYSA-N 1 1 272.308 1.919 20 5 CDBDMO CC[N@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611084626 346603659 /nfs/dbraw/zinc/60/36/59/346603659.db2.gz HUPUCKZUJWNTQQ-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240462 348814950 /nfs/dbraw/zinc/81/49/50/348814950.db2.gz HMIOTLKDPACFRN-GHMZBOCLSA-N 1 1 294.355 1.773 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268297 186383618 /nfs/dbraw/zinc/38/36/18/186383618.db2.gz QDKXCFXTZYEZJP-LBPRGKRZSA-N 1 1 277.324 1.553 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364505767 363034403 /nfs/dbraw/zinc/03/44/03/363034403.db2.gz FHECFZVAYGPFQZ-ZDUSSCGKSA-N 1 1 287.323 1.942 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288114 198231352 /nfs/dbraw/zinc/23/13/52/198231352.db2.gz CEUGIFMTPSLTLW-LLVKDONJSA-N 1 1 284.385 1.866 20 5 CDBDMO COc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000279940838 363356374 /nfs/dbraw/zinc/35/63/74/363356374.db2.gz XFAWDPLSUGQZCW-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000279940838 363356381 /nfs/dbraw/zinc/35/63/81/363356381.db2.gz XFAWDPLSUGQZCW-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264468305 357330640 /nfs/dbraw/zinc/33/06/40/357330640.db2.gz FVFCUSXODHTNJN-GFCCVEGCSA-N 1 1 293.323 1.045 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)CN1C ZINC000408069224 357804864 /nfs/dbraw/zinc/80/48/64/357804864.db2.gz KJLMXLDEWHORGH-UWVGGRQHSA-N 1 1 293.323 1.465 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074624 357813150 /nfs/dbraw/zinc/81/31/50/357813150.db2.gz XDYRQSUTZXVFFP-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074624 357813153 /nfs/dbraw/zinc/81/31/53/357813153.db2.gz XDYRQSUTZXVFFP-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162684 358224497 /nfs/dbraw/zinc/22/44/97/358224497.db2.gz YMSIAQOBZOAHCO-NXEZZACHSA-N 1 1 293.323 1.465 20 5 CDBDMO Cc1nc(NCC2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000294873419 199225338 /nfs/dbraw/zinc/22/53/38/199225338.db2.gz DXTQTJYFIBIZBJ-UHFFFAOYSA-N 1 1 263.301 1.367 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406197 358636469 /nfs/dbraw/zinc/63/64/69/358636469.db2.gz DLCLFBNZSRYRTA-NSHDSACASA-N 1 1 252.314 1.840 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832159 358834728 /nfs/dbraw/zinc/83/47/28/358834728.db2.gz PKNWJLLCEFBBAW-ZYHUDNBSSA-N 1 1 250.298 1.798 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291060300 358843152 /nfs/dbraw/zinc/84/31/52/358843152.db2.gz XXJDZJQLIQKCNM-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000104114126 358947305 /nfs/dbraw/zinc/94/73/05/358947305.db2.gz ZYGKTUXPZQEZBR-JTQLQIEISA-N 1 1 278.312 1.668 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](F)C1 ZINC000451199387 359040170 /nfs/dbraw/zinc/04/01/70/359040170.db2.gz RCZUHSFIIQIPOG-WDEREUQCSA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](F)C1 ZINC000451199387 359040173 /nfs/dbraw/zinc/04/01/73/359040173.db2.gz RCZUHSFIIQIPOG-WDEREUQCSA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@H]1CCOC1)CC2 ZINC000450691822 358980780 /nfs/dbraw/zinc/98/07/80/358980780.db2.gz JPYKSTRMGVZZBU-NSHDSACASA-N 1 1 277.324 1.775 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1 ZINC000451697711 359069360 /nfs/dbraw/zinc/06/93/60/359069360.db2.gz RIPOPFDWQVFERS-UPJWGTAASA-N 1 1 294.355 1.274 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342578905 359119287 /nfs/dbraw/zinc/11/92/87/359119287.db2.gz WORJGTXTPMOHNT-JTQLQIEISA-N 1 1 282.344 1.773 20 5 CDBDMO CC[N@@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049937542 359523228 /nfs/dbraw/zinc/52/32/28/359523228.db2.gz UUOKBCHUAMVBBQ-UHFFFAOYSA-N 1 1 266.301 1.057 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150131 359543649 /nfs/dbraw/zinc/54/36/49/359543649.db2.gz NHJIPQJDRHWKTP-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000297015775 200062613 /nfs/dbraw/zinc/06/26/13/200062613.db2.gz HVFVCUJYYZIVKS-UHFFFAOYSA-N 1 1 293.323 1.426 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270240123 359935441 /nfs/dbraw/zinc/93/54/41/359935441.db2.gz HPZLDYPBTIZHCH-UHFFFAOYSA-N 1 1 290.245 1.986 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270240123 359935445 /nfs/dbraw/zinc/93/54/45/359935445.db2.gz HPZLDYPBTIZHCH-UHFFFAOYSA-N 1 1 290.245 1.986 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000162569078 360233518 /nfs/dbraw/zinc/23/35/18/360233518.db2.gz ORJBCGADEKTZPX-ZZXKWVIFSA-N 1 1 285.250 1.318 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177985133 189083772 /nfs/dbraw/zinc/08/37/72/189083772.db2.gz GCWCJUWEPHSNDP-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000177985133 189083773 /nfs/dbraw/zinc/08/37/73/189083773.db2.gz GCWCJUWEPHSNDP-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000178013250 189085778 /nfs/dbraw/zinc/08/57/78/189085778.db2.gz MTZHGOQGAVEWSM-QMTHXVAHSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(O)C1 ZINC000178013250 189085779 /nfs/dbraw/zinc/08/57/79/189085779.db2.gz MTZHGOQGAVEWSM-QMTHXVAHSA-N 1 1 293.323 1.379 20 5 CDBDMO CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351499723 360694297 /nfs/dbraw/zinc/69/42/97/360694297.db2.gz PKESABGEFSKFES-UHFFFAOYSA-N 1 1 295.314 1.441 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000449572195 361135802 /nfs/dbraw/zinc/13/58/02/361135802.db2.gz IWIPOWDATLLOIK-ZDUSSCGKSA-N 1 1 299.277 1.508 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306828 361285492 /nfs/dbraw/zinc/28/54/92/361285492.db2.gz AWRLCGGKMICFLH-NSHDSACASA-N 1 1 277.324 1.601 20 5 CDBDMO Nc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367260742 361255739 /nfs/dbraw/zinc/25/57/39/361255739.db2.gz RPQWQQNQODZWIW-GFCCVEGCSA-N 1 1 292.339 1.088 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301421801 201003057 /nfs/dbraw/zinc/00/30/57/201003057.db2.gz FHPXNMJZCVJART-NSHDSACASA-N 1 1 281.360 1.415 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906180 363789032 /nfs/dbraw/zinc/78/90/32/363789032.db2.gz ARHWAVNSJFJDKR-LDYMZIIASA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000340906180 363789036 /nfs/dbraw/zinc/78/90/36/363789036.db2.gz ARHWAVNSJFJDKR-LDYMZIIASA-N 1 1 254.261 1.689 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000582121966 364069934 /nfs/dbraw/zinc/06/99/34/364069934.db2.gz RLZACQZBFBFUKE-JTQLQIEISA-N 1 1 283.303 1.770 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000353486217 368642726 /nfs/dbraw/zinc/64/27/26/368642726.db2.gz ABUZJNSJUAHYQG-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CC(O)C1 ZINC000353486217 368642730 /nfs/dbraw/zinc/64/27/30/368642730.db2.gz ABUZJNSJUAHYQG-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330595432 203016561 /nfs/dbraw/zinc/01/65/61/203016561.db2.gz QUHYBEBBTYIBNO-RYUDHWBXSA-N 1 1 291.351 1.688 20 5 CDBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000037562726 369080407 /nfs/dbraw/zinc/08/04/07/369080407.db2.gz WPFNPFFVWRJOOR-ZETCQYMHSA-N 1 1 257.315 1.223 20 5 CDBDMO CC(C)(C)[C@H](CN)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420366939 244154469 /nfs/dbraw/zinc/15/44/69/244154469.db2.gz RNBNKUCEXHKCHR-ZDUSSCGKSA-N 1 1 281.356 1.937 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640213 244304944 /nfs/dbraw/zinc/30/49/44/244304944.db2.gz SQLPXICCHOUNLW-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303151 193278898 /nfs/dbraw/zinc/27/88/98/193278898.db2.gz KIIBVVMPANYZTI-AYLIAGHASA-N 1 1 288.344 1.933 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303151 193278899 /nfs/dbraw/zinc/27/88/99/193278899.db2.gz KIIBVVMPANYZTI-AYLIAGHASA-N 1 1 288.344 1.933 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1[C@H]1CCCO1 ZINC000368073289 371506615 /nfs/dbraw/zinc/50/66/15/371506615.db2.gz KZUAHTBWFLRMDF-DGCLKSJQSA-N 1 1 294.355 1.681 20 5 CDBDMO Cc1cnc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266237409 371577925 /nfs/dbraw/zinc/57/79/25/371577925.db2.gz WEBIZRRLJHPASF-GFCCVEGCSA-N 1 1 294.355 1.678 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194115464 372808946 /nfs/dbraw/zinc/80/89/46/372808946.db2.gz DIAUMMDRPGBRBX-JTQLQIEISA-N 1 1 288.307 1.977 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637981 373244006 /nfs/dbraw/zinc/24/40/06/373244006.db2.gz HYOSVBUZWVVLDA-CHWSQXEVSA-N 1 1 266.297 1.085 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722526 373480123 /nfs/dbraw/zinc/48/01/23/373480123.db2.gz IMULDOJRGPWTPR-OKPNEXGHSA-N 1 1 250.298 1.921 20 5 CDBDMO CC(C)([NH2+]CCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000298559575 373754192 /nfs/dbraw/zinc/75/41/92/373754192.db2.gz ZVZRRVFBEHZHEN-UHFFFAOYSA-N 1 1 286.353 1.464 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000298640945 373763328 /nfs/dbraw/zinc/76/33/28/373763328.db2.gz QLDNFIBPVSAESG-GXFFZTMASA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](O)C1 ZINC000298640945 373763335 /nfs/dbraw/zinc/76/33/35/373763335.db2.gz QLDNFIBPVSAESG-GXFFZTMASA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000368352837 373824378 /nfs/dbraw/zinc/82/43/78/373824378.db2.gz XVCRKAIIPKLRAT-ITGUQSILSA-N 1 1 262.309 1.573 20 5 CDBDMO Cn1nccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683167 374362156 /nfs/dbraw/zinc/36/21/56/374362156.db2.gz JPWZPCDFMIURSV-UHFFFAOYSA-N 1 1 290.327 1.362 20 5 CDBDMO CC[NH+](CC)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000347131786 374353012 /nfs/dbraw/zinc/35/30/12/374353012.db2.gz BNZQXLAQWGKRLF-UHFFFAOYSA-N 1 1 294.315 1.529 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486332 374386549 /nfs/dbraw/zinc/38/65/49/374386549.db2.gz WIECRKWQPQWHIE-RISCZKNCSA-N 1 1 278.356 1.149 20 5 CDBDMO CC[C@H](NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523851 374387747 /nfs/dbraw/zinc/38/77/47/374387747.db2.gz NUJZHNCRLJXNHQ-KBPBESRZSA-N 1 1 279.340 1.624 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000429231525 374575388 /nfs/dbraw/zinc/57/53/88/374575388.db2.gz GOIQHLFEGPMHEL-UHFFFAOYSA-N 1 1 293.323 1.041 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCC1 ZINC000429257252 374576339 /nfs/dbraw/zinc/57/63/39/374576339.db2.gz SHHFWOBZWVAPFK-UHFFFAOYSA-N 1 1 290.323 1.818 20 5 CDBDMO Cc1ccnc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278871269 374866129 /nfs/dbraw/zinc/86/61/29/374866129.db2.gz ZJNRCXKVIPXXHM-PHIMTYICSA-N 1 1 262.313 1.296 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330916285 374874413 /nfs/dbraw/zinc/87/44/13/374874413.db2.gz ZQBRSRZRHMKGKG-NSHDSACASA-N 1 1 294.355 1.869 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3CO)nc2c1 ZINC000331487258 374964099 /nfs/dbraw/zinc/96/40/99/374964099.db2.gz MKILYINFQSMQIV-JTQLQIEISA-N 1 1 276.296 1.428 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CO)nc2c1 ZINC000331487258 374964105 /nfs/dbraw/zinc/96/41/05/374964105.db2.gz MKILYINFQSMQIV-JTQLQIEISA-N 1 1 276.296 1.428 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000048335444 375296036 /nfs/dbraw/zinc/29/60/36/375296036.db2.gz KQANBMNJECXFOH-SNVBAGLBSA-N 1 1 266.297 1.836 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000304287131 375425616 /nfs/dbraw/zinc/42/56/16/375425616.db2.gz AZIRIETYXCBWPB-ZIAGYGMSSA-N 1 1 294.355 1.417 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011956 375623383 /nfs/dbraw/zinc/62/33/83/375623383.db2.gz YFPFIRNIHOHCBL-NSHDSACASA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000353404082 375605721 /nfs/dbraw/zinc/60/57/21/375605721.db2.gz LYSSCXYMIWSYST-VIFPVBQESA-N 1 1 274.280 1.941 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133245494 375735521 /nfs/dbraw/zinc/73/55/21/375735521.db2.gz OVFSRYPWRRBYMY-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839400 377447354 /nfs/dbraw/zinc/44/73/54/377447354.db2.gz LOKLGSLAZDLRPQ-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO CC[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000444662020 250162829 /nfs/dbraw/zinc/16/28/29/250162829.db2.gz MBSKBONIFAMUNH-ZDUSSCGKSA-N 1 1 291.311 1.215 20 5 CDBDMO Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)ncc1[N+](=O)[O-] ZINC000450383345 251256047 /nfs/dbraw/zinc/25/60/47/251256047.db2.gz ZYBSGGMOYAKGMK-GFCCVEGCSA-N 1 1 293.371 1.505 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000451424968 251707870 /nfs/dbraw/zinc/70/78/70/251707870.db2.gz SYYAZAAFDRUDRI-XQQFMLRXSA-N 1 1 294.355 1.417 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489923324 253017551 /nfs/dbraw/zinc/01/75/51/253017551.db2.gz NOIWGTOLUGBDIM-SECBINFHSA-N 1 1 290.327 1.514 20 5 CDBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)OC ZINC000361574232 285093591 /nfs/dbraw/zinc/09/35/91/285093591.db2.gz UFKVUBZHDCNCEM-VIFPVBQESA-N 1 1 256.306 1.185 20 5 CDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)OC ZINC000361574232 285093593 /nfs/dbraw/zinc/09/35/93/285093593.db2.gz UFKVUBZHDCNCEM-VIFPVBQESA-N 1 1 256.306 1.185 20 5 CDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544584 197108731 /nfs/dbraw/zinc/10/87/31/197108731.db2.gz AEIRTBRVJVZOLO-SLEUVZQESA-N 1 1 294.351 1.721 20 5 CDBDMO COC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000401716386 390220429 /nfs/dbraw/zinc/22/04/29/390220429.db2.gz BDEBOMSAYSPVSD-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000451545736 390630935 /nfs/dbraw/zinc/63/09/35/390630935.db2.gz AFZKNVVABYXVFT-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572631 390632202 /nfs/dbraw/zinc/63/22/02/390632202.db2.gz QTLFAKYQBHQSCL-CYBMUJFWSA-N 1 1 291.351 1.862 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287740304 390660640 /nfs/dbraw/zinc/66/06/40/390660640.db2.gz GPUFKGBWSSNLHC-UHFFFAOYSA-N 1 1 294.355 1.336 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213524 391251761 /nfs/dbraw/zinc/25/17/61/391251761.db2.gz NBCVASIKKLJZGS-JTQLQIEISA-N 1 1 292.339 1.447 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000265918131 391653548 /nfs/dbraw/zinc/65/35/48/391653548.db2.gz XPGMPIOUBYXCAF-LLVKDONJSA-N 1 1 266.297 1.288 20 5 CDBDMO C[C@@H]1CSCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000190393535 130098431 /nfs/dbraw/zinc/09/84/31/130098431.db2.gz BSVUZTAYUIDANZ-NSHDSACASA-N 1 1 297.380 1.441 20 5 CDBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)(C)O ZINC000353494858 391904100 /nfs/dbraw/zinc/90/41/00/391904100.db2.gz QWLXWEOURPTUGS-UHFFFAOYSA-N 1 1 270.333 1.311 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000459737161 392503102 /nfs/dbraw/zinc/50/31/02/392503102.db2.gz HNOXBHWDMOMSSR-LBPRGKRZSA-N 1 1 282.344 1.273 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000267039522 131812229 /nfs/dbraw/zinc/81/22/29/131812229.db2.gz OTAUJYRHHZFPOZ-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000267039522 131812230 /nfs/dbraw/zinc/81/22/30/131812230.db2.gz OTAUJYRHHZFPOZ-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000421011999 392926154 /nfs/dbraw/zinc/92/61/54/392926154.db2.gz SRZKENGTAPLHLX-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191230 392946279 /nfs/dbraw/zinc/94/62/79/392946279.db2.gz XICDFLNHIYALKJ-OAHLLOKOSA-N 1 1 292.335 1.950 20 5 CDBDMO C[C@@H]1CC[NH2+]C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422746228 392957091 /nfs/dbraw/zinc/95/70/91/392957091.db2.gz WFKRERGXEHZSMM-BXUZGUMPSA-N 1 1 263.341 1.725 20 5 CDBDMO CCN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000391627081 393150017 /nfs/dbraw/zinc/15/00/17/393150017.db2.gz YGIWYUYNWXMESB-JTQLQIEISA-N 1 1 281.287 1.444 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275336564 135105155 /nfs/dbraw/zinc/10/51/55/135105155.db2.gz GUZLISAGCICIGK-MNOVXSKESA-N 1 1 297.330 1.625 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667293 140321991 /nfs/dbraw/zinc/32/19/91/140321991.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667293 140321993 /nfs/dbraw/zinc/32/19/93/140321993.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 1 1 291.351 1.548 20 5 CDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240456 148031169 /nfs/dbraw/zinc/03/11/69/148031169.db2.gz XQDSIUAUDVHZIQ-NWDGAFQWSA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305769028 149158209 /nfs/dbraw/zinc/15/82/09/149158209.db2.gz VSBNXKPUPPBVPH-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007132 153023240 /nfs/dbraw/zinc/02/32/40/153023240.db2.gz ZKKMJCARLWQBFF-BDAKNGLRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007132 153023242 /nfs/dbraw/zinc/02/32/42/153023242.db2.gz ZKKMJCARLWQBFF-BDAKNGLRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007132 153023244 /nfs/dbraw/zinc/02/32/44/153023244.db2.gz ZKKMJCARLWQBFF-BDAKNGLRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000346007132 153023247 /nfs/dbraw/zinc/02/32/47/153023247.db2.gz ZKKMJCARLWQBFF-BDAKNGLRSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)O ZINC000352209699 155026118 /nfs/dbraw/zinc/02/61/18/155026118.db2.gz CODIYACRQFPUOO-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230842 155043316 /nfs/dbraw/zinc/04/33/16/155043316.db2.gz MLBXSSDAYIXIAO-QWRGUYRKSA-N 1 1 295.339 1.625 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CCOC)C1 ZINC000359482714 158261744 /nfs/dbraw/zinc/26/17/44/158261744.db2.gz OKJMSMYXPZRYHA-NSHDSACASA-N 1 1 297.359 1.252 20 5 CDBDMO Cc1nc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000285384361 196268164 /nfs/dbraw/zinc/26/81/64/196268164.db2.gz WMYPTZGXDLBXSW-MRVPVSSYSA-N 1 1 290.327 1.497 20 5 CDBDMO Cc1nnc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000285384361 196268166 /nfs/dbraw/zinc/26/81/66/196268166.db2.gz WMYPTZGXDLBXSW-MRVPVSSYSA-N 1 1 290.327 1.497 20 5 CDBDMO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cncc1F ZINC000285462562 196292067 /nfs/dbraw/zinc/29/20/67/196292067.db2.gz ARISOPWEDRRVOZ-QMMMGPOBSA-N 1 1 297.265 1.815 20 5 CDBDMO CCSCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295956396 276394708 /nfs/dbraw/zinc/39/47/08/276394708.db2.gz HVUSNTPWLRDHTC-UHFFFAOYSA-N 1 1 296.396 1.865 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000295249184 279166862 /nfs/dbraw/zinc/16/68/62/279166862.db2.gz QCVKSUXVAGAOHM-CYBMUJFWSA-N 1 1 299.277 1.508 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152438 290331758 /nfs/dbraw/zinc/33/17/58/290331758.db2.gz VVFUOVIKKQVAAA-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152438 290331760 /nfs/dbraw/zinc/33/17/60/290331760.db2.gz VVFUOVIKKQVAAA-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO CCOc1cc(C[N@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000576633800 317176977 /nfs/dbraw/zinc/17/69/77/317176977.db2.gz PWRGTJPUZDHTQB-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO CCOc1cc(C[N@@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000576633800 317176980 /nfs/dbraw/zinc/17/69/80/317176980.db2.gz PWRGTJPUZDHTQB-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO C[C@@H](c1nc(C[NH3+])no1)c1ccc([N+](=O)[O-])cc1F ZINC000581309746 324709207 /nfs/dbraw/zinc/70/92/07/324709207.db2.gz NEJMXFMFRBGKOS-ZCFIWIBFSA-N 1 1 266.232 1.727 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000583739607 325231251 /nfs/dbraw/zinc/23/12/51/325231251.db2.gz CSRRAHPTQFIKGW-UWVGGRQHSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000583739607 325231253 /nfs/dbraw/zinc/23/12/53/325231253.db2.gz CSRRAHPTQFIKGW-UWVGGRQHSA-N 1 1 298.318 1.020 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704586 523025149 /nfs/dbraw/zinc/02/51/49/523025149.db2.gz JSOTXEWDAFUKHA-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157704586 523025158 /nfs/dbraw/zinc/02/51/58/523025158.db2.gz JSOTXEWDAFUKHA-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157704586 523025165 /nfs/dbraw/zinc/02/51/65/523025165.db2.gz JSOTXEWDAFUKHA-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161506118 523046561 /nfs/dbraw/zinc/04/65/61/523046561.db2.gz JMUYVUAKEIKWLN-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000340871244 523143008 /nfs/dbraw/zinc/14/30/08/523143008.db2.gz ONKBCWJGVQCCQM-UHFFFAOYSA-N 1 1 297.359 1.254 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000245408575 523280372 /nfs/dbraw/zinc/28/03/72/523280372.db2.gz HYBQECLHHFBBRX-PWSUYJOCSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000245408575 523280380 /nfs/dbraw/zinc/28/03/80/523280380.db2.gz HYBQECLHHFBBRX-PWSUYJOCSA-N 1 1 268.317 1.291 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000337276058 526304722 /nfs/dbraw/zinc/30/47/22/526304722.db2.gz FASZTPYSTYTFOP-UHFFFAOYSA-N 1 1 288.307 1.512 20 5 CDBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000092657400 536512228 /nfs/dbraw/zinc/51/22/28/536512228.db2.gz MBQDBMDRUOPVEO-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CO ZINC000282767291 528611674 /nfs/dbraw/zinc/61/16/74/528611674.db2.gz LLMOOXCJPYKONG-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CO ZINC000282767291 528611678 /nfs/dbraw/zinc/61/16/78/528611678.db2.gz LLMOOXCJPYKONG-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(C)C ZINC000304287920 528741606 /nfs/dbraw/zinc/74/16/06/528741606.db2.gz BDRZBCSOXHMTKT-AAEUAGOBSA-N 1 1 284.360 1.519 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450012 536879706 /nfs/dbraw/zinc/87/97/06/536879706.db2.gz FOVSRRYIZOWUFB-NSHDSACASA-N 1 1 280.328 1.431 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104819 576549208 /nfs/dbraw/zinc/54/92/08/576549208.db2.gz IFVVLRBACUTQTN-ICCXJUOJSA-N 1 1 266.297 1.083 20 5 CDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC(C)C)C1 ZINC000950056169 614651410 /nfs/dbraw/zinc/65/14/10/614651410.db2.gz VPCAOEQBAORKEY-CHWSQXEVSA-N 1 1 283.372 1.230 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892421189 618177104 /nfs/dbraw/zinc/17/71/04/618177104.db2.gz GAOJDYKOTALLEZ-VIFPVBQESA-N 1 1 291.311 1.885 20 5 CDBDMO COc1c(O)ccc(C[NH2+]C(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000894811925 619070989 /nfs/dbraw/zinc/07/09/89/619070989.db2.gz VWQHSDXPAXQZIA-UHFFFAOYSA-N 1 1 297.355 1.739 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928568213 619406759 /nfs/dbraw/zinc/40/67/59/619406759.db2.gz NRWSSDVRLDGAJU-NSHDSACASA-N 1 1 292.339 1.095 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928568213 619406765 /nfs/dbraw/zinc/40/67/65/619406765.db2.gz NRWSSDVRLDGAJU-NSHDSACASA-N 1 1 292.339 1.095 20 5 CDBDMO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247135 619492978 /nfs/dbraw/zinc/49/29/78/619492978.db2.gz TUDRQTSDXFYBAW-GXFFZTMASA-N 1 1 296.346 1.780 20 5 CDBDMO COc1ccc([C@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000899858832 622486445 /nfs/dbraw/zinc/48/64/45/622486445.db2.gz CLGZWVUQUGOAQH-HNNXBMFYSA-N 1 1 293.367 1.698 20 5 CDBDMO O=[N+]([O-])CCNCCC[N@H+]1CCc2ccccc2C1 ZINC000899869420 622495151 /nfs/dbraw/zinc/49/51/51/622495151.db2.gz FYKFGDPLLOPBGX-UHFFFAOYSA-N 1 1 263.341 1.301 20 5 CDBDMO O=[N+]([O-])CC[NH2+]CCCN1CCc2ccccc2C1 ZINC000899869420 622495154 /nfs/dbraw/zinc/49/51/54/622495154.db2.gz FYKFGDPLLOPBGX-UHFFFAOYSA-N 1 1 263.341 1.301 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1c(F)cccc1[N+](=O)[O-] ZINC000902613884 625027921 /nfs/dbraw/zinc/02/79/21/625027921.db2.gz YLYBTHVIYMSFGR-UHFFFAOYSA-N 1 1 270.264 1.294 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000905201418 626688966 /nfs/dbraw/zinc/68/89/66/626688966.db2.gz IXOLECXCZNIEOT-NSHDSACASA-N 1 1 254.261 1.906 20 5 CDBDMO C[N@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000917082907 632144490 /nfs/dbraw/zinc/14/44/90/632144490.db2.gz YBQPNAYKFNIUAP-QMMMGPOBSA-N 1 1 271.704 1.504 20 5 CDBDMO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]2N)c([N+](=O)[O-])c1 ZINC001170306465 1162339388 /nfs/dbraw/zinc/33/93/88/1162339388.db2.gz VNUAAAIAJFUMMI-XXILOJSOSA-N 1 1 265.313 1.224 20 5 CDBDMO C[C@]([NH3+])(C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC001576085330 1171328749 /nfs/dbraw/zinc/32/87/49/1171328749.db2.gz KHNBNUWAVKQSNE-CYBMUJFWSA-N 1 1 287.279 1.197 20 5 CDBDMO COc1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164635695 719169460 /nfs/dbraw/zinc/16/94/60/719169460.db2.gz LGVHDMBTJXGVLT-VHSXEESVSA-N 1 1 280.328 1.527 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164638656 719198645 /nfs/dbraw/zinc/19/86/45/719198645.db2.gz RBPUQQOWCPBQLD-IUCAKERBSA-N 1 1 295.343 1.231 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164638656 719198649 /nfs/dbraw/zinc/19/86/49/719198649.db2.gz RBPUQQOWCPBQLD-IUCAKERBSA-N 1 1 295.343 1.231 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)[C@@H](C)C[N@H+]1C ZINC001164634805 719213063 /nfs/dbraw/zinc/21/30/63/719213063.db2.gz HBDODGNNLLUGEC-BDAKNGLRSA-N 1 1 265.317 1.101 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000712323028 736386600 /nfs/dbraw/zinc/38/66/00/736386600.db2.gz JDBYPXRZXZGRDY-ZETCQYMHSA-N 1 1 285.250 1.307 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000712323028 736386605 /nfs/dbraw/zinc/38/66/05/736386605.db2.gz JDBYPXRZXZGRDY-ZETCQYMHSA-N 1 1 285.250 1.307 20 5 CDBDMO Cn1cc([C@@H]2C[N@@H+](CC[N+](=O)[O-])CC2(C)C)cn1 ZINC000930589903 736488370 /nfs/dbraw/zinc/48/83/70/736488370.db2.gz VPHNWPODQSZHSH-NSHDSACASA-N 1 1 252.318 1.122 20 5 CDBDMO C[C@H]1CCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867943330 736545502 /nfs/dbraw/zinc/54/55/02/736545502.db2.gz RSFQQBJTRPZZRN-HZMBPMFUSA-N 1 1 277.324 1.780 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839192621 736618054 /nfs/dbraw/zinc/61/80/54/736618054.db2.gz LPPJXSXYVZAWGV-SNPRPXQTSA-N 1 1 292.335 1.739 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000882490242 738440741 /nfs/dbraw/zinc/44/07/41/738440741.db2.gz LKDONPAJZWAHOC-SNVBAGLBSA-N 1 1 279.296 1.124 20 5 CDBDMO C[C@H](CCN(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059953 736728852 /nfs/dbraw/zinc/72/88/52/736728852.db2.gz JGFAEQPIMGZECP-BXUZGUMPSA-N 1 1 281.356 1.558 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000879142658 736814618 /nfs/dbraw/zinc/81/46/18/736814618.db2.gz ZODIYXWODLNROO-RBSFLKMASA-N 1 1 294.351 1.864 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NCC[N@@H+]1CCCOCC1 ZINC000882235110 736951163 /nfs/dbraw/zinc/95/11/63/736951163.db2.gz HBNZYYFBRDVWCG-UHFFFAOYSA-N 1 1 284.291 1.263 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NCC[N@H+]1CCCOCC1 ZINC000882235110 736951165 /nfs/dbraw/zinc/95/11/65/736951165.db2.gz HBNZYYFBRDVWCG-UHFFFAOYSA-N 1 1 284.291 1.263 20 5 CDBDMO CN(C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000886340701 737085057 /nfs/dbraw/zinc/08/50/57/737085057.db2.gz JVUDLKLXEKYAMG-PHIMTYICSA-N 1 1 275.308 1.509 20 5 CDBDMO CN(C(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000886340701 737085060 /nfs/dbraw/zinc/08/50/60/737085060.db2.gz JVUDLKLXEKYAMG-PHIMTYICSA-N 1 1 275.308 1.509 20 5 CDBDMO C[N@@H+](CCCCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789343714 737097362 /nfs/dbraw/zinc/09/73/62/737097362.db2.gz ZNRWBUNUHDENSM-CQSZACIVSA-N 1 1 282.340 1.723 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933863686 738482583 /nfs/dbraw/zinc/48/25/83/738482583.db2.gz GPVGGOWMINJOJE-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844460924 737808486 /nfs/dbraw/zinc/80/84/86/737808486.db2.gz YKLNDXNGFMVEAS-GRYCIOLGSA-N 1 1 284.262 1.825 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844460924 737808490 /nfs/dbraw/zinc/80/84/90/737808490.db2.gz YKLNDXNGFMVEAS-GRYCIOLGSA-N 1 1 284.262 1.825 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886206364 737853241 /nfs/dbraw/zinc/85/32/41/737853241.db2.gz RBGXCNWYGUXRLS-SNVBAGLBSA-N 1 1 253.302 1.583 20 5 CDBDMO Cc1ccc(C[N@@H+](C)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000878659706 738001933 /nfs/dbraw/zinc/00/19/33/738001933.db2.gz XFYBUSXJJNXJRQ-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO Cc1ccc(C[N@H+](C)C(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000878659706 738001941 /nfs/dbraw/zinc/00/19/41/738001941.db2.gz XFYBUSXJJNXJRQ-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685822 738578764 /nfs/dbraw/zinc/57/87/64/738578764.db2.gz YWPLCKIMLVUFTA-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685822 738578771 /nfs/dbraw/zinc/57/87/71/738578771.db2.gz YWPLCKIMLVUFTA-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685822 738578777 /nfs/dbraw/zinc/57/87/77/738578777.db2.gz YWPLCKIMLVUFTA-IJLUTSLNSA-N 1 1 269.345 1.032 20 5 CDBDMO COC(=O)CC(C)(C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000851855371 739070100 /nfs/dbraw/zinc/07/01/00/739070100.db2.gz LHHBAEBVDRMUDJ-UHFFFAOYSA-N 1 1 271.273 1.323 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000250256362 739153965 /nfs/dbraw/zinc/15/39/65/739153965.db2.gz QQOSCEATMZWJIW-DZGCQCFKSA-N 1 1 294.351 1.865 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000930553863 738901947 /nfs/dbraw/zinc/90/19/47/738901947.db2.gz YQKHXERLZQUOJP-RYUDHWBXSA-N 1 1 299.371 1.594 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000885953757 736561323 /nfs/dbraw/zinc/56/13/23/736561323.db2.gz FGYQKPSOESZXEM-LLVKDONJSA-N 1 1 277.324 1.991 20 5 CDBDMO CC(=O)NCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885965711 736618449 /nfs/dbraw/zinc/61/84/49/736618449.db2.gz SRYAFGCFRGLTJE-UHFFFAOYSA-N 1 1 292.339 1.338 20 5 CDBDMO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029180610 737092776 /nfs/dbraw/zinc/09/27/76/737092776.db2.gz VARJZBCXLGGZDV-GASCZTMLSA-N 1 1 289.335 1.790 20 5 CDBDMO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029180610 737092781 /nfs/dbraw/zinc/09/27/81/737092781.db2.gz VARJZBCXLGGZDV-GASCZTMLSA-N 1 1 289.335 1.790 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000886081844 737137531 /nfs/dbraw/zinc/13/75/31/737137531.db2.gz ZHYSAVPZUZPKHN-INIZCTEOSA-N 1 1 299.330 1.913 20 5 CDBDMO C[N@@H+](CCCF)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000887141274 737174033 /nfs/dbraw/zinc/17/40/33/737174033.db2.gz MFTCDHFTKLADDK-ZDUSSCGKSA-N 1 1 295.314 1.992 20 5 CDBDMO COC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583124 737968551 /nfs/dbraw/zinc/96/85/51/737968551.db2.gz XCBPVRKSEDJGJA-SWLSCSKDSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[C@H](O)C3)c2c1 ZINC000872718824 738300249 /nfs/dbraw/zinc/30/02/49/738300249.db2.gz IZYFCKWBRHKODF-HOMQSWHASA-N 1 1 273.292 1.748 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000886303619 738355583 /nfs/dbraw/zinc/35/55/83/738355583.db2.gz AYHFICRNHAKSAE-VXGBXAGGSA-N 1 1 265.313 1.725 20 5 CDBDMO C[C@H]1C[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886032562 739001430 /nfs/dbraw/zinc/00/14/30/739001430.db2.gz JCRQZXCNWZTOFX-AAEUAGOBSA-N 1 1 278.356 1.904 20 5 CDBDMO CC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788434874 739052646 /nfs/dbraw/zinc/05/26/46/739052646.db2.gz LFKDBJACOGDCGY-GFCCVEGCSA-N 1 1 250.298 1.970 20 5 CDBDMO C[N@@H+](CCO)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000884825393 739115199 /nfs/dbraw/zinc/11/51/99/739115199.db2.gz USOBQLNWTXWRLU-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)C[C@H]1C ZINC001173225259 912313509 /nfs/dbraw/zinc/31/35/09/912313509.db2.gz JCESUBRVLGZMMD-GYSYKLTISA-N 1 1 264.325 1.981 20 5 CDBDMO CC[NH2+]Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000166160694 911514723 /nfs/dbraw/zinc/51/47/23/911514723.db2.gz RLJTZDVKTDYDCL-UHFFFAOYSA-N 1 1 266.232 1.893 20 5 CDBDMO CC(C)(C)c1ccc(-n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001168753747 922530994 /nfs/dbraw/zinc/53/09/94/922530994.db2.gz GLXQYULFMOFUAV-UHFFFAOYSA-N 1 1 275.312 1.932 20 5 CDBDMO Cc1cc(C)c(-n2cnc(C[NH3+])n2)c(C)c1[N+](=O)[O-] ZINC001168754386 922594629 /nfs/dbraw/zinc/59/46/29/922594629.db2.gz QAOFYFDYUQHUPM-UHFFFAOYSA-N 1 1 261.285 1.559 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)C1 ZINC000840085199 936937270 /nfs/dbraw/zinc/93/72/70/936937270.db2.gz BPHVVQNZGQWFFI-CYBMUJFWSA-N 1 1 279.344 1.167 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712323286 927286370 /nfs/dbraw/zinc/28/63/70/927286370.db2.gz KMWMYHWOZJVSOY-QMMMGPOBSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712323286 927286388 /nfs/dbraw/zinc/28/63/88/927286388.db2.gz KMWMYHWOZJVSOY-QMMMGPOBSA-N 1 1 283.715 1.682 20 5 CDBDMO CC(C)c1nc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168964752 927587571 /nfs/dbraw/zinc/58/75/71/927587571.db2.gz VRFRHRAEASTGNK-ZJUUUORDSA-N 1 1 268.317 1.728 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011973 927617480 /nfs/dbraw/zinc/61/74/80/927617480.db2.gz OCHAYBXDCCZFEC-NQBHXWOUSA-N 1 1 270.329 1.459 20 5 CDBDMO CC[N@@H+](CCCC(=O)OC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013368 927620777 /nfs/dbraw/zinc/62/07/77/927620777.db2.gz UJTCDPMGEDUEHY-RYUDHWBXSA-N 1 1 272.345 1.707 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3ncsc3C2)C1 ZINC001169033307 927642226 /nfs/dbraw/zinc/64/22/26/927642226.db2.gz BSXMGTCTBLXWOB-ZJUUUORDSA-N 1 1 267.354 1.947 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038418 927650302 /nfs/dbraw/zinc/65/03/02/927650302.db2.gz YSNZHVISCVJGSO-YVECIDJPSA-N 1 1 255.362 1.456 20 5 CDBDMO O=C1CCC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018252 927656881 /nfs/dbraw/zinc/65/68/81/927656881.db2.gz AEFMDYNVZAUEAD-GZBFAFLISA-N 1 1 295.383 1.567 20 5 CDBDMO CCCC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024440 927663059 /nfs/dbraw/zinc/66/30/59/927663059.db2.gz HDIHJXRJXLXOCA-UONOGXRCSA-N 1 1 269.389 1.850 20 5 CDBDMO O=C1NCC[C@]12CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169023506 927664144 /nfs/dbraw/zinc/66/41/44/927664144.db2.gz VBSVFVVGQJCIND-OBJOEFQTSA-N 1 1 281.356 1.034 20 5 CDBDMO CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046727 927666491 /nfs/dbraw/zinc/66/64/91/927666491.db2.gz MIQDLCCBGQKLJV-CHWSQXEVSA-N 1 1 257.378 1.705 20 5 CDBDMO CC[N@H+](CCCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046727 927666485 /nfs/dbraw/zinc/66/64/85/927666485.db2.gz MIQDLCCBGQKLJV-CHWSQXEVSA-N 1 1 257.378 1.705 20 5 CDBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC2(C1)OCCO2 ZINC001169050030 927669811 /nfs/dbraw/zinc/66/98/11/927669811.db2.gz YCJIUPPXDBLUNY-YNEHKIRRSA-N 1 1 284.356 1.659 20 5 CDBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169051288 927669944 /nfs/dbraw/zinc/66/99/44/927669944.db2.gz CRWKRDRHJJTBMR-WOPDTQHZSA-N 1 1 269.345 1.032 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057834 927675824 /nfs/dbraw/zinc/67/58/24/927675824.db2.gz XYCLAFQJPMHUCN-TUAOUCFPSA-N 1 1 282.340 1.317 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000776596480 927793599 /nfs/dbraw/zinc/79/35/99/927793599.db2.gz FCCCCJNHJNSEDF-LERXQTSPSA-N 1 1 280.324 1.331 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156648029 928876729 /nfs/dbraw/zinc/87/67/29/928876729.db2.gz OMIVYPDVXIQJGZ-NSHDSACASA-N 1 1 259.269 1.294 20 5 CDBDMO COc1cc(N2CC[C@H]([N@@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157010811 929105094 /nfs/dbraw/zinc/10/50/94/929105094.db2.gz SPYAVQGXUHFOJJ-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001159743056 930781397 /nfs/dbraw/zinc/78/13/97/930781397.db2.gz BTQRCNKKCSRORQ-SECBINFHSA-N 1 1 295.126 1.766 20 5 CDBDMO COc1cnc(NCc2ccc(N)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001156981058 938442990 /nfs/dbraw/zinc/44/29/90/938442990.db2.gz UKIMZGKVCXWGJD-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090657 938768685 /nfs/dbraw/zinc/76/86/85/938768685.db2.gz LDWZNWGUZUEEKW-ZIAGYGMSSA-N 1 1 295.383 1.446 20 5 CDBDMO CC(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090657 938768686 /nfs/dbraw/zinc/76/86/86/938768686.db2.gz LDWZNWGUZUEEKW-ZIAGYGMSSA-N 1 1 295.383 1.446 20 5 CDBDMO CC(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090657 938768687 /nfs/dbraw/zinc/76/86/87/938768687.db2.gz LDWZNWGUZUEEKW-ZIAGYGMSSA-N 1 1 295.383 1.446 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1C[NH+](C(C)(C)C)C1 ZINC001162225132 938964688 /nfs/dbraw/zinc/96/46/88/938964688.db2.gz BCAILRZLPFMJQC-UHFFFAOYSA-N 1 1 280.328 1.431 20 5 CDBDMO COc1nc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162330760 939025501 /nfs/dbraw/zinc/02/55/01/939025501.db2.gz IWTUDMQUKQZZJN-GFCCVEGCSA-N 1 1 281.316 1.290 20 5 CDBDMO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])ccn2)CCC1(F)F ZINC001164317021 939453265 /nfs/dbraw/zinc/45/32/65/939453265.db2.gz MHUAZAKGJOPKRX-MRVPVSSYSA-N 1 1 258.228 1.163 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165384948 939555295 /nfs/dbraw/zinc/55/52/95/939555295.db2.gz LYYOMPHVXFMZKY-UHFFFAOYSA-N 1 1 294.702 1.563 20 5 CDBDMO Nc1ccnc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000311744415 941334513 /nfs/dbraw/zinc/33/45/13/941334513.db2.gz TYELCAVYINVHPE-UHFFFAOYSA-N 1 1 283.357 1.033 20 5 CDBDMO COC(=O)c1cc(CO[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689431 941691208 /nfs/dbraw/zinc/69/12/08/941691208.db2.gz ZWKSBPMVSBGMCS-ZDUSSCGKSA-N 1 1 294.307 1.602 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225628427 941890319 /nfs/dbraw/zinc/89/03/19/941890319.db2.gz MOAPEPCAIADBDL-XRNSZHNASA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225628427 941890320 /nfs/dbraw/zinc/89/03/20/941890320.db2.gz MOAPEPCAIADBDL-XRNSZHNASA-N 1 1 277.280 1.173 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226115624 941953104 /nfs/dbraw/zinc/95/31/04/941953104.db2.gz GFVYUPVTGSQRJO-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581063 942030037 /nfs/dbraw/zinc/03/00/37/942030037.db2.gz KEAQRHRTWCPWQQ-SNVBAGLBSA-N 1 1 281.312 1.862 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044412 942412089 /nfs/dbraw/zinc/41/20/89/942412089.db2.gz HBQNSQGSQLIIOX-JTQLQIEISA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233764153 943651759 /nfs/dbraw/zinc/65/17/59/943651759.db2.gz YQUNJDCTRBXGLZ-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H](O)C1 ZINC001254552404 947520010 /nfs/dbraw/zinc/52/00/10/947520010.db2.gz LHLWOYVOVHBEKV-DGCLKSJQSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@]1(CO)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599703 947550029 /nfs/dbraw/zinc/55/00/29/947550029.db2.gz PCLKEYCFSJAWHD-HUUCEWRRSA-N 1 1 276.336 1.766 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246315650 948102969 /nfs/dbraw/zinc/10/29/69/948102969.db2.gz UYVVLEKVXOUVMD-CMPLNLGQSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246315650 948102971 /nfs/dbraw/zinc/10/29/71/948102971.db2.gz UYVVLEKVXOUVMD-CMPLNLGQSA-N 1 1 251.330 1.853 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2ccc([N+](=O)[O-])s2)o1 ZINC001328434014 955292995 /nfs/dbraw/zinc/29/29/95/955292995.db2.gz RFVQYUOQGUYVRQ-UHFFFAOYSA-N 1 1 254.271 1.768 20 5 CDBDMO CC(C)n1ncc2c1[C@@H]([NH2+]CC[N+](=O)[O-])CCC2 ZINC001336303488 955430067 /nfs/dbraw/zinc/43/00/67/955430067.db2.gz KEOGQOHMVBOTAS-NSHDSACASA-N 1 1 252.318 1.708 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001334076663 958814089 /nfs/dbraw/zinc/81/40/89/958814089.db2.gz VRMPXKVDAUUVTI-VIFPVBQESA-N 1 1 296.302 1.807 20 5 CDBDMO Nc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001336495698 960367737 /nfs/dbraw/zinc/36/77/37/960367737.db2.gz RPRMIJGVSMTIDE-MRVPVSSYSA-N 1 1 263.301 1.221 20 5 CDBDMO COc1cc(-c2nnc(C[NH+](C)C)o2)ccc1[N+](=O)[O-] ZINC001324177681 961218193 /nfs/dbraw/zinc/21/81/93/961218193.db2.gz FSTOHEBUNDGENK-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO C[NH+](C)[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406609 961782600 /nfs/dbraw/zinc/78/26/00/961782600.db2.gz BJNZXSVCCQXXER-CABCVRRESA-N 1 1 293.367 1.558 20 5 CDBDMO Nc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001339560642 962423168 /nfs/dbraw/zinc/42/31/68/962423168.db2.gz ZTYXOWYAUVMTMX-SNVBAGLBSA-N 1 1 277.328 1.247 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340908226 963186324 /nfs/dbraw/zinc/18/63/24/963186324.db2.gz RMMDMPACVYLHQF-GHMZBOCLSA-N 1 1 299.277 1.409 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001341416473 963407371 /nfs/dbraw/zinc/40/73/71/963407371.db2.gz WYHJOQKOFPSSSR-GFCCVEGCSA-N 1 1 278.312 1.098 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](CF)C2)c2ncc([N+](=O)[O-])cc12 ZINC001353200202 967770532 /nfs/dbraw/zinc/77/05/32/967770532.db2.gz ZQDUEEDAIJQAAH-SNVBAGLBSA-N 1 1 293.302 1.897 20 5 CDBDMO CC(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200472595 968287989 /nfs/dbraw/zinc/28/79/89/968287989.db2.gz ROBNONWFIBOLKI-CHWSQXEVSA-N 1 1 283.372 1.278 20 5 CDBDMO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581495 969436792 /nfs/dbraw/zinc/43/67/92/969436792.db2.gz ARUOPYCGXPLHLE-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581495 969436799 /nfs/dbraw/zinc/43/67/99/969436799.db2.gz ARUOPYCGXPLHLE-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO CN1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581495 969436803 /nfs/dbraw/zinc/43/68/03/969436803.db2.gz ARUOPYCGXPLHLE-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO COCCOCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601108486 342467079 /nfs/dbraw/zinc/46/70/79/342467079.db2.gz LLRJXTVADZMSOU-UHFFFAOYSA-N 1 1 291.307 1.640 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCCCO)c2c1 ZINC000601154731 342483680 /nfs/dbraw/zinc/48/36/80/342483680.db2.gz VDMVEOUWYMWJJI-UHFFFAOYSA-N 1 1 261.281 1.749 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000599198985 343979094 /nfs/dbraw/zinc/97/90/94/343979094.db2.gz DSQJLXISBQDDLN-QMMMGPOBSA-N 1 1 257.315 1.135 20 5 CDBDMO Cc1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599200106 343979717 /nfs/dbraw/zinc/97/97/17/343979717.db2.gz WTHGBIPUSGGOLC-NSHDSACASA-N 1 1 265.313 1.382 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](C)[C@H]3C2)n1 ZINC000590719166 342585906 /nfs/dbraw/zinc/58/59/06/342585906.db2.gz ZVLRXPKDEZFQTR-PWSUYJOCSA-N 1 1 262.313 1.439 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cn1C)C(C)C ZINC000608839642 342077245 /nfs/dbraw/zinc/07/72/45/342077245.db2.gz OPJJBHGJHWGTPS-UHFFFAOYSA-N 1 1 282.344 1.393 20 5 CDBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000565532805 365672999 /nfs/dbraw/zinc/67/29/99/365672999.db2.gz WKTIDKFTXHZYFQ-NSHDSACASA-N 1 1 277.324 1.551 20 5 CDBDMO C[C@@H]1CC2(C[N@H+]1CCn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592184331 342679845 /nfs/dbraw/zinc/67/98/45/342679845.db2.gz OEHQWLKJHHIRKB-GFCCVEGCSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@H](NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600712230 342243799 /nfs/dbraw/zinc/24/37/99/342243799.db2.gz VCUKMKAEWPNIKE-CMPLNLGQSA-N 1 1 265.313 1.234 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768022 342232776 /nfs/dbraw/zinc/23/27/76/342232776.db2.gz MHRWQIDGALHEQH-AWEZNQCLSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1cc(N2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000074725113 342303510 /nfs/dbraw/zinc/30/35/10/342303510.db2.gz DEMPOQLTJKWBBL-UHFFFAOYSA-N 1 1 250.302 1.440 20 5 CDBDMO Cc1noc(CN2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595344695 343044197 /nfs/dbraw/zinc/04/41/97/343044197.db2.gz NTEMVMFQHQGRMM-UHFFFAOYSA-N 1 1 291.311 1.994 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595526107 343089385 /nfs/dbraw/zinc/08/93/85/343089385.db2.gz JLZYPMYDNZIJDA-DGCLKSJQSA-N 1 1 284.287 1.627 20 5 CDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674541 343128724 /nfs/dbraw/zinc/12/87/24/343128724.db2.gz LERDUMWFLUYKEZ-WCQYABFASA-N 1 1 282.344 1.274 20 5 CDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595730027 343141387 /nfs/dbraw/zinc/14/13/87/343141387.db2.gz ZIOCHRCQELCBLV-AAEUAGOBSA-N 1 1 289.335 1.695 20 5 CDBDMO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@H+]1CCC[C@H](C)C1 ZINC000596079051 343227218 /nfs/dbraw/zinc/22/72/18/343227218.db2.gz XIFBBOKBIMUWSC-QWRGUYRKSA-N 1 1 293.371 1.526 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000081554631 342370197 /nfs/dbraw/zinc/37/01/97/342370197.db2.gz POOWKAPNFQYQQB-SECBINFHSA-N 1 1 283.303 1.548 20 5 CDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596087234 343233093 /nfs/dbraw/zinc/23/30/93/343233093.db2.gz HQXGLSGKXXZBNQ-UHFFFAOYSA-N 1 1 278.312 1.200 20 5 CDBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596147432 343244176 /nfs/dbraw/zinc/24/41/76/343244176.db2.gz WYZWOTHNRQFWAQ-MWLCHTKSSA-N 1 1 292.339 1.588 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000596194088 343253912 /nfs/dbraw/zinc/25/39/12/343253912.db2.gz OGSJRZYEMQYPHD-VIFPVBQESA-N 1 1 298.730 1.164 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000596194088 343253914 /nfs/dbraw/zinc/25/39/14/343253914.db2.gz OGSJRZYEMQYPHD-VIFPVBQESA-N 1 1 298.730 1.164 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000267820045 362166257 /nfs/dbraw/zinc/16/62/57/362166257.db2.gz XOOOLOSUMPSFSC-JTQLQIEISA-N 1 1 275.312 1.883 20 5 CDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141514585 342434571 /nfs/dbraw/zinc/43/45/71/342434571.db2.gz JARXSOYZLACJQN-LLVKDONJSA-N 1 1 295.364 1.967 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599669187 344125863 /nfs/dbraw/zinc/12/58/63/344125863.db2.gz CABVSYVRMWVKND-XBXGTLAGSA-N 1 1 264.325 1.840 20 5 CDBDMO Cc1noc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000602930303 344661085 /nfs/dbraw/zinc/66/10/85/344661085.db2.gz CNGJVLMKUDWDFM-NXEZZACHSA-N 1 1 269.301 1.627 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000602930303 344661089 /nfs/dbraw/zinc/66/10/89/344661089.db2.gz CNGJVLMKUDWDFM-NXEZZACHSA-N 1 1 269.301 1.627 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842180 344621971 /nfs/dbraw/zinc/62/19/71/344621971.db2.gz QQQBVYIJACCKCD-YPMHNXCESA-N 1 1 296.371 1.847 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842134 344622223 /nfs/dbraw/zinc/62/22/23/344622223.db2.gz QHZZDMWNSIAYMV-JQWIXIFHSA-N 1 1 282.344 1.457 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000049460836 344712236 /nfs/dbraw/zinc/71/22/36/344712236.db2.gz LZGFYGTZQCTOBF-UHFFFAOYSA-N 1 1 274.280 1.530 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293442843 362552661 /nfs/dbraw/zinc/55/26/61/362552661.db2.gz OSNFSGZBZCTCDF-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293442843 362552665 /nfs/dbraw/zinc/55/26/65/362552665.db2.gz OSNFSGZBZCTCDF-VIFPVBQESA-N 1 1 283.284 1.706 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087479 346602438 /nfs/dbraw/zinc/60/24/38/346602438.db2.gz JVOXHWKVKKTUME-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000611088254 346602785 /nfs/dbraw/zinc/60/27/85/346602785.db2.gz MBJPQSWCOYSSOR-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000611088254 346602790 /nfs/dbraw/zinc/60/27/90/346602790.db2.gz MBJPQSWCOYSSOR-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CO ZINC000615455831 348514528 /nfs/dbraw/zinc/51/45/28/348514528.db2.gz IRVWJSPFABWVAH-JOYOIKCWSA-N 1 1 291.307 1.939 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000266085697 362938457 /nfs/dbraw/zinc/93/84/57/362938457.db2.gz OOAMMNQUCFNYPY-NSHDSACASA-N 1 1 277.324 1.585 20 5 CDBDMO COc1ccc(CNC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000106468327 186119598 /nfs/dbraw/zinc/11/95/98/186119598.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 1 1 279.340 1.787 20 5 CDBDMO COc1ccc(CNC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000106468327 186119599 /nfs/dbraw/zinc/11/95/99/186119599.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 1 1 279.340 1.787 20 5 CDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271598246 191233349 /nfs/dbraw/zinc/23/33/49/191233349.db2.gz HHPGHKJDELBGNX-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000292589885 198343480 /nfs/dbraw/zinc/34/34/80/198343480.db2.gz LOLSDFIEWLWSMK-NSHDSACASA-N 1 1 296.346 1.700 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000411917609 363375457 /nfs/dbraw/zinc/37/54/57/363375457.db2.gz CUZOAWDISUTNJP-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000411917609 363375462 /nfs/dbraw/zinc/37/54/62/363375462.db2.gz CUZOAWDISUTNJP-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO C[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000560700779 357012511 /nfs/dbraw/zinc/01/25/11/357012511.db2.gz KKMBCWNIOPDUSL-UHFFFAOYSA-N 1 1 290.323 1.874 20 5 CDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438325 357235420 /nfs/dbraw/zinc/23/54/20/357235420.db2.gz WUQVBKLZLFKFCZ-RYUDHWBXSA-N 1 1 293.371 1.387 20 5 CDBDMO C[C@@H](NC[C@@H](C)[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284110651 357642738 /nfs/dbraw/zinc/64/27/38/357642738.db2.gz NGPJAJIMEUDAOR-NXEZZACHSA-N 1 1 266.345 1.778 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000361658706 358408240 /nfs/dbraw/zinc/40/82/40/358408240.db2.gz GHIKOVGPLZZBOO-DGCLKSJQSA-N 1 1 264.325 1.963 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194704356 358388705 /nfs/dbraw/zinc/38/87/05/358388705.db2.gz HMMIRLQUCCTNKQ-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264840919 358725658 /nfs/dbraw/zinc/72/56/58/358725658.db2.gz JVHFGMZGFIQGRD-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000230873328 358796858 /nfs/dbraw/zinc/79/68/58/358796858.db2.gz QUHXRYPSWTYGKJ-UHFFFAOYSA-N 1 1 251.290 1.281 20 5 CDBDMO CNC(=O)N[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342358577 359018129 /nfs/dbraw/zinc/01/81/29/359018129.db2.gz HNGBZTFHQMNZBL-LBPRGKRZSA-N 1 1 292.339 1.141 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)O ZINC000051837837 359134594 /nfs/dbraw/zinc/13/45/94/359134594.db2.gz AORRDVHWSIZWCB-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)O ZINC000051837837 359134596 /nfs/dbraw/zinc/13/45/96/359134596.db2.gz AORRDVHWSIZWCB-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO Cc1nn(C)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000265131585 359531950 /nfs/dbraw/zinc/53/19/50/359531950.db2.gz NGWXFDRIBWRWRJ-SNVBAGLBSA-N 1 1 290.327 1.744 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341222991 366536232 /nfs/dbraw/zinc/53/62/32/366536232.db2.gz UPOBGBNFWSXYMD-GFCCVEGCSA-N 1 1 290.323 1.542 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000265164280 359827676 /nfs/dbraw/zinc/82/76/76/359827676.db2.gz WTIZTTYCQIJLJW-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000081553381 359862546 /nfs/dbraw/zinc/86/25/46/359862546.db2.gz KSTRORTTYSUTOB-VIFPVBQESA-N 1 1 283.303 1.548 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000081553381 359862553 /nfs/dbraw/zinc/86/25/53/359862553.db2.gz KSTRORTTYSUTOB-VIFPVBQESA-N 1 1 283.303 1.548 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000383779305 360083475 /nfs/dbraw/zinc/08/34/75/360083475.db2.gz ABARJGMUBXABPY-NSHDSACASA-N 1 1 286.303 1.814 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000178191361 189096734 /nfs/dbraw/zinc/09/67/34/189096734.db2.gz AFDGQZJGAHRTLY-UHFFFAOYSA-N 1 1 292.339 1.391 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340911486 363781545 /nfs/dbraw/zinc/78/15/45/363781545.db2.gz FLPSPZJWNRCQNO-WDEREUQCSA-N 1 1 266.297 1.429 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249497694 364756823 /nfs/dbraw/zinc/75/68/23/364756823.db2.gz HICNIBWNEDJRGQ-OLZOCXBDSA-N 1 1 293.367 1.482 20 5 CDBDMO Nc1c(F)c(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000275477897 193054429 /nfs/dbraw/zinc/05/44/29/193054429.db2.gz PAZNHZIAHRHZSI-UHFFFAOYSA-N 1 1 298.318 1.450 20 5 CDBDMO Nc1c(F)c(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000275477897 193054430 /nfs/dbraw/zinc/05/44/30/193054430.db2.gz PAZNHZIAHRHZSI-UHFFFAOYSA-N 1 1 298.318 1.450 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)c1 ZINC000275511270 193062394 /nfs/dbraw/zinc/06/23/94/193062394.db2.gz VAXDYEUNYCADOV-UHFFFAOYSA-N 1 1 295.339 1.738 20 5 CDBDMO CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270826093 366935218 /nfs/dbraw/zinc/93/52/18/366935218.db2.gz BXUGDUWGALDCKB-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330595433 203017606 /nfs/dbraw/zinc/01/76/06/203017606.db2.gz QUHYBEBBTYIBNO-VXGBXAGGSA-N 1 1 291.351 1.688 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000330673613 203102068 /nfs/dbraw/zinc/10/20/68/203102068.db2.gz PNYRSFKRIPQFCV-GFCCVEGCSA-N 1 1 279.340 1.610 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000330688193 203120120 /nfs/dbraw/zinc/12/01/20/203120120.db2.gz WSQASSVDXLUTBJ-UHFFFAOYSA-N 1 1 295.343 1.048 20 5 CDBDMO Cc1nn(C)c(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420633455 244299710 /nfs/dbraw/zinc/29/97/10/244299710.db2.gz JEKKEBTXJLLTJF-JTQLQIEISA-N 1 1 267.333 1.167 20 5 CDBDMO Cc1c([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000330874875 203339847 /nfs/dbraw/zinc/33/98/47/203339847.db2.gz ISLVUCBVCVTNIP-DOMZBBRYSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000330874875 203339851 /nfs/dbraw/zinc/33/98/51/203339851.db2.gz ISLVUCBVCVTNIP-DOMZBBRYSA-N 1 1 293.367 1.620 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330888255 203356244 /nfs/dbraw/zinc/35/62/44/203356244.db2.gz GDGBOWNOUGOZBW-DGCLKSJQSA-N 1 1 291.351 1.736 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1c([N+](=O)[O-])ncn1C ZINC000269517154 370466992 /nfs/dbraw/zinc/46/69/92/370466992.db2.gz UTJCDJCDAVEENQ-UHFFFAOYSA-N 1 1 278.316 1.360 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000112926327 284333269 /nfs/dbraw/zinc/33/32/69/284333269.db2.gz GYKHWQZKGLKVAV-UHFFFAOYSA-N 1 1 297.380 1.755 20 5 CDBDMO C[N@H+](Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421748 372781686 /nfs/dbraw/zinc/78/16/86/372781686.db2.gz ITSUEIXAMPRCDF-NSHDSACASA-N 1 1 296.352 1.346 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000543576965 373036502 /nfs/dbraw/zinc/03/65/02/373036502.db2.gz GOECWFISTQDNLA-NSHDSACASA-N 1 1 294.355 1.395 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000299533861 373656007 /nfs/dbraw/zinc/65/60/07/373656007.db2.gz RGPANJMVCDFHNP-GFCCVEGCSA-N 1 1 263.297 1.305 20 5 CDBDMO CC[N@@H+](CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000266584016 374086541 /nfs/dbraw/zinc/08/65/41/374086541.db2.gz SGMYUGDKEQMSKG-UHFFFAOYSA-N 1 1 268.313 1.678 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000154854861 374765738 /nfs/dbraw/zinc/76/57/38/374765738.db2.gz JUVGQLQFTWEHFU-NOZJJQNGSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000154854861 374765746 /nfs/dbraw/zinc/76/57/46/374765746.db2.gz JUVGQLQFTWEHFU-NOZJJQNGSA-N 1 1 283.303 1.865 20 5 CDBDMO Cc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000331159108 374897958 /nfs/dbraw/zinc/89/79/58/374897958.db2.gz ZMFHDPZDRIPQHN-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=CCC2)n1 ZINC000280222637 374988391 /nfs/dbraw/zinc/98/83/91/374988391.db2.gz KZBLRLAVEJCMNT-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000096474970 375104341 /nfs/dbraw/zinc/10/43/41/375104341.db2.gz MEFVHCMFUNBWKG-GFCCVEGCSA-N 1 1 278.356 1.561 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332669049 375043492 /nfs/dbraw/zinc/04/34/92/375043492.db2.gz QHIIHOHCHBLQSG-SNVBAGLBSA-N 1 1 252.318 1.949 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471800054 375056336 /nfs/dbraw/zinc/05/63/36/375056336.db2.gz SUIMUROKEQAKFW-PWSUYJOCSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H](O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000131139098 375173526 /nfs/dbraw/zinc/17/35/26/375173526.db2.gz MWOZRFXOAHAOSK-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1cc(=O)n(CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000283856535 375126708 /nfs/dbraw/zinc/12/67/08/375126708.db2.gz HMVQAEXZWLGCNY-LBPRGKRZSA-N 1 1 279.340 1.939 20 5 CDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc[nH]n1 ZINC000345044400 375731846 /nfs/dbraw/zinc/73/18/46/375731846.db2.gz PAPVJYOPQIXSKJ-XFFZJAGNSA-N 1 1 287.323 1.949 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354747194 375748142 /nfs/dbraw/zinc/74/81/42/375748142.db2.gz XNDBHRYALAUUNB-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171498907 376723463 /nfs/dbraw/zinc/72/34/63/376723463.db2.gz TVKVSYOCQQEYMU-VIFPVBQESA-N 1 1 297.359 1.097 20 5 CDBDMO CC1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173739144 379029741 /nfs/dbraw/zinc/02/97/41/379029741.db2.gz COIQAIQRJBYKPU-GFCCVEGCSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000444662018 250163096 /nfs/dbraw/zinc/16/30/96/250163096.db2.gz MBSKBONIFAMUNH-CYBMUJFWSA-N 1 1 291.311 1.215 20 5 CDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872498 379601650 /nfs/dbraw/zinc/60/16/50/379601650.db2.gz MBDKXEFOGFJODJ-OLZOCXBDSA-N 1 1 296.371 1.927 20 5 CDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267036256 379604390 /nfs/dbraw/zinc/60/43/90/379604390.db2.gz CEGCWWQPIDATTI-GHMZBOCLSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451156928 390602469 /nfs/dbraw/zinc/60/24/69/390602469.db2.gz UHIFQCWAIAPCOJ-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517443814 391140840 /nfs/dbraw/zinc/14/08/40/391140840.db2.gz GMLDTOARKNQJLH-JTQLQIEISA-N 1 1 280.328 1.005 20 5 CDBDMO C[C@@H]([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C1(C)CC1 ZINC000177249798 391166810 /nfs/dbraw/zinc/16/68/10/391166810.db2.gz GZNCMIZMVUMQJV-SNVBAGLBSA-N 1 1 252.318 1.912 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000519716618 391209218 /nfs/dbraw/zinc/20/92/18/391209218.db2.gz WGWODKBUFPVPRJ-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000519716618 391209221 /nfs/dbraw/zinc/20/92/21/391209221.db2.gz WGWODKBUFPVPRJ-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO Cc1nn(C)c(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000413441645 391214890 /nfs/dbraw/zinc/21/48/90/391214890.db2.gz PXSYZXJPUNXSPO-LLVKDONJSA-N 1 1 281.360 1.781 20 5 CDBDMO CN1C[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000573998129 391668005 /nfs/dbraw/zinc/66/80/05/391668005.db2.gz HCWJQBFUXMZMFG-CYBMUJFWSA-N 1 1 277.324 1.647 20 5 CDBDMO COCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000054353680 391830205 /nfs/dbraw/zinc/83/02/05/391830205.db2.gz HXQOIVFRPXWPLL-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000590762149 391922569 /nfs/dbraw/zinc/92/25/69/391922569.db2.gz ICOKMMWQPUGKNG-ZWNOBZJWSA-N 1 1 250.298 1.592 20 5 CDBDMO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000231666820 391932346 /nfs/dbraw/zinc/93/23/46/391932346.db2.gz JQEKAFGLDMJFSQ-MWLCHTKSSA-N 1 1 263.297 1.476 20 5 CDBDMO CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000487998536 391942525 /nfs/dbraw/zinc/94/25/25/391942525.db2.gz IJKZYEPBWXXVGJ-GFCCVEGCSA-N 1 1 281.360 1.063 20 5 CDBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272654796 392184008 /nfs/dbraw/zinc/18/40/08/392184008.db2.gz BARRVQWBJMNHRY-NSHDSACASA-N 1 1 289.335 1.975 20 5 CDBDMO CNC(=O)C1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459614063 392494644 /nfs/dbraw/zinc/49/46/44/392494644.db2.gz VJKAAUSDZMSTES-XQRVVYSFSA-N 1 1 275.308 1.286 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)[C@H]1C ZINC000419373645 392891433 /nfs/dbraw/zinc/89/14/33/392891433.db2.gz OOBLXJJNJIYRLX-UTLUCORTSA-N 1 1 252.318 1.805 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525103794 392920744 /nfs/dbraw/zinc/92/07/44/392920744.db2.gz QXIMAYQOKBCRQL-ZJUUUORDSA-N 1 1 280.328 1.146 20 5 CDBDMO CC[C@H]([NH2+]CCNCCOC)c1cccc([N+](=O)[O-])c1 ZINC000423314435 392960024 /nfs/dbraw/zinc/96/00/24/392960024.db2.gz HERXCWSUJKCCBY-AWEZNQCLSA-N 1 1 281.356 1.872 20 5 CDBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185587149 140043482 /nfs/dbraw/zinc/04/34/82/140043482.db2.gz CHYWFAMWGGLKNO-WCFLWFBJSA-N 1 1 282.344 1.273 20 5 CDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000105610479 147223743 /nfs/dbraw/zinc/22/37/43/147223743.db2.gz UZEFWJUDMFKKRL-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000105610479 147223747 /nfs/dbraw/zinc/22/37/47/147223747.db2.gz UZEFWJUDMFKKRL-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO CCOC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244503 148030788 /nfs/dbraw/zinc/03/07/88/148030788.db2.gz KULAULUMFGQBON-LBPRGKRZSA-N 1 1 282.344 1.540 20 5 CDBDMO CCCN(CC[NH+](C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000343064009 152017683 /nfs/dbraw/zinc/01/76/83/152017683.db2.gz XBAWSWKWFDJPJH-UHFFFAOYSA-N 1 1 283.332 1.040 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343513255 152207285 /nfs/dbraw/zinc/20/72/85/152207285.db2.gz JXDQLFAQLSPFKN-RNCFNFMXSA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344035331 152397452 /nfs/dbraw/zinc/39/74/52/152397452.db2.gz RQTHRSFYZGEZFK-CQDKDKBSSA-N 1 1 292.335 1.676 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995273 156211039 /nfs/dbraw/zinc/21/10/39/156211039.db2.gz HCQOOEMTUMBDFD-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000354006623 156220248 /nfs/dbraw/zinc/22/02/48/156220248.db2.gz MNKXTVYHPABRHI-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000354006623 156220244 /nfs/dbraw/zinc/22/02/44/156220244.db2.gz MNKXTVYHPABRHI-SECBINFHSA-N 1 1 283.353 1.823 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359589137 158299700 /nfs/dbraw/zinc/29/97/00/158299700.db2.gz ZHKFPXSLEYLXEB-CQSZACIVSA-N 1 1 296.323 1.187 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359589137 158299702 /nfs/dbraw/zinc/29/97/02/158299702.db2.gz ZHKFPXSLEYLXEB-CQSZACIVSA-N 1 1 296.323 1.187 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000007782176 170302726 /nfs/dbraw/zinc/30/27/26/170302726.db2.gz PHRPBVQBPDXVGX-LLVKDONJSA-N 1 1 292.339 1.169 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000152206250 273699806 /nfs/dbraw/zinc/69/98/06/273699806.db2.gz PKPKQKRZYMQPMO-UHFFFAOYSA-N 1 1 279.340 1.753 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420593441 274394691 /nfs/dbraw/zinc/39/46/91/274394691.db2.gz BWEMLTARKDDWEV-ZJUUUORDSA-N 1 1 292.339 1.588 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000367155060 275040843 /nfs/dbraw/zinc/04/08/43/275040843.db2.gz ZVULRAINDACEJY-SECBINFHSA-N 1 1 268.342 1.726 20 5 CDBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639788 276052671 /nfs/dbraw/zinc/05/26/71/276052671.db2.gz FBEOUYALSPAROV-GJZGRUSLSA-N 1 1 294.351 1.910 20 5 CDBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639788 276052673 /nfs/dbraw/zinc/05/26/73/276052673.db2.gz FBEOUYALSPAROV-GJZGRUSLSA-N 1 1 294.351 1.910 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267194699 276165108 /nfs/dbraw/zinc/16/51/08/276165108.db2.gz HZNFFHXWKAMGCW-UHFFFAOYSA-N 1 1 292.339 1.226 20 5 CDBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191648263 279239281 /nfs/dbraw/zinc/23/92/81/279239281.db2.gz CHDGSJHBKKZTIK-AWEZNQCLSA-N 1 1 296.371 1.664 20 5 CDBDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580604 279262231 /nfs/dbraw/zinc/26/22/31/279262231.db2.gz AEIMTPRJZZFPLZ-WFASDCNBSA-N 1 1 293.367 1.903 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090551669 279279272 /nfs/dbraw/zinc/27/92/72/279279272.db2.gz SVCGOLMPXGARML-GHMZBOCLSA-N 1 1 265.313 1.487 20 5 CDBDMO C[NH2+]C[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237333387 280171833 /nfs/dbraw/zinc/17/18/33/280171833.db2.gz WZJPJGOHLWVDPK-MRVPVSSYSA-N 1 1 291.311 1.056 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000352887053 290126300 /nfs/dbraw/zinc/12/63/00/290126300.db2.gz IXYXDCQZJWYUOV-RYUDHWBXSA-N 1 1 296.371 1.844 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000555127257 290204619 /nfs/dbraw/zinc/20/46/19/290204619.db2.gz NTVLGAYWQRDVFP-JTQLQIEISA-N 1 1 282.344 1.392 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000569062621 294148327 /nfs/dbraw/zinc/14/83/27/294148327.db2.gz ZVFCLSHGNTYRMP-UHFFFAOYSA-N 1 1 287.323 1.640 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122203 323383217 /nfs/dbraw/zinc/38/32/17/323383217.db2.gz KSGJAMAUXNEQMV-JEOXALJRSA-N 1 1 284.381 1.836 20 5 CDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000583739608 325231393 /nfs/dbraw/zinc/23/13/93/325231393.db2.gz CSRRAHPTQFIKGW-VHSXEESVSA-N 1 1 298.318 1.020 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000583739608 325231394 /nfs/dbraw/zinc/23/13/94/325231394.db2.gz CSRRAHPTQFIKGW-VHSXEESVSA-N 1 1 298.318 1.020 20 5 CDBDMO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030337 1161998501 /nfs/dbraw/zinc/99/85/01/1161998501.db2.gz YWXRIJXKUVCSCI-OCCSQVGLSA-N 1 1 295.383 1.519 20 5 CDBDMO O=C1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCCC1 ZINC001169030337 1161998504 /nfs/dbraw/zinc/99/85/04/1161998504.db2.gz YWXRIJXKUVCSCI-OCCSQVGLSA-N 1 1 295.383 1.519 20 5 CDBDMO Cc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358166583 524580023 /nfs/dbraw/zinc/58/00/23/524580023.db2.gz MKCWSXLGISTMHH-AWEZNQCLSA-N 1 1 279.340 1.059 20 5 CDBDMO Cc1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358166583 524580035 /nfs/dbraw/zinc/58/00/35/524580035.db2.gz MKCWSXLGISTMHH-AWEZNQCLSA-N 1 1 279.340 1.059 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C1 ZINC000061708788 525461082 /nfs/dbraw/zinc/46/10/82/525461082.db2.gz ZQQGRTIZTWGHNH-NSHDSACASA-N 1 1 252.270 1.170 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C1 ZINC000061708788 525461086 /nfs/dbraw/zinc/46/10/86/525461086.db2.gz ZQQGRTIZTWGHNH-NSHDSACASA-N 1 1 252.270 1.170 20 5 CDBDMO O=C1NCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810685 527065082 /nfs/dbraw/zinc/06/50/82/527065082.db2.gz IXWMJYITDRHMHL-NSHDSACASA-N 1 1 267.260 1.102 20 5 CDBDMO COCC1([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761102425 576548808 /nfs/dbraw/zinc/54/88/08/576548808.db2.gz RGUQXNANZIUYCR-CYBMUJFWSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@H]1COCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000753995346 576872516 /nfs/dbraw/zinc/87/25/16/576872516.db2.gz SVFVSJQAXHQDPS-LLVKDONJSA-N 1 1 290.323 1.870 20 5 CDBDMO C[C@H]1COCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000753995346 576872517 /nfs/dbraw/zinc/87/25/17/576872517.db2.gz SVFVSJQAXHQDPS-LLVKDONJSA-N 1 1 290.323 1.870 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851876853 617693610 /nfs/dbraw/zinc/69/36/10/617693610.db2.gz QBJIAOIFLADZBS-MRVPVSSYSA-N 1 1 254.290 1.027 20 5 CDBDMO Cc1noc(CN2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000851876853 617693613 /nfs/dbraw/zinc/69/36/13/617693613.db2.gz QBJIAOIFLADZBS-MRVPVSSYSA-N 1 1 254.290 1.027 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893938222 618200355 /nfs/dbraw/zinc/20/03/55/618200355.db2.gz CIZJBCQRTWCXRB-KCJUWKMLSA-N 1 1 282.731 1.784 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000894489271 618915593 /nfs/dbraw/zinc/91/55/93/618915593.db2.gz UWNYZRMONGZAQI-VIFPVBQESA-N 1 1 267.333 1.613 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000903003320 625768147 /nfs/dbraw/zinc/76/81/47/625768147.db2.gz LPVWNIBHUREKQH-DGCLKSJQSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000903003320 625768150 /nfs/dbraw/zinc/76/81/50/625768150.db2.gz LPVWNIBHUREKQH-DGCLKSJQSA-N 1 1 298.314 1.768 20 5 CDBDMO CC(C)[N@H+](C)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000905057569 626607976 /nfs/dbraw/zinc/60/79/76/626607976.db2.gz SFPPYEFNUKXXIQ-UHFFFAOYSA-N 1 1 291.311 1.721 20 5 CDBDMO CC(C)[N@@H+](C)Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000905057569 626607977 /nfs/dbraw/zinc/60/79/77/626607977.db2.gz SFPPYEFNUKXXIQ-UHFFFAOYSA-N 1 1 291.311 1.721 20 5 CDBDMO C[N@H+]1CCC[C@H](CNCC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133067 626647350 /nfs/dbraw/zinc/64/73/50/626647350.db2.gz OTWUDNPJIBABAE-YPMHNXCESA-N 1 1 283.397 1.997 20 5 CDBDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCC[N+](=O)[O-] ZINC000905198910 626687449 /nfs/dbraw/zinc/68/74/49/626687449.db2.gz CLBVDPKWBSQNHH-GFCCVEGCSA-N 1 1 251.330 1.373 20 5 CDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCC[N+](=O)[O-] ZINC000905198910 626687455 /nfs/dbraw/zinc/68/74/55/626687455.db2.gz CLBVDPKWBSQNHH-GFCCVEGCSA-N 1 1 251.330 1.373 20 5 CDBDMO O=C(Nc1cc2n(n1)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001580762369 1172533775 /nfs/dbraw/zinc/53/37/75/1172533775.db2.gz RMFCVKLQHMZLJF-UHFFFAOYSA-N 1 1 287.279 1.147 20 5 CDBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603847627 1175652837 /nfs/dbraw/zinc/65/28/37/1175652837.db2.gz RMYMWCZIXVXRDF-DTORHVGOSA-N 1 1 288.311 1.758 20 5 CDBDMO COc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164631840 719191864 /nfs/dbraw/zinc/19/18/64/719191864.db2.gz CMNLFPRZJSEXPP-ZJUUUORDSA-N 1 1 280.328 1.527 20 5 CDBDMO O=[N+]([O-])c1cc(C[NH2+]CCS(=O)(=O)C2CC2)cs1 ZINC000840964964 742703188 /nfs/dbraw/zinc/70/31/88/742703188.db2.gz UUFUENRLARJJJG-UHFFFAOYSA-N 1 1 290.366 1.323 20 5 CDBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000930199856 739283590 /nfs/dbraw/zinc/28/35/90/739283590.db2.gz AQLJZYVJHOESBG-LBPRGKRZSA-N 1 1 295.339 1.129 20 5 CDBDMO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330294 739455744 /nfs/dbraw/zinc/45/57/44/739455744.db2.gz BOYQKPOOMFZVHP-ZKYQVNSYSA-N 1 1 279.340 1.297 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882958598 739834002 /nfs/dbraw/zinc/83/40/02/739834002.db2.gz FOGFQHOUQOOFLG-QMMMGPOBSA-N 1 1 254.265 1.635 20 5 CDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315247 739949390 /nfs/dbraw/zinc/94/93/90/739949390.db2.gz CKKGKSRGXLGSGP-CHWSQXEVSA-N 1 1 276.340 1.658 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642020 740059265 /nfs/dbraw/zinc/05/92/65/740059265.db2.gz WFMOGVMOZCJAKQ-MFKMUULPSA-N 1 1 268.313 1.595 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000882477185 740227487 /nfs/dbraw/zinc/22/74/87/740227487.db2.gz IJBWSKYTXQTJCL-NSHDSACASA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC=CCC2)nc2ccccn21 ZINC000795253553 740494812 /nfs/dbraw/zinc/49/48/12/740494812.db2.gz XQEDDDGQNQECAJ-UHFFFAOYSA-N 1 1 287.323 1.916 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241253 740842104 /nfs/dbraw/zinc/84/21/04/740842104.db2.gz GRONEYIZHWKWJP-CABCVRRESA-N 1 1 294.351 1.985 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241253 740842106 /nfs/dbraw/zinc/84/21/06/740842106.db2.gz GRONEYIZHWKWJP-CABCVRRESA-N 1 1 294.351 1.985 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000882477183 741196268 /nfs/dbraw/zinc/19/62/68/741196268.db2.gz IJBWSKYTXQTJCL-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000847016594 741321201 /nfs/dbraw/zinc/32/12/01/741321201.db2.gz LQNNPKZKMQHJNP-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886325863 741442542 /nfs/dbraw/zinc/44/25/42/741442542.db2.gz SSLMWLKUAPUJRA-LOWVWBTDSA-N 1 1 278.308 1.286 20 5 CDBDMO Cc1ccc(-c2noc(C3([NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000843179160 741487819 /nfs/dbraw/zinc/48/78/19/741487819.db2.gz YIFPSMWBQJHUTG-UHFFFAOYSA-N 1 1 260.253 1.901 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000931740727 742438702 /nfs/dbraw/zinc/43/87/02/742438702.db2.gz FIRMCDHXFSXXIQ-LLVKDONJSA-N 1 1 287.360 1.594 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000931740727 742438708 /nfs/dbraw/zinc/43/87/08/742438708.db2.gz FIRMCDHXFSXXIQ-LLVKDONJSA-N 1 1 287.360 1.594 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000776770306 742375876 /nfs/dbraw/zinc/37/58/76/742375876.db2.gz SNSLLHNYMSRUKQ-CYBMUJFWSA-N 1 1 280.328 1.640 20 5 CDBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928565314 739364103 /nfs/dbraw/zinc/36/41/03/739364103.db2.gz CENMYNMAJOACBA-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928565314 739364096 /nfs/dbraw/zinc/36/40/96/739364096.db2.gz CENMYNMAJOACBA-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000839529668 739578745 /nfs/dbraw/zinc/57/87/45/739578745.db2.gz VBFXISAWFJMJAD-DDHJBXDOSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000839529668 739578749 /nfs/dbraw/zinc/57/87/49/739578749.db2.gz VBFXISAWFJMJAD-DDHJBXDOSA-N 1 1 269.345 1.031 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000839529668 739578752 /nfs/dbraw/zinc/57/87/52/739578752.db2.gz VBFXISAWFJMJAD-DDHJBXDOSA-N 1 1 269.345 1.031 20 5 CDBDMO COc1cccc(C[N@H+](CC[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000929348494 739854903 /nfs/dbraw/zinc/85/49/03/739854903.db2.gz YRDCPBFWTUJMKT-OAHLLOKOSA-N 1 1 294.351 1.953 20 5 CDBDMO COc1cccc(C[N@@H+](CC[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000929348494 739854904 /nfs/dbraw/zinc/85/49/04/739854904.db2.gz YRDCPBFWTUJMKT-OAHLLOKOSA-N 1 1 294.351 1.953 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000930812910 740014926 /nfs/dbraw/zinc/01/49/26/740014926.db2.gz VSFKNODHPBFNGH-ZDUSSCGKSA-N 1 1 250.298 1.029 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000930812910 740014918 /nfs/dbraw/zinc/01/49/18/740014918.db2.gz VSFKNODHPBFNGH-ZDUSSCGKSA-N 1 1 250.298 1.029 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712323329 740384361 /nfs/dbraw/zinc/38/43/61/740384361.db2.gz LGCDTKKSHZFHKY-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000712323329 740384353 /nfs/dbraw/zinc/38/43/53/740384353.db2.gz LGCDTKKSHZFHKY-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000251777467 740612178 /nfs/dbraw/zinc/61/21/78/740612178.db2.gz RISTWPCAPUFTJM-NOZJJQNGSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@H]1O ZINC000251777467 740612189 /nfs/dbraw/zinc/61/21/89/740612189.db2.gz RISTWPCAPUFTJM-NOZJJQNGSA-N 1 1 295.295 1.706 20 5 CDBDMO CNc1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861385263 740815892 /nfs/dbraw/zinc/81/58/92/740815892.db2.gz PRUCCXLDXZOTKM-UHFFFAOYSA-N 1 1 279.296 1.499 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000776591357 741029199 /nfs/dbraw/zinc/02/91/99/741029199.db2.gz OBFSZVBSRCNDPY-KGLIPLIRSA-N 1 1 296.367 1.967 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000929805580 741078101 /nfs/dbraw/zinc/07/81/01/741078101.db2.gz FXADRVADXVFKKN-HNNXBMFYSA-N 1 1 278.352 1.987 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000797520890 741331225 /nfs/dbraw/zinc/33/12/25/741331225.db2.gz OIABWKOQVBQGHX-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000797520890 741331230 /nfs/dbraw/zinc/33/12/30/741331230.db2.gz OIABWKOQVBQGHX-SMDDNHRTSA-N 1 1 278.308 1.418 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348434 741726129 /nfs/dbraw/zinc/72/61/29/741726129.db2.gz GDGPACGPJBMAQG-YPMHNXCESA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987491 741887354 /nfs/dbraw/zinc/88/73/54/741887354.db2.gz FHIMYSZSPTVOHZ-RNCFNFMXSA-N 1 1 262.313 1.317 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931662230 742259580 /nfs/dbraw/zinc/25/95/80/742259580.db2.gz DUXUIVSSNXLIAL-NSHDSACASA-N 1 1 281.287 1.348 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473774 742381212 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N[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899202 912036928 /nfs/dbraw/zinc/03/69/28/912036928.db2.gz MDFGHOARLAVYQG-ZIAGYGMSSA-N 1 1 275.352 1.875 20 5 CDBDMO Cc1c(F)cc([N+](=O)[O-])cc1-n1cnc(C[NH3+])n1 ZINC001168756488 922759663 /nfs/dbraw/zinc/75/96/63/922759663.db2.gz MUWQWPLLDCSGJT-UHFFFAOYSA-N 1 1 251.221 1.082 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005926 927609611 /nfs/dbraw/zinc/60/96/11/927609611.db2.gz DHZPEUIQASJJRO-TUAOUCFPSA-N 1 1 270.329 1.317 20 5 CDBDMO C[C@]1(O)CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006831 927610779 /nfs/dbraw/zinc/61/07/79/927610779.db2.gz JNOKVXAQOPFIHC-AVGNSLFASA-N 1 1 256.346 1.669 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011257 927616186 /nfs/dbraw/zinc/61/61/86/927616186.db2.gz IZACILMSOQLHGS-KXNHARMFSA-N 1 1 252.314 1.628 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@](F)(CO)CC2)C1 ZINC001169010520 927616970 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O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cn[nH]c1)CCO2 ZINC000459495182 285141956 /nfs/dbraw/zinc/14/19/56/285141956.db2.gz DKSKGXJOHLPZQW-UHFFFAOYSA-N 1 1 288.307 1.755 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402581 195226814 /nfs/dbraw/zinc/22/68/14/195226814.db2.gz NQKTWJMXHPWFDD-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO C[C@@H](O)C[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336811175 390200296 /nfs/dbraw/zinc/20/02/96/390200296.db2.gz LJGPIOKDWUWBAN-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336811175 390200299 /nfs/dbraw/zinc/20/02/99/390200299.db2.gz LJGPIOKDWUWBAN-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282487440 195624510 /nfs/dbraw/zinc/62/45/10/195624510.db2.gz VUDZKCOKCWUIDY-LLVKDONJSA-N 1 1 297.742 1.959 20 5 CDBDMO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282487440 195624512 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CDBDMO CN1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451626444 390635311 /nfs/dbraw/zinc/63/53/11/390635311.db2.gz FAVDBHMEPKVWNS-DOMZBBRYSA-N 1 1 291.351 1.610 20 5 CDBDMO CN1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451626444 390635313 /nfs/dbraw/zinc/63/53/13/390635313.db2.gz FAVDBHMEPKVWNS-DOMZBBRYSA-N 1 1 291.351 1.610 20 5 CDBDMO Cc1nc(NCCCC[N@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000413350131 391204551 /nfs/dbraw/zinc/20/45/51/391204551.db2.gz VKZYIOBDBNEIIO-UHFFFAOYSA-N 1 1 279.344 1.401 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345308468 391645671 /nfs/dbraw/zinc/64/56/71/391645671.db2.gz XMDKPQXOXFKPSQ-ONGXEEELSA-N 1 1 292.339 1.390 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921785 130131618 /nfs/dbraw/zinc/13/16/18/130131618.db2.gz UZUJNGGFZIHESV-COPLHBTASA-N 1 1 291.351 1.970 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](C)O ZINC000245923234 131089993 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CCOC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000459716260 392502617 /nfs/dbraw/zinc/50/26/17/392502617.db2.gz PXUAYDWVHDYCNY-GFCCVEGCSA-N 1 1 282.344 1.682 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000459737157 392503885 /nfs/dbraw/zinc/50/38/85/392503885.db2.gz HNOXBHWDMOMSSR-GFCCVEGCSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488225414 392791964 /nfs/dbraw/zinc/79/19/64/392791964.db2.gz AUQHHBQXVDLLEK-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000488225414 392791973 /nfs/dbraw/zinc/79/19/73/392791973.db2.gz AUQHHBQXVDLLEK-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@@H]1[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000419373477 392892213 /nfs/dbraw/zinc/89/22/13/392892213.db2.gz OICILMANOQWBLB-MXWKQRLJSA-N 1 1 252.318 1.768 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](CCO)CC2)n1 ZINC000421026256 392927575 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Cc1nn(C)c(NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000037647716 393223681 /nfs/dbraw/zinc/22/36/81/393223681.db2.gz DMSMUOYVACPUJB-VIFPVBQESA-N 1 1 253.306 1.000 20 5 CDBDMO CC[C@](C)(O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709405 393229055 /nfs/dbraw/zinc/22/90/55/393229055.db2.gz LGTJCNOUXOWRFT-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[C@](C)(O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709405 393229059 /nfs/dbraw/zinc/22/90/59/393229059.db2.gz LGTJCNOUXOWRFT-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000195442033 393214448 /nfs/dbraw/zinc/21/44/48/393214448.db2.gz DBZQAUKUYCCCMR-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639091 140322428 /nfs/dbraw/zinc/32/24/28/140322428.db2.gz JLROGEZBNFISDW-NWDGAFQWSA-N 1 1 292.339 1.573 20 5 CDBDMO Cc1ccnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675283 140322956 /nfs/dbraw/zinc/32/29/56/140322956.db2.gz ZELXOTZYJFOEAR-RYUDHWBXSA-N 1 1 292.339 1.573 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252883935 140329503 /nfs/dbraw/zinc/32/95/03/140329503.db2.gz VTZZUTQYCKSSBA-LEWSCRJBSA-N 1 1 292.335 1.806 20 5 CDBDMO C[C@]1(C[NH3+])CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000261755675 140384870 /nfs/dbraw/zinc/38/48/70/140384870.db2.gz QPWVYDJYZPHTCW-CQSZACIVSA-N 1 1 279.340 1.644 20 5 CDBDMO CC[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311430074 149212272 /nfs/dbraw/zinc/21/22/72/149212272.db2.gz QQNPTRWHKYCLFH-UHFFFAOYSA-N 1 1 281.341 1.963 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352658899 155327423 /nfs/dbraw/zinc/32/74/23/155327423.db2.gz KWGFSHSNTMVXFP-KGLIPLIRSA-N 1 1 280.324 1.819 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352668283 155341336 /nfs/dbraw/zinc/34/13/36/155341336.db2.gz QSPVNNXZDLJYDG-STQMWFEESA-N 1 1 250.298 1.940 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668691 155341774 /nfs/dbraw/zinc/34/17/74/155341774.db2.gz UIPODEHRWMTIAT-YPMHNXCESA-N 1 1 280.324 1.949 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000347045481 153392295 /nfs/dbraw/zinc/39/22/95/153392295.db2.gz NSPAZBGALTWQPD-GWCFXTLKSA-N 1 1 278.308 1.978 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352200964 155017168 /nfs/dbraw/zinc/01/71/68/155017168.db2.gz CKUPEXQTIBPWMB-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000375331429 160369566 /nfs/dbraw/zinc/36/95/66/160369566.db2.gz HBWXNTWCIRPETM-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355789707 157236039 /nfs/dbraw/zinc/23/60/39/157236039.db2.gz QUSYSMCOAHPPGK-LLVKDONJSA-N 1 1 281.360 1.244 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938782 157291070 /nfs/dbraw/zinc/29/10/70/157291070.db2.gz MJUPPNLWXNXFKW-UWVGGRQHSA-N 1 1 268.317 1.064 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938782 157291073 /nfs/dbraw/zinc/29/10/73/157291073.db2.gz MJUPPNLWXNXFKW-UWVGGRQHSA-N 1 1 268.317 1.064 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359523716 158276075 /nfs/dbraw/zinc/27/60/75/158276075.db2.gz ZLECUGSWWDFTGV-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[C@H](C)C1 ZINC000362149694 159084218 /nfs/dbraw/zinc/08/42/18/159084218.db2.gz NHXBWVSOHBZYMG-QWHCGFSZSA-N 1 1 296.371 1.928 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000373645370 160217973 /nfs/dbraw/zinc/21/79/73/160217973.db2.gz CRSCDZAFUVWTIZ-ZDUSSCGKSA-N 1 1 282.344 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912234 160326687 /nfs/dbraw/zinc/32/66/87/160326687.db2.gz NVTHVDTZMUJCMV-BXUZGUMPSA-N 1 1 289.335 1.761 20 5 CDBDMO C[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000020497600 171227032 /nfs/dbraw/zinc/22/70/32/171227032.db2.gz MMRYQXYTZPWUAB-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)CO ZINC000284797574 196133239 /nfs/dbraw/zinc/13/32/39/196133239.db2.gz OILAONUUDFHGNQ-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)CO ZINC000284797574 196133240 /nfs/dbraw/zinc/13/32/40/196133240.db2.gz OILAONUUDFHGNQ-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO C[C@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000284929577 196159921 /nfs/dbraw/zinc/15/99/21/196159921.db2.gz WCGZHZKVUBMWMA-SNVBAGLBSA-N 1 1 254.286 1.286 20 5 CDBDMO CN(C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000285421888 196279690 /nfs/dbraw/zinc/27/96/90/196279690.db2.gz VURORJSKMMEMSW-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO CN(C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000285421888 196279692 /nfs/dbraw/zinc/27/96/92/196279692.db2.gz VURORJSKMMEMSW-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1nn(CC[NH+]2CCCC2)cc1Br ZINC000040517309 174307626 /nfs/dbraw/zinc/30/76/26/174307626.db2.gz CLPQAJJSYFRRIY-UHFFFAOYSA-N 1 1 289.133 1.650 20 5 CDBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685243 175231305 /nfs/dbraw/zinc/23/13/05/175231305.db2.gz CLOPDCAJJYTCCD-GFCCVEGCSA-N 1 1 261.325 1.921 20 5 CDBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685243 175231307 /nfs/dbraw/zinc/23/13/07/175231307.db2.gz CLOPDCAJJYTCCD-GFCCVEGCSA-N 1 1 261.325 1.921 20 5 CDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078543544 177352484 /nfs/dbraw/zinc/35/24/84/177352484.db2.gz SLVMSAHQRJFCTK-NSHDSACASA-N 1 1 279.344 1.038 20 5 CDBDMO Cc1cnc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1 ZINC000078663128 177367747 /nfs/dbraw/zinc/36/77/47/177367747.db2.gz PKZAGCQAZWRLLF-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995985 277083422 /nfs/dbraw/zinc/08/34/22/277083422.db2.gz JWIWRPJQSGFBKI-QWHCGFSZSA-N 1 1 293.371 1.207 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000301699492 277084703 /nfs/dbraw/zinc/08/47/03/277084703.db2.gz DYGKSDNJVUKHRG-WCQYABFASA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000048921610 279165025 /nfs/dbraw/zinc/16/50/25/279165025.db2.gz RUJAWBKOBFOEOO-GHMZBOCLSA-N 1 1 281.360 1.861 20 5 CDBDMO CN(C(=O)C[N@@H+](C)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000077194531 279228943 /nfs/dbraw/zinc/22/89/43/279228943.db2.gz CPSDQZYCBUJEGS-UHFFFAOYSA-N 1 1 277.324 1.899 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344910 279306147 /nfs/dbraw/zinc/30/61/47/279306147.db2.gz ZXIKDLXQOXDJNR-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C2CC2)n1 ZINC000368403130 280376885 /nfs/dbraw/zinc/37/68/85/280376885.db2.gz AJWCDROCTRHOSY-LLVKDONJSA-N 1 1 250.302 1.666 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474450 281142037 /nfs/dbraw/zinc/14/20/37/281142037.db2.gz VTHDEPWRDRSPNV-QMMMGPOBSA-N 1 1 267.260 1.624 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154606047 289212548 /nfs/dbraw/zinc/21/25/48/289212548.db2.gz DAHILWRJSRDZCQ-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000552241060 290062199 /nfs/dbraw/zinc/06/21/99/290062199.db2.gz PYJUQSNCNMZSCI-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000552241060 290062200 /nfs/dbraw/zinc/06/22/00/290062200.db2.gz PYJUQSNCNMZSCI-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001168753729 1161511143 /nfs/dbraw/zinc/51/11/43/1161511143.db2.gz JFXGLCJJPHIART-UHFFFAOYSA-N 1 1 253.649 1.288 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1C1CC1 ZINC000177154617 533938866 /nfs/dbraw/zinc/93/88/66/533938866.db2.gz KWDGFXBPMGUIQY-BDAKNGLRSA-N 1 1 279.296 1.543 20 5 CDBDMO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421393 /nfs/dbraw/zinc/42/13/93/525421393.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421402 /nfs/dbraw/zinc/42/14/02/525421402.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 1 1 292.383 1.491 20 5 CDBDMO Cc1cc(C(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000338421195 526267150 /nfs/dbraw/zinc/26/71/50/526267150.db2.gz BVQPNJKXGSZQQE-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054985550 527490189 /nfs/dbraw/zinc/49/01/89/527490189.db2.gz XBELEPUCIMUVIE-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054985550 527490197 /nfs/dbraw/zinc/49/01/97/527490197.db2.gz XBELEPUCIMUVIE-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030493 575030624 /nfs/dbraw/zinc/03/06/24/575030624.db2.gz ROEIYVOGDCGVLQ-LLVKDONJSA-N 1 1 289.339 1.996 20 5 CDBDMO O=C(OCC[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770403995 575446208 /nfs/dbraw/zinc/44/62/08/575446208.db2.gz JKNPHEPHOTZACH-UHFFFAOYSA-N 1 1 294.307 1.943 20 5 CDBDMO CCOCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000771635317 575599729 /nfs/dbraw/zinc/59/97/29/575599729.db2.gz HEBCOBUUSBJCCM-UHFFFAOYSA-N 1 1 293.327 1.574 20 5 CDBDMO CCOCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000771635317 575599730 /nfs/dbraw/zinc/59/97/30/575599730.db2.gz HEBCOBUUSBJCCM-UHFFFAOYSA-N 1 1 293.327 1.574 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000765507699 576033135 /nfs/dbraw/zinc/03/31/35/576033135.db2.gz WIPWROJRBRSSKJ-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO COc1ccc(CN2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000761066835 576540435 /nfs/dbraw/zinc/54/04/35/576540435.db2.gz CQVDGUZUYPTASL-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000747986991 576891900 /nfs/dbraw/zinc/89/19/00/576891900.db2.gz RWFSSFANXSMTKT-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000747986991 576891902 /nfs/dbraw/zinc/89/19/02/576891902.db2.gz RWFSSFANXSMTKT-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082853 576975317 /nfs/dbraw/zinc/97/53/17/576975317.db2.gz SDHLELUDDAQUIY-GFCCVEGCSA-N 1 1 268.313 1.331 20 5 CDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC000933193827 617373024 /nfs/dbraw/zinc/37/30/24/617373024.db2.gz YOYAWEKUSUBUMW-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC000933193827 617373026 /nfs/dbraw/zinc/37/30/26/617373026.db2.gz YOYAWEKUSUBUMW-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000934021248 617860394 /nfs/dbraw/zinc/86/03/94/617860394.db2.gz MFVHGCSPACSIFU-NSHDSACASA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1cnc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941783 618204695 /nfs/dbraw/zinc/20/46/95/618204695.db2.gz WJLWHXJKOVEHGG-JQWIXIFHSA-N 1 1 262.313 1.439 20 5 CDBDMO CC1=NO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000895307642 619543108 /nfs/dbraw/zinc/54/31/08/619543108.db2.gz RNQDKPJLRQFNBX-LLVKDONJSA-N 1 1 267.260 1.988 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902250033 624608552 /nfs/dbraw/zinc/60/85/52/624608552.db2.gz UAKWARUKGRNHMU-JSGCOSHPSA-N 1 1 289.335 1.505 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902250033 624608555 /nfs/dbraw/zinc/60/85/55/624608555.db2.gz UAKWARUKGRNHMU-JSGCOSHPSA-N 1 1 289.335 1.505 20 5 CDBDMO NC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406562 624732164 /nfs/dbraw/zinc/73/21/64/624732164.db2.gz NYXLZUGNLVNGSL-QWRGUYRKSA-N 1 1 279.344 1.356 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000929675054 630706002 /nfs/dbraw/zinc/70/60/02/630706002.db2.gz AUSFNKWABFCPCF-LBPRGKRZSA-N 1 1 252.289 1.967 20 5 CDBDMO CCc1[nH+]c(C)cn1CCn1c(C)ncc1[N+](=O)[O-] ZINC000871681016 1165330172 /nfs/dbraw/zinc/33/01/72/1165330172.db2.gz RBTQEOONBVSGQF-UHFFFAOYSA-N 1 1 263.301 1.867 20 5 CDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC(C)(C)C[NH3+] ZINC001575923734 1171297868 /nfs/dbraw/zinc/29/78/68/1171297868.db2.gz OEMANRHIPRAFHW-SNVBAGLBSA-N 1 1 294.355 1.639 20 5 CDBDMO CN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001753188515 1185111283 /nfs/dbraw/zinc/11/12/83/1185111283.db2.gz WUYUEQXRADOFMD-VXGBXAGGSA-N 1 1 297.380 1.004 20 5 CDBDMO C[C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164630672 719152620 /nfs/dbraw/zinc/15/26/20/719152620.db2.gz LPECWWVWVIPVDZ-SFYZADRCSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164630672 719152624 /nfs/dbraw/zinc/15/26/24/719152624.db2.gz LPECWWVWVIPVDZ-SFYZADRCSA-N 1 1 285.735 1.567 20 5 CDBDMO COc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164639332 719187918 /nfs/dbraw/zinc/18/79/18/719187918.db2.gz RSYDDPDERVGKBX-ZJUUUORDSA-N 1 1 280.328 1.527 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634360 719221652 /nfs/dbraw/zinc/22/16/52/719221652.db2.gz GOUAKPHYEVVEQX-UWVGGRQHSA-N 1 1 289.339 2.000 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882479220 742864149 /nfs/dbraw/zinc/86/41/49/742864149.db2.gz QGQUMRBBXZIYAC-LBPRGKRZSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866885 743593127 /nfs/dbraw/zinc/59/31/27/743593127.db2.gz BPAYIKOKEPOYDJ-RYUDHWBXSA-N 1 1 280.328 1.416 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866885 743593145 /nfs/dbraw/zinc/59/31/45/743593145.db2.gz BPAYIKOKEPOYDJ-RYUDHWBXSA-N 1 1 280.328 1.416 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598034 743636632 /nfs/dbraw/zinc/63/66/32/743636632.db2.gz OMYVVPIDNGHMJR-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO CCc1nc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)co1 ZINC000819354047 745014141 /nfs/dbraw/zinc/01/41/41/745014141.db2.gz FTTHEWSKJNFRPP-ZDUSSCGKSA-N 1 1 291.307 1.968 20 5 CDBDMO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000106857702 745460753 /nfs/dbraw/zinc/46/07/53/745460753.db2.gz ODMGWDKKHWEBAT-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000106857702 745460756 /nfs/dbraw/zinc/46/07/56/745460756.db2.gz ODMGWDKKHWEBAT-GFCCVEGCSA-N 1 1 276.296 1.623 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882479219 745576125 /nfs/dbraw/zinc/57/61/25/745576125.db2.gz QGQUMRBBXZIYAC-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000929978053 745643733 /nfs/dbraw/zinc/64/37/33/745643733.db2.gz NNHFPWJCYIZJRF-CQSZACIVSA-N 1 1 264.325 1.635 20 5 CDBDMO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000133945049 745724531 /nfs/dbraw/zinc/72/45/31/745724531.db2.gz IEJHBJQYUIBDQQ-AAEUAGOBSA-N 1 1 279.340 1.451 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712324319 745800050 /nfs/dbraw/zinc/80/00/50/745800050.db2.gz WPPINERBKZTMKQ-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712324319 745800051 /nfs/dbraw/zinc/80/00/51/745800051.db2.gz WPPINERBKZTMKQ-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870877784 745867117 /nfs/dbraw/zinc/86/71/17/745867117.db2.gz NSURRYNIGLLPKC-YGRLFVJLSA-N 1 1 277.324 1.637 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000776277186 745939793 /nfs/dbraw/zinc/93/97/93/745939793.db2.gz LQSRGTCPIUFTAV-SNPRPXQTSA-N 1 1 294.351 1.721 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000779868334 746071981 /nfs/dbraw/zinc/07/19/81/746071981.db2.gz XOSSJRMOPUQAEP-NSHDSACASA-N 1 1 290.327 1.280 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000779868334 746071989 /nfs/dbraw/zinc/07/19/89/746071989.db2.gz XOSSJRMOPUQAEP-NSHDSACASA-N 1 1 290.327 1.280 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201210 746097536 /nfs/dbraw/zinc/09/75/36/746097536.db2.gz GCZPHOHFAJUSPM-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839685823 746185261 /nfs/dbraw/zinc/18/52/61/746185261.db2.gz YWPLCKIMLVUFTA-QJPTWQEYSA-N 1 1 269.345 1.032 20 5 CDBDMO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685823 746185271 /nfs/dbraw/zinc/18/52/71/746185271.db2.gz YWPLCKIMLVUFTA-QJPTWQEYSA-N 1 1 269.345 1.032 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685823 746185281 /nfs/dbraw/zinc/18/52/81/746185281.db2.gz YWPLCKIMLVUFTA-QJPTWQEYSA-N 1 1 269.345 1.032 20 5 CDBDMO CC[S@](=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865533102 746396333 /nfs/dbraw/zinc/39/63/33/746396333.db2.gz WRUUEEPOGWJEIT-FQEVSTJZSA-N 1 1 293.348 1.745 20 5 CDBDMO CSC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793797770 746573062 /nfs/dbraw/zinc/57/30/62/746573062.db2.gz RSOKWSVJUCJWTF-SNVBAGLBSA-N 1 1 270.358 1.824 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793797770 746573072 /nfs/dbraw/zinc/57/30/72/746573072.db2.gz RSOKWSVJUCJWTF-SNVBAGLBSA-N 1 1 270.358 1.824 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932006280 746746708 /nfs/dbraw/zinc/74/67/08/746746708.db2.gz JJBACSWYZVIQPY-JTQLQIEISA-N 1 1 296.298 1.929 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886218244 746896261 /nfs/dbraw/zinc/89/62/61/746896261.db2.gz QTIFUPONBJKXHP-CYBMUJFWSA-N 1 1 278.356 1.762 20 5 CDBDMO C[NH+](C)C1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496499 747020294 /nfs/dbraw/zinc/02/02/94/747020294.db2.gz MACWDCCZRFHOTO-UHFFFAOYSA-N 1 1 264.285 1.210 20 5 CDBDMO CCN(CC)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949210 747098249 /nfs/dbraw/zinc/09/82/49/747098249.db2.gz QWTFUXSPRNDLTC-ZDUSSCGKSA-N 1 1 265.313 1.637 20 5 CDBDMO C[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)[NH+](C)C ZINC000924092784 747238245 /nfs/dbraw/zinc/23/82/45/747238245.db2.gz IPYYPLHXIKLOSQ-ZCFIWIBFSA-N 1 1 252.230 1.860 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000843771236 747372577 /nfs/dbraw/zinc/37/25/77/747372577.db2.gz FTNYPRZSASDWTB-JTQLQIEISA-N 1 1 295.314 1.724 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000870956086 747674787 /nfs/dbraw/zinc/67/47/87/747674787.db2.gz GTJAQJGDYXTCBF-UEKVPHQBSA-N 1 1 289.335 1.637 20 5 CDBDMO COCC[N@@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000096537380 748035952 /nfs/dbraw/zinc/03/59/52/748035952.db2.gz CIHVIXRCWSASGD-UHFFFAOYSA-N 1 1 296.323 1.606 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223144 748225972 /nfs/dbraw/zinc/22/59/72/748225972.db2.gz HRXGTAKDNLFRQY-CYBMUJFWSA-N 1 1 265.313 1.848 20 5 CDBDMO O=[N+]([O-])c1cc(CO)c(NCC[N@@H+]2CC=CCC2)cc1F ZINC000865745360 748230973 /nfs/dbraw/zinc/23/09/73/748230973.db2.gz FDICKCCWHNCKDD-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482865 748290666 /nfs/dbraw/zinc/29/06/66/748290666.db2.gz IWHNHKXOHXCWMO-PWSUYJOCSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884482865 748290700 /nfs/dbraw/zinc/29/07/00/748290700.db2.gz IWHNHKXOHXCWMO-PWSUYJOCSA-N 1 1 266.301 1.250 20 5 CDBDMO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000172963072 749001059 /nfs/dbraw/zinc/00/10/59/749001059.db2.gz QQWNIDHZGHZVHV-UHFFFAOYSA-N 1 1 277.280 1.945 20 5 CDBDMO C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000172963072 749001066 /nfs/dbraw/zinc/00/10/66/749001066.db2.gz QQWNIDHZGHZVHV-UHFFFAOYSA-N 1 1 277.280 1.945 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001173221020 912305302 /nfs/dbraw/zinc/30/53/02/912305302.db2.gz FJGRNXVWHYRZER-KYOSRNDESA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2nncc2C1 ZINC001173234249 912327700 /nfs/dbraw/zinc/32/77/00/912327700.db2.gz QNBCYWXZRVVSFI-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2nncc2C1 ZINC001173234249 912327713 /nfs/dbraw/zinc/32/77/13/912327713.db2.gz QNBCYWXZRVVSFI-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO COc1ccc(CO[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001223651165 901826824 /nfs/dbraw/zinc/82/68/24/901826824.db2.gz SKLIGGZGIVVHMR-NSHDSACASA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666996 903643345 /nfs/dbraw/zinc/64/33/45/903643345.db2.gz NBHPLQJKZKLMPH-MRVPVSSYSA-N 1 1 253.258 1.168 20 5 CDBDMO [NH3+]Cc1ncn(-c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001168750295 922104310 /nfs/dbraw/zinc/10/43/10/922104310.db2.gz SUDUQOAPRCOIGY-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO CC(C)(C)OC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168964819 927586805 /nfs/dbraw/zinc/58/68/05/927586805.db2.gz WLMXJHWHFWBHHS-VHSXEESVSA-N 1 1 258.318 1.363 20 5 CDBDMO Cc1noc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168996033 927602513 /nfs/dbraw/zinc/60/25/13/927602513.db2.gz UGZXGWSVSOXQQQ-ZJUUUORDSA-N 1 1 266.301 1.402 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC001169005871 927607895 /nfs/dbraw/zinc/60/78/95/927607895.db2.gz DALRJLIGSBKSHK-VWYCJHECSA-N 1 1 278.299 1.381 20 5 CDBDMO C[NH+](C)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006836 927612596 /nfs/dbraw/zinc/61/25/96/927612596.db2.gz JQUZBXGEPYJUQT-WCQYABFASA-N 1 1 255.362 1.458 20 5 CDBDMO CN(C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006836 927612598 /nfs/dbraw/zinc/61/25/98/927612598.db2.gz JQUZBXGEPYJUQT-WCQYABFASA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](F)(CO)CC2)C1 ZINC001169010522 927618091 /nfs/dbraw/zinc/61/80/91/927618091.db2.gz CWOLODCJFKZKGL-JHJVBQTASA-N 1 1 274.336 1.618 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC[C@](O)(CF)C2)C1 ZINC001169013766 927620658 /nfs/dbraw/zinc/62/06/58/927620658.db2.gz WHXHBPDTYRUUSO-AGIUHOORSA-N 1 1 274.336 1.618 20 5 CDBDMO CCOC(=O)[C@H](CC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987191 927622843 /nfs/dbraw/zinc/62/28/43/927622843.db2.gz HIKCZULMTQSZGW-DCAQKATOSA-N 1 1 258.318 1.363 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037774 927646588 /nfs/dbraw/zinc/64/65/88/927646588.db2.gz UEGYUCDWKFWRQN-RRFJBIMHSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001169037774 927646593 /nfs/dbraw/zinc/64/65/93/927646593.db2.gz UEGYUCDWKFWRQN-RRFJBIMHSA-N 1 1 281.400 1.992 20 5 CDBDMO CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039021 927650379 /nfs/dbraw/zinc/65/03/79/927650379.db2.gz MJYKBFDKVQOIHH-VOAKCMCISA-N 1 1 254.330 1.685 20 5 CDBDMO CC[N@@H+](CCN1CCOCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039882 927653481 /nfs/dbraw/zinc/65/34/81/927653481.db2.gz VIIGUQZHZDPZDO-KBPBESRZSA-N 1 1 285.388 1.086 20 5 CDBDMO CC[N@H+](C)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049586 927666977 /nfs/dbraw/zinc/66/69/77/927666977.db2.gz WOIIXERJQPHXHI-GXTWGEPZSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+](C)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049586 927666981 /nfs/dbraw/zinc/66/69/81/927666981.db2.gz WOIIXERJQPHXHI-GXTWGEPZSA-N 1 1 269.389 1.848 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056328 927671350 /nfs/dbraw/zinc/67/13/50/927671350.db2.gz RVJXZZXNDGCNCA-CKIKVBCHSA-N 1 1 282.340 1.458 20 5 CDBDMO COC(=O)[C@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057696 927675612 /nfs/dbraw/zinc/67/56/12/927675612.db2.gz XBBSSQIAIGRJFE-BJDJZHNGSA-N 1 1 270.329 1.173 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001170901311 930696733 /nfs/dbraw/zinc/69/67/33/930696733.db2.gz ZAYONURYWSXBQI-MRVPVSSYSA-N 1 1 282.329 1.035 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001156389403 938362236 /nfs/dbraw/zinc/36/22/36/938362236.db2.gz PFAAWLLOFLLKLL-JTQLQIEISA-N 1 1 279.344 1.716 20 5 CDBDMO Cc1nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283243 938475198 /nfs/dbraw/zinc/47/51/98/938475198.db2.gz TVSDMFGHMOOIET-ZYHUDNBSSA-N 1 1 277.328 1.224 20 5 CDBDMO O=C(NCCC[NH2+]CC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767579 938542848 /nfs/dbraw/zinc/54/28/48/938542848.db2.gz RDSXLZBJRJJAQG-ZIAGYGMSSA-N 1 1 297.399 1.718 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158424214 938622554 /nfs/dbraw/zinc/62/25/54/938622554.db2.gz CPPSCTRFSSJLEK-MRVPVSSYSA-N 1 1 268.704 1.538 20 5 CDBDMO COc1nc(N[C@]2(C)CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001162340519 939029594 /nfs/dbraw/zinc/02/95/94/939029594.db2.gz DDHTXGQIRLBDRW-CYBMUJFWSA-N 1 1 280.328 1.895 20 5 CDBDMO COc1ncc(Nc2c(N)cc[nH+]c2OC)cc1[N+](=O)[O-] ZINC001210136322 940665963 /nfs/dbraw/zinc/66/59/63/940665963.db2.gz IOOIFVLRWPMCLD-UHFFFAOYSA-N 1 1 291.267 1.728 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001222789334 941634700 /nfs/dbraw/zinc/63/47/00/941634700.db2.gz KJNBODMQQLFVDK-LBPRGKRZSA-N 1 1 280.324 1.832 20 5 CDBDMO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225628518 941890261 /nfs/dbraw/zinc/89/02/61/941890261.db2.gz PFKKIJTUHNCSPM-UHFFFAOYSA-N 1 1 251.286 1.851 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225628804 941890431 /nfs/dbraw/zinc/89/04/31/941890431.db2.gz WFONQJQRTOXTJD-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166949 941961568 /nfs/dbraw/zinc/96/15/68/941961568.db2.gz APCSUQHORHPYGH-JTQLQIEISA-N 1 1 279.296 1.167 20 5 CDBDMO COC(=O)c1ccc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227295062 942164128 /nfs/dbraw/zinc/16/41/28/942164128.db2.gz ISYRFGHALNURNY-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228768819 942373064 /nfs/dbraw/zinc/37/30/64/942373064.db2.gz MSIVDRXXHDPTPQ-GFCCVEGCSA-N 1 1 294.307 1.854 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451987 942476576 /nfs/dbraw/zinc/47/65/76/942476576.db2.gz LOSVGGGERQSBGG-JTQLQIEISA-N 1 1 267.285 1.090 20 5 CDBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229941074 942554365 /nfs/dbraw/zinc/55/43/65/942554365.db2.gz HTBCDJDBNIVVNP-MRVPVSSYSA-N 1 1 298.270 1.603 20 5 CDBDMO COc1ccc2nc(=O)[nH]c(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001230861457 942717223 /nfs/dbraw/zinc/71/72/23/942717223.db2.gz AORXIYQOXOSPML-JTQLQIEISA-O 1 1 292.359 1.818 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC001333179118 958133321 /nfs/dbraw/zinc/13/33/21/958133321.db2.gz REODKMHPWHNNOL-UHFFFAOYSA-N 1 1 250.254 1.271 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC001334784805 959361394 /nfs/dbraw/zinc/36/13/94/959361394.db2.gz XZVNROSGLQOYOA-UHFFFAOYSA-N 1 1 250.298 1.247 20 5 CDBDMO CC[N@@H+](CCCNCC[N+](=O)[O-])C1CCCCC1 ZINC001335443590 959805491 /nfs/dbraw/zinc/80/54/91/959805491.db2.gz GWWULMWBWJJEFV-UHFFFAOYSA-N 1 1 257.378 1.897 20 5 CDBDMO C[NH+](C)[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406614 961783487 /nfs/dbraw/zinc/78/34/87/961783487.db2.gz BJNZXSVCCQXXER-LSDHHAIUSA-N 1 1 293.367 1.558 20 5 CDBDMO C[C@H](NC(=O)[C@H]1CSC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342594142 963772764 /nfs/dbraw/zinc/77/27/64/963772764.db2.gz ZERFSINOVCUQGO-GZMMTYOYSA-N 1 1 281.337 1.435 20 5 CDBDMO CC(C)(COC(=O)c1ccn(-c2cc[nH+]cc2)n1)[N+](=O)[O-] ZINC001343845080 964155776 /nfs/dbraw/zinc/15/57/76/964155776.db2.gz PUPZVYOGFXKARX-UHFFFAOYSA-N 1 1 290.279 1.479 20 5 CDBDMO COC(=O)c1ccnc(NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001351926903 967031090 /nfs/dbraw/zinc/03/10/90/967031090.db2.gz JRFMRKQAQJIEKX-UHFFFAOYSA-N 1 1 292.295 1.060 20 5 CDBDMO CCN(CCOC)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577725967 1171730333 /nfs/dbraw/zinc/73/03/33/1171730333.db2.gz YMWHUURKHHIMBK-AWEZNQCLSA-N 1 1 295.339 1.264 20 5 CDBDMO O=C(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)NC1CC1 ZINC000601100837 342464034 /nfs/dbraw/zinc/46/40/34/342464034.db2.gz IIXMJYDBPHDFTP-UHFFFAOYSA-N 1 1 286.291 1.255 20 5 CDBDMO CC[C@@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601176343 342486859 /nfs/dbraw/zinc/48/68/59/342486859.db2.gz VLBRJKWWUILJMQ-SNVBAGLBSA-N 1 1 261.281 1.748 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599202629 343980855 /nfs/dbraw/zinc/98/08/55/343980855.db2.gz RDNIUMDZPPOYQY-VIFPVBQESA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599202629 343980856 /nfs/dbraw/zinc/98/08/56/343980856.db2.gz RDNIUMDZPPOYQY-VIFPVBQESA-N 1 1 285.731 1.727 20 5 CDBDMO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000590660545 342581490 /nfs/dbraw/zinc/58/14/90/342581490.db2.gz FHKAXDWQCDSKFL-JTQLQIEISA-N 1 1 295.339 1.406 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000592493335 342696663 /nfs/dbraw/zinc/69/66/63/342696663.db2.gz LSLDOJTVULJXGJ-LLVKDONJSA-N 1 1 279.344 1.038 20 5 CDBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830951 342741488 /nfs/dbraw/zinc/74/14/88/342741488.db2.gz JCNANGNTJCJVHZ-SNVBAGLBSA-N 1 1 281.312 1.744 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000594016812 342865913 /nfs/dbraw/zinc/86/59/13/342865913.db2.gz IXCXSSCCPCIDTF-LLVKDONJSA-N 1 1 268.317 1.028 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594601290 342923894 /nfs/dbraw/zinc/92/38/94/342923894.db2.gz NICQIZYANLEYHZ-MNOVXSKESA-N 1 1 279.344 1.757 20 5 CDBDMO Cc1noc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595505758 343080223 /nfs/dbraw/zinc/08/02/23/343080223.db2.gz VNHIUGDZHDFJCC-DTORHVGOSA-N 1 1 268.317 1.416 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595767823 343145981 /nfs/dbraw/zinc/14/59/81/343145981.db2.gz DCOAZLQTXDZHPK-ZYHUDNBSSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697460 343124999 /nfs/dbraw/zinc/12/49/99/343124999.db2.gz LISWWRLKZFGVPN-YPMHNXCESA-N 1 1 282.344 1.274 20 5 CDBDMO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595783168 343155381 /nfs/dbraw/zinc/15/53/81/343155381.db2.gz OACSFOBEMWKSNJ-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595783168 343155382 /nfs/dbraw/zinc/15/53/82/343155382.db2.gz OACSFOBEMWKSNJ-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482706 343327864 /nfs/dbraw/zinc/32/78/64/343327864.db2.gz UNDSARYLPNWCLR-SECBINFHSA-N 1 1 266.301 1.137 20 5 CDBDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000090885742 342396163 /nfs/dbraw/zinc/39/61/63/342396163.db2.gz QOQCHSIUHPLXSE-QMTHXVAHSA-N 1 1 290.323 1.713 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000090525106 342396337 /nfs/dbraw/zinc/39/63/37/342396337.db2.gz HLLCGSWUXNHNFR-UHFFFAOYSA-N 1 1 267.329 1.734 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000093345243 342424478 /nfs/dbraw/zinc/42/44/78/342424478.db2.gz IXSDYKPTXMANLM-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000093345243 342424479 /nfs/dbraw/zinc/42/44/79/342424479.db2.gz IXSDYKPTXMANLM-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301722975 282272546 /nfs/dbraw/zinc/27/25/46/282272546.db2.gz RXWNYEIDPBRKND-RYUDHWBXSA-N 1 1 293.371 1.557 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925730 343663354 /nfs/dbraw/zinc/66/33/54/343663354.db2.gz QLTNPELHSCWZRL-VIFPVBQESA-N 1 1 281.312 1.790 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000598341408 343770469 /nfs/dbraw/zinc/77/04/69/343770469.db2.gz AYUOUOSSZJLZQN-SECBINFHSA-N 1 1 295.343 1.094 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342212 343771230 /nfs/dbraw/zinc/77/12/30/343771230.db2.gz KKIVWYAEFVXFFO-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000599175665 343965522 /nfs/dbraw/zinc/96/55/22/343965522.db2.gz GZMKMATWGAUOMP-SNVBAGLBSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(NCC[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000599176326 343966208 /nfs/dbraw/zinc/96/62/08/343966208.db2.gz QWMJLUSKPADDBX-SECBINFHSA-N 1 1 287.266 1.352 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(NCC[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000599176326 343966211 /nfs/dbraw/zinc/96/62/11/343966211.db2.gz QWMJLUSKPADDBX-SECBINFHSA-N 1 1 287.266 1.352 20 5 CDBDMO COCC(COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602684300 344530413 /nfs/dbraw/zinc/53/04/13/344530413.db2.gz VGDHLRBORWNUOU-UHFFFAOYSA-N 1 1 295.295 1.487 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864185 344637502 /nfs/dbraw/zinc/63/75/02/344637502.db2.gz NDWRGFXUYIFNEL-STQMWFEESA-N 1 1 296.371 1.989 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864185 344637505 /nfs/dbraw/zinc/63/75/05/344637505.db2.gz NDWRGFXUYIFNEL-STQMWFEESA-N 1 1 296.371 1.989 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343784127 362520674 /nfs/dbraw/zinc/52/06/74/362520674.db2.gz QAOOFNGDODBSRX-JTQLQIEISA-N 1 1 267.304 1.870 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@@H+](CCCO)C2)cs1 ZINC000295109281 199349906 /nfs/dbraw/zinc/34/99/06/199349906.db2.gz LLFMHMVRKZNRMF-GFCCVEGCSA-N 1 1 299.396 1.593 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000295109281 199349908 /nfs/dbraw/zinc/34/99/08/199349908.db2.gz LLFMHMVRKZNRMF-GFCCVEGCSA-N 1 1 299.396 1.593 20 5 CDBDMO O=C(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])NC1CC1 ZINC000084439814 178888972 /nfs/dbraw/zinc/88/89/72/178888972.db2.gz UERSDXZKXQDMCE-UHFFFAOYSA-N 1 1 283.715 1.616 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000265819782 362608081 /nfs/dbraw/zinc/60/80/81/362608081.db2.gz RTZYGQMGOAHQQY-UHFFFAOYSA-N 1 1 254.286 1.036 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894844 346037141 /nfs/dbraw/zinc/03/71/41/346037141.db2.gz FDWZWISWZXPQPO-LBPRGKRZSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000611088255 346602273 /nfs/dbraw/zinc/60/22/73/346602273.db2.gz MBJPQSWCOYSSOR-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000611088255 346602279 /nfs/dbraw/zinc/60/22/79/346602279.db2.gz MBJPQSWCOYSSOR-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308605 192107922 /nfs/dbraw/zinc/10/79/22/192107922.db2.gz IFMGZWGBZJDNRI-NWDGAFQWSA-N 1 1 296.323 1.055 20 5 CDBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000614832339 348244221 /nfs/dbraw/zinc/24/42/21/348244221.db2.gz UDBDJGMVLPHZSM-JTQLQIEISA-N 1 1 299.396 1.938 20 5 CDBDMO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000614832339 348244222 /nfs/dbraw/zinc/24/42/22/348244222.db2.gz UDBDJGMVLPHZSM-JTQLQIEISA-N 1 1 299.396 1.938 20 5 CDBDMO CC[N@@H+](CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273397689 192138125 /nfs/dbraw/zinc/13/81/25/192138125.db2.gz VVTDPPHXVUJBET-GFCCVEGCSA-N 1 1 298.339 1.039 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066958259 349007612 /nfs/dbraw/zinc/00/76/12/349007612.db2.gz YROBZNGVWIINEP-UHFFFAOYSA-N 1 1 251.286 1.276 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663760 350705841 /nfs/dbraw/zinc/70/58/41/350705841.db2.gz OHGNNLPBQOEFQO-VIFPVBQESA-N 1 1 265.317 1.326 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000271652149 191259842 /nfs/dbraw/zinc/25/98/42/191259842.db2.gz SFHJRRVXKQBNBB-ZDUSSCGKSA-N 1 1 292.339 1.347 20 5 CDBDMO [NH3+][C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000157846051 188342616 /nfs/dbraw/zinc/34/26/16/188342616.db2.gz HUSSMXYPBUDEFI-MRVPVSSYSA-N 1 1 289.295 1.034 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000265225692 363252291 /nfs/dbraw/zinc/25/22/91/363252291.db2.gz OFSXHUPKSCPIIO-MNOVXSKESA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000265225692 363252297 /nfs/dbraw/zinc/25/22/97/363252297.db2.gz OFSXHUPKSCPIIO-MNOVXSKESA-N 1 1 293.323 1.297 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839628 366159312 /nfs/dbraw/zinc/15/93/12/366159312.db2.gz IFQSMYHTDFJCBU-CABCVRRESA-N 1 1 291.351 1.548 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286203038 356234063 /nfs/dbraw/zinc/23/40/63/356234063.db2.gz BBTGCYZUDBWUPS-ULKQDVFKSA-N 1 1 292.343 1.028 20 5 CDBDMO C[C@H](O)C[N@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336811176 356273220 /nfs/dbraw/zinc/27/32/20/356273220.db2.gz LJGPIOKDWUWBAN-VIFPVBQESA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336811176 356273223 /nfs/dbraw/zinc/27/32/23/356273223.db2.gz LJGPIOKDWUWBAN-VIFPVBQESA-N 1 1 288.731 1.423 20 5 CDBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000046054766 357133867 /nfs/dbraw/zinc/13/38/67/357133867.db2.gz PNNDLJMRARDBCX-UHFFFAOYSA-N 1 1 281.312 1.169 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249038 357425437 /nfs/dbraw/zinc/42/54/37/357425437.db2.gz BPDWVVPHNSXPMY-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000185621408 357561232 /nfs/dbraw/zinc/56/12/32/357561232.db2.gz YPAMSRNTKQFGPX-AAEUAGOBSA-N 1 1 279.340 1.877 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360983875 357764210 /nfs/dbraw/zinc/76/42/10/357764210.db2.gz IAKNUUSPMMJORW-PWSUYJOCSA-N 1 1 295.387 1.896 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361362261 358170033 /nfs/dbraw/zinc/17/00/33/358170033.db2.gz QOYZZXVDKISEMR-ZDUSSCGKSA-N 1 1 293.323 1.644 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c1 ZINC000193366458 358290599 /nfs/dbraw/zinc/29/05/99/358290599.db2.gz WIYFPCYYUDSSBR-UHFFFAOYSA-N 1 1 280.328 1.311 20 5 CDBDMO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000193406842 358292467 /nfs/dbraw/zinc/29/24/67/358292467.db2.gz OISHBNVHHZDSIP-LLVKDONJSA-N 1 1 293.371 1.225 20 5 CDBDMO Cc1cnc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294842986 199208652 /nfs/dbraw/zinc/20/86/52/199208652.db2.gz ADAWZRZWXLWOAP-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228230 358450645 /nfs/dbraw/zinc/45/06/45/358450645.db2.gz WKYMWYHPDWTEKD-SKDRFNHKSA-N 1 1 280.328 1.335 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000592996246 358606743 /nfs/dbraw/zinc/60/67/43/358606743.db2.gz AYGCOOWAFGBFCE-NSHDSACASA-N 1 1 263.297 1.305 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000592996246 358606745 /nfs/dbraw/zinc/60/67/45/358606745.db2.gz AYGCOOWAFGBFCE-NSHDSACASA-N 1 1 263.297 1.305 20 5 CDBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581588 358666383 /nfs/dbraw/zinc/66/63/83/358666383.db2.gz HDDNINNHMZTCOS-GHMZBOCLSA-N 1 1 265.313 1.487 20 5 CDBDMO CC[C@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])s1 ZINC000450833406 359013329 /nfs/dbraw/zinc/01/33/29/359013329.db2.gz SUSVFHISOGUMKW-VIFPVBQESA-N 1 1 270.358 1.972 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])s1 ZINC000450833406 359013330 /nfs/dbraw/zinc/01/33/30/359013330.db2.gz SUSVFHISOGUMKW-VIFPVBQESA-N 1 1 270.358 1.972 20 5 CDBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000050418329 359794733 /nfs/dbraw/zinc/79/47/33/359794733.db2.gz LKQMLAARVMCHTC-JTQLQIEISA-N 1 1 291.311 1.453 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1F ZINC000367305596 361286436 /nfs/dbraw/zinc/28/64/36/361286436.db2.gz PCVZCQQXYUAYTH-LLVKDONJSA-N 1 1 291.286 1.772 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1F ZINC000367305596 361286440 /nfs/dbraw/zinc/28/64/40/361286440.db2.gz PCVZCQQXYUAYTH-LLVKDONJSA-N 1 1 291.286 1.772 20 5 CDBDMO Cn1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000345616677 361265631 /nfs/dbraw/zinc/26/56/31/361265631.db2.gz HCMDIMYFRAWLLW-SNVBAGLBSA-N 1 1 292.339 1.147 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000580692145 363938151 /nfs/dbraw/zinc/93/81/51/363938151.db2.gz YJUIJZJTYUICTK-TZMCWYRMSA-N 1 1 280.324 1.078 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000345853413 364043030 /nfs/dbraw/zinc/04/30/30/364043030.db2.gz OCEZZRUJEDZKBQ-WDEREUQCSA-N 1 1 292.339 1.290 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340925238 364280766 /nfs/dbraw/zinc/28/07/66/364280766.db2.gz IRQNCOGIVKEYMW-JOYOIKCWSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340925238 364280769 /nfs/dbraw/zinc/28/07/69/364280769.db2.gz IRQNCOGIVKEYMW-JOYOIKCWSA-N 1 1 266.297 1.559 20 5 CDBDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361145 367132102 /nfs/dbraw/zinc/13/21/02/367132102.db2.gz CBPFJQADDWBGFM-NEPJUHHUSA-N 1 1 291.355 1.614 20 5 CDBDMO Cn1nccc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000348384019 367240819 /nfs/dbraw/zinc/24/08/19/367240819.db2.gz ZYXLSNZIUDFWSC-UHFFFAOYSA-N 1 1 290.323 1.839 20 5 CDBDMO Cn1nccc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000348384019 367240823 /nfs/dbraw/zinc/24/08/23/367240823.db2.gz ZYXLSNZIUDFWSC-UHFFFAOYSA-N 1 1 290.323 1.839 20 5 CDBDMO CNC(=O)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272375470 367714762 /nfs/dbraw/zinc/71/47/62/367714762.db2.gz VEZPHMXBSYWJHU-JTQLQIEISA-N 1 1 265.313 1.642 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272375470 367714766 /nfs/dbraw/zinc/71/47/66/367714766.db2.gz VEZPHMXBSYWJHU-JTQLQIEISA-N 1 1 265.313 1.642 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000272623016 367783415 /nfs/dbraw/zinc/78/34/15/367783415.db2.gz VABKVNGNVWJDCY-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000170734324 368854081 /nfs/dbraw/zinc/85/40/81/368854081.db2.gz NUBWRWPKNUSTGF-SECBINFHSA-N 1 1 296.327 1.156 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000295591200 370505483 /nfs/dbraw/zinc/50/54/83/370505483.db2.gz BMGWYDAADBANCD-LLVKDONJSA-N 1 1 295.339 1.260 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642618 370538598 /nfs/dbraw/zinc/53/85/98/370538598.db2.gz GRFUTPPEJIWUEM-NSHDSACASA-N 1 1 298.339 1.685 20 5 CDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331732904 204106494 /nfs/dbraw/zinc/10/64/94/204106494.db2.gz SIIRYYAZABYMHI-LLVKDONJSA-N 1 1 289.335 1.826 20 5 CDBDMO C[C@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)C1(C)CC1 ZINC000331827314 204210045 /nfs/dbraw/zinc/21/00/45/204210045.db2.gz DGTBURILGFNADX-VIFPVBQESA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)C1(C)CC1 ZINC000331827314 204210049 /nfs/dbraw/zinc/21/00/49/204210049.db2.gz DGTBURILGFNADX-VIFPVBQESA-N 1 1 252.318 1.949 20 5 CDBDMO CCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000266315264 372213191 /nfs/dbraw/zinc/21/31/91/372213191.db2.gz DWSVSKMRHJOZTO-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000368578604 374318077 /nfs/dbraw/zinc/31/80/77/374318077.db2.gz OPBCLPUZFODUTA-SNVBAGLBSA-N 1 1 263.297 1.292 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000421748367 374329952 /nfs/dbraw/zinc/32/99/52/374329952.db2.gz LRNLBJQLJAAPHM-GFCCVEGCSA-N 1 1 291.351 1.893 20 5 CDBDMO CC[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480670 374384843 /nfs/dbraw/zinc/38/48/43/374384843.db2.gz PMKACEYROOLHFQ-LSDHHAIUSA-N 1 1 292.383 1.539 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589272 374527714 /nfs/dbraw/zinc/52/77/14/374527714.db2.gz LODJMGJJGFJSOA-JTQLQIEISA-N 1 1 287.323 1.902 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378327868 374639305 /nfs/dbraw/zinc/63/93/05/374639305.db2.gz UIFJBHXKNWJWTB-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000378327868 374639315 /nfs/dbraw/zinc/63/93/15/374639315.db2.gz UIFJBHXKNWJWTB-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331154504 374896674 /nfs/dbraw/zinc/89/66/74/374896674.db2.gz PHTJDFIGIJCVQR-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1COC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331154504 374896678 /nfs/dbraw/zinc/89/66/78/374896678.db2.gz PHTJDFIGIJCVQR-JTQLQIEISA-N 1 1 268.317 1.291 20 5 CDBDMO C[NH+](C)C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330420576 374850389 /nfs/dbraw/zinc/85/03/89/374850389.db2.gz GOHYPZWYSXJSBO-ZDUSSCGKSA-N 1 1 295.339 1.063 20 5 CDBDMO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000280291887 374991117 /nfs/dbraw/zinc/99/11/17/374991117.db2.gz RFIVGDIKMAWTSA-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000280291887 374991122 /nfs/dbraw/zinc/99/11/22/374991122.db2.gz RFIVGDIKMAWTSA-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO COc1c(C(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000332236706 375018035 /nfs/dbraw/zinc/01/80/35/375018035.db2.gz RWDUOFKIDUVRAQ-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000282524232 375093456 /nfs/dbraw/zinc/09/34/56/375093456.db2.gz PTICZNOYCOVWNS-UWVGGRQHSA-N 1 1 286.303 1.298 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299473922 375174435 /nfs/dbraw/zinc/17/44/35/375174435.db2.gz BMACGRUJLHJNPY-UHFFFAOYSA-N 1 1 277.324 1.763 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000351491336 375303369 /nfs/dbraw/zinc/30/33/69/375303369.db2.gz JOLNWLKSDYVIPR-NILFDRSVSA-N 1 1 291.351 1.643 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351812605 375332170 /nfs/dbraw/zinc/33/21/70/375332170.db2.gz PUTMXXXYRHAORV-BREBYQMCSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351812605 375332174 /nfs/dbraw/zinc/33/21/74/375332174.db2.gz PUTMXXXYRHAORV-BREBYQMCSA-N 1 1 293.323 1.234 20 5 CDBDMO C[N@H+]1CC[C@@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000352897787 375549852 /nfs/dbraw/zinc/54/98/52/375549852.db2.gz AJGRUYOKSJVSHV-MRVPVSSYSA-N 1 1 271.704 1.362 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC1 ZINC000353026533 375565337 /nfs/dbraw/zinc/56/53/37/375565337.db2.gz WBMXQKWVVZCHFE-UHFFFAOYSA-N 1 1 276.296 1.428 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CC1 ZINC000353026533 375565345 /nfs/dbraw/zinc/56/53/45/375565345.db2.gz WBMXQKWVVZCHFE-UHFFFAOYSA-N 1 1 276.296 1.428 20 5 CDBDMO COc1ccc(C[N@@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000051837932 375583343 /nfs/dbraw/zinc/58/33/43/375583343.db2.gz RAURWLNXSVDXMF-SECBINFHSA-N 1 1 254.286 1.416 20 5 CDBDMO C[C@H](CO)[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343201540 375621340 /nfs/dbraw/zinc/62/13/40/375621340.db2.gz AEROGTBCMAWNIK-LLVKDONJSA-N 1 1 297.330 1.627 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000345012240 375714410 /nfs/dbraw/zinc/71/44/10/375714410.db2.gz PIKONXUCNVKZJA-RKDXNWHRSA-N 1 1 266.301 1.135 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCc1ccncc1 ZINC000354872165 375757852 /nfs/dbraw/zinc/75/78/52/375757852.db2.gz BMHHNGHUPIEGDF-UHFFFAOYSA-N 1 1 275.312 1.398 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCc1ccncc1 ZINC000354872165 375757861 /nfs/dbraw/zinc/75/78/61/375757861.db2.gz BMHHNGHUPIEGDF-UHFFFAOYSA-N 1 1 275.312 1.398 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000133581859 375802011 /nfs/dbraw/zinc/80/20/11/375802011.db2.gz DYGKSDNJVUKHRG-YPMHNXCESA-N 1 1 276.340 1.910 20 5 CDBDMO O=c1c([N+](=O)[O-])cccn1Cc1cn2ccccc2[nH+]1 ZINC000171415784 376597733 /nfs/dbraw/zinc/59/77/33/376597733.db2.gz XKOMUAFYSDYKOT-UHFFFAOYSA-N 1 1 270.248 1.453 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444273217 250114359 /nfs/dbraw/zinc/11/43/59/250114359.db2.gz ZUGGVQULBIVZGY-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444273217 250114365 /nfs/dbraw/zinc/11/43/65/250114365.db2.gz ZUGGVQULBIVZGY-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444273217 250114368 /nfs/dbraw/zinc/11/43/68/250114368.db2.gz ZUGGVQULBIVZGY-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505563660 254090109 /nfs/dbraw/zinc/09/01/09/254090109.db2.gz HVNFXNFLZNUDPB-UHFFFAOYSA-N 1 1 295.314 1.692 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCC3)CC2)s1 ZINC000281834731 285174409 /nfs/dbraw/zinc/17/44/09/285174409.db2.gz INNGXBQYHAJLDD-UHFFFAOYSA-N 1 1 268.342 1.726 20 5 CDBDMO Cc1ccc(C[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000288505163 197097025 /nfs/dbraw/zinc/09/70/25/197097025.db2.gz SIXQHLSEYOFCIG-UHFFFAOYSA-N 1 1 261.285 1.322 20 5 CDBDMO Cc1cnc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450790129 390553235 /nfs/dbraw/zinc/55/32/35/390553235.db2.gz GNOJRGBLCZKIEO-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cnc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450790129 390553239 /nfs/dbraw/zinc/55/32/39/390553239.db2.gz GNOJRGBLCZKIEO-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000075777875 390680381 /nfs/dbraw/zinc/68/03/81/390680381.db2.gz JHXMENPSJAQIEZ-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000354187478 391167109 /nfs/dbraw/zinc/16/71/09/391167109.db2.gz CDSFBXQEMLFXKO-GFCCVEGCSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000354187478 391167111 /nfs/dbraw/zinc/16/71/11/391167111.db2.gz CDSFBXQEMLFXKO-GFCCVEGCSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1nc(N2CC[N@H+](C3CC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337568 391270744 /nfs/dbraw/zinc/27/07/44/391270744.db2.gz FITQIYSHXHHUAH-JTQLQIEISA-N 1 1 291.355 1.614 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000457743607 391585085 /nfs/dbraw/zinc/58/50/85/391585085.db2.gz KCDPAWQSQBSJBN-UHFFFAOYSA-N 1 1 288.307 1.725 20 5 CDBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346222 130087490 /nfs/dbraw/zinc/08/74/90/130087490.db2.gz QJDXIJPGNHCMEH-YPMHNXCESA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190812575 130150146 /nfs/dbraw/zinc/15/01/46/130150146.db2.gz DGPJPATXKGYXKS-QWRGUYRKSA-N 1 1 268.313 1.158 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412043635 391819665 /nfs/dbraw/zinc/81/96/65/391819665.db2.gz VRKNZBJJYJSBPH-KOLCDFICSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412043635 391819668 /nfs/dbraw/zinc/81/96/68/391819668.db2.gz VRKNZBJJYJSBPH-KOLCDFICSA-N 1 1 291.307 1.939 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000495243680 391907333 /nfs/dbraw/zinc/90/73/33/391907333.db2.gz LTSNISIHTRXUCY-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590762303 391922687 /nfs/dbraw/zinc/92/26/87/391922687.db2.gz PWXDCFAQABQEIJ-ZWNOBZJWSA-N 1 1 296.323 1.437 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726437 392722241 /nfs/dbraw/zinc/72/22/41/392722241.db2.gz FXFUMZGCHWSFFL-NXEZZACHSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726437 392722248 /nfs/dbraw/zinc/72/22/48/392722248.db2.gz FXFUMZGCHWSFFL-NXEZZACHSA-N 1 1 290.323 1.674 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C(C)C ZINC000430225953 393095652 /nfs/dbraw/zinc/09/56/52/393095652.db2.gz NHXWJYBFQHXSRT-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000081527262 393064594 /nfs/dbraw/zinc/06/45/94/393064594.db2.gz LKVLBWRSQHHVAC-JTQLQIEISA-N 1 1 295.339 1.417 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359800 393175559 /nfs/dbraw/zinc/17/55/59/393175559.db2.gz BFUYJOOYPOPGDY-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000494642336 393236531 /nfs/dbraw/zinc/23/65/31/393236531.db2.gz JGLWTSMHWTXOPS-VIFPVBQESA-N 1 1 296.352 1.521 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000494679471 393236694 /nfs/dbraw/zinc/23/66/94/393236694.db2.gz FIMABBJVJLRDRK-ZDUSSCGKSA-N 1 1 278.308 1.560 20 5 CDBDMO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587151 393216009 /nfs/dbraw/zinc/21/60/09/393216009.db2.gz QHVDLGCMQHGYQN-GWJCSSMESA-N 1 1 289.335 1.818 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCOCC1 ZINC000156169109 289259084 /nfs/dbraw/zinc/25/90/84/289259084.db2.gz DVXFHRMJMDDXHW-UHFFFAOYSA-N 1 1 268.317 1.150 20 5 CDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570806 152228696 /nfs/dbraw/zinc/22/86/96/152228696.db2.gz ABIYBALUCBWALB-LLVKDONJSA-N 1 1 294.355 1.538 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000348967889 154017099 /nfs/dbraw/zinc/01/70/99/154017099.db2.gz WNRCFZSQLZYNRA-NSHDSACASA-N 1 1 280.328 1.335 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352211506 155024510 /nfs/dbraw/zinc/02/45/10/155024510.db2.gz KRGZGTJFKYTMHY-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354006724 156219895 /nfs/dbraw/zinc/21/98/95/156219895.db2.gz NKAVZAMPCJPMIY-VIFPVBQESA-N 1 1 266.301 1.089 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000359025478 158102842 /nfs/dbraw/zinc/10/28/42/158102842.db2.gz DXNQQXMEQRFYBJ-UWVGGRQHSA-N 1 1 293.327 1.016 20 5 CDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000285016079 196178568 /nfs/dbraw/zinc/17/85/68/196178568.db2.gz ZKOWXRBNKOVXMW-CABCVRRESA-N 1 1 291.351 1.500 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537638 175200154 /nfs/dbraw/zinc/20/01/54/175200154.db2.gz LJTRKRGDSJFOPI-JTQLQIEISA-N 1 1 250.302 1.744 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000044725682 175238066 /nfs/dbraw/zinc/23/80/66/175238066.db2.gz MNNKLDKRKICDGC-SECBINFHSA-N 1 1 293.298 1.700 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000071950967 176303890 /nfs/dbraw/zinc/30/38/90/176303890.db2.gz ATHFRMBVTRFSMM-CYBMUJFWSA-N 1 1 293.323 1.313 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000071950967 176303891 /nfs/dbraw/zinc/30/38/91/176303891.db2.gz ATHFRMBVTRFSMM-CYBMUJFWSA-N 1 1 293.323 1.313 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464844 270235213 /nfs/dbraw/zinc/23/52/13/270235213.db2.gz ZUNHWSQFQBPAKR-UHFFFAOYSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450797965 274365624 /nfs/dbraw/zinc/36/56/24/274365624.db2.gz YGNOPMAAQQTUSZ-TXEJJXNPSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000294905022 274369685 /nfs/dbraw/zinc/36/96/85/274369685.db2.gz IPSGAAXPGWYBHE-JTQLQIEISA-N 1 1 277.328 1.305 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000049238488 277007614 /nfs/dbraw/zinc/00/76/14/277007614.db2.gz IVHXMMSJHZDYQR-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000272557624 277144113 /nfs/dbraw/zinc/14/41/13/277144113.db2.gz TZYRPQQLIUYGFE-ZJUUUORDSA-N 1 1 279.296 1.354 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000287969958 277199117 /nfs/dbraw/zinc/19/91/17/277199117.db2.gz ZQBVUYONSOCILP-AOOOYVTPSA-N 1 1 262.313 1.175 20 5 CDBDMO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451751126 277299704 /nfs/dbraw/zinc/29/97/04/277299704.db2.gz SQODJLIGWYBZNH-ZWKOPEQDSA-N 1 1 266.297 1.347 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451751126 277299706 /nfs/dbraw/zinc/29/97/06/277299706.db2.gz SQODJLIGWYBZNH-ZWKOPEQDSA-N 1 1 266.297 1.347 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000557361468 290342053 /nfs/dbraw/zinc/34/20/53/290342053.db2.gz PXXMUVDINFJYSN-ZDUSSCGKSA-N 1 1 291.351 1.547 20 5 CDBDMO COc1cc(-c2nc(C[NH3+])no2)c([N+](=O)[O-])cc1OC ZINC000573488993 294828298 /nfs/dbraw/zinc/82/82/98/294828298.db2.gz WDEOTDASBWEFFR-UHFFFAOYSA-N 1 1 280.240 1.121 20 5 CDBDMO O=C1NCC[C@@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349247 316260218 /nfs/dbraw/zinc/26/02/18/316260218.db2.gz FSDAVTVXHDIAFE-GFCCVEGCSA-N 1 1 289.335 1.479 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762487 325038059 /nfs/dbraw/zinc/03/80/59/325038059.db2.gz JYTJWLRCFMAXCC-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000085862754 519648928 /nfs/dbraw/zinc/64/89/28/519648928.db2.gz SODYHGMFEWQZNF-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581354 522812582 /nfs/dbraw/zinc/81/25/82/522812582.db2.gz WKOCEFVZIREESJ-UHFFFAOYSA-N 1 1 293.327 1.548 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952198 526987835 /nfs/dbraw/zinc/98/78/35/526987835.db2.gz ILZHQVKYLLFVNI-XBFCOCLRSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364952198 526987840 /nfs/dbraw/zinc/98/78/40/526987840.db2.gz ILZHQVKYLLFVNI-XBFCOCLRSA-N 1 1 289.335 1.681 20 5 CDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157322026 527427924 /nfs/dbraw/zinc/42/79/24/527427924.db2.gz FSZOJMZPJGSFHT-SECBINFHSA-N 1 1 290.323 1.144 20 5 CDBDMO CC(C)OCCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000740859564 576519070 /nfs/dbraw/zinc/51/90/70/576519070.db2.gz SNHUGEZKNWUFPT-UHFFFAOYSA-N 1 1 256.306 1.496 20 5 CDBDMO CC(C)OCCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000740859564 576519072 /nfs/dbraw/zinc/51/90/72/576519072.db2.gz SNHUGEZKNWUFPT-UHFFFAOYSA-N 1 1 256.306 1.496 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000748345152 576906310 /nfs/dbraw/zinc/90/63/10/576906310.db2.gz KICFMTWHIBCPKB-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000748345152 576906311 /nfs/dbraw/zinc/90/63/11/576906311.db2.gz KICFMTWHIBCPKB-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(=O)[nH]1 ZINC000933399599 617416298 /nfs/dbraw/zinc/41/62/98/617416298.db2.gz VGHFRFNFPLMQQF-UHFFFAOYSA-N 1 1 277.284 1.024 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000893937852 618198214 /nfs/dbraw/zinc/19/82/14/618198214.db2.gz AYNCUYBVEDYLPM-NOZJJQNGSA-N 1 1 287.323 1.611 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000894476609 618909590 /nfs/dbraw/zinc/90/95/90/618909590.db2.gz QTGWUFKDTGKFCE-VIFPVBQESA-N 1 1 267.333 1.613 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000928562949 619392081 /nfs/dbraw/zinc/39/20/81/619392081.db2.gz MBEBGCWNKADKLX-SNVBAGLBSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000928562949 619392084 /nfs/dbraw/zinc/39/20/84/619392084.db2.gz MBEBGCWNKADKLX-SNVBAGLBSA-N 1 1 267.260 1.168 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000895250048 619490911 /nfs/dbraw/zinc/49/09/11/619490911.db2.gz ZVCSEJRMWFXSEU-BXKDBHETSA-N 1 1 297.334 1.175 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000899873185 622503142 /nfs/dbraw/zinc/50/31/42/622503142.db2.gz JXYBEEOIQFVZGV-LLVKDONJSA-N 1 1 254.261 1.906 20 5 CDBDMO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903352042 625976488 /nfs/dbraw/zinc/97/64/88/625976488.db2.gz QGCAQWFVDSQREN-VIFPVBQESA-N 1 1 275.312 1.761 20 5 CDBDMO CCNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000906229188 627157848 /nfs/dbraw/zinc/15/78/48/627157848.db2.gz JFICFGBIMFBKRP-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO CCNc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000906229188 627157851 /nfs/dbraw/zinc/15/78/51/627157851.db2.gz JFICFGBIMFBKRP-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO [NH3+]CCc1cnn(-c2ccc3[nH]cnc3c2[N+](=O)[O-])c1 ZINC001168952021 1161995330 /nfs/dbraw/zinc/99/53/30/1161995330.db2.gz BVEROEDDNLIIDG-UHFFFAOYSA-N 1 1 272.268 1.158 20 5 CDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000867945132 751377512 /nfs/dbraw/zinc/37/75/12/751377512.db2.gz RHROJTXXOBPBJT-UEKVPHQBSA-N 1 1 291.351 1.883 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313121 751476775 /nfs/dbraw/zinc/47/67/75/751476775.db2.gz FYOZWAFCCGQQBD-HUUCEWRRSA-N 1 1 294.351 1.865 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039583378 751608394 /nfs/dbraw/zinc/60/83/94/751608394.db2.gz NSSLKWLHQVFJKE-YVECIDJPSA-N 1 1 299.346 1.077 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCF ZINC001039583378 751608407 /nfs/dbraw/zinc/60/84/07/751608407.db2.gz NSSLKWLHQVFJKE-YVECIDJPSA-N 1 1 299.346 1.077 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039583378 751608420 /nfs/dbraw/zinc/60/84/20/751608420.db2.gz NSSLKWLHQVFJKE-YVECIDJPSA-N 1 1 299.346 1.077 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135410816 751874644 /nfs/dbraw/zinc/87/46/44/751874644.db2.gz VNULXWHXSUSGPQ-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000135410816 751874645 /nfs/dbraw/zinc/87/46/45/751874645.db2.gz VNULXWHXSUSGPQ-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870860050 752006057 /nfs/dbraw/zinc/00/60/57/752006057.db2.gz NPFKPPYVUGZYDH-HZMBPMFUSA-N 1 1 293.323 1.016 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000829592513 752016597 /nfs/dbraw/zinc/01/65/97/752016597.db2.gz CXFIRUNMNNTASN-YUELXQCFSA-N 1 1 292.335 1.739 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000785517240 752164299 /nfs/dbraw/zinc/16/42/99/752164299.db2.gz JBKXWJYFZVVUKV-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H](O)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140536 752207299 /nfs/dbraw/zinc/20/72/99/752207299.db2.gz CIMOXRDFLVYKCM-YGRLFVJLSA-N 1 1 280.324 1.301 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000791054036 749411361 /nfs/dbraw/zinc/41/13/61/749411361.db2.gz WOOSGMXUHOEICD-AWEZNQCLSA-N 1 1 263.341 1.864 20 5 CDBDMO Cc1nn(CN(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817375334 749593122 /nfs/dbraw/zinc/59/31/22/749593122.db2.gz SQYUQJAMEZHTHH-LLVKDONJSA-N 1 1 267.333 1.083 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840120785 749671763 /nfs/dbraw/zinc/67/17/63/749671763.db2.gz OOSLREFCJULGHN-UTUOFQBUSA-N 1 1 280.328 1.374 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000776583316 750211065 /nfs/dbraw/zinc/21/10/65/750211065.db2.gz ZRLXRMWLEOJJLO-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000886839468 750249867 /nfs/dbraw/zinc/24/98/67/750249867.db2.gz FMIZTQIWQGAJQW-CQSZACIVSA-N 1 1 290.367 1.954 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865507112 750285416 /nfs/dbraw/zinc/28/54/16/750285416.db2.gz ZLZNCDWDOXTTPI-SECBINFHSA-N 1 1 283.303 1.590 20 5 CDBDMO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923330292 750898647 /nfs/dbraw/zinc/89/86/47/750898647.db2.gz BOYQKPOOMFZVHP-SUHUHFCYSA-N 1 1 279.340 1.297 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)Cn2nccc2[N+](=O)[O-])C1 ZINC000840152808 751011524 /nfs/dbraw/zinc/01/15/24/751011524.db2.gz OFHJHIIOQVNNLH-NSHDSACASA-N 1 1 267.333 1.163 20 5 CDBDMO C[N@@H+](CCO)CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000884825165 751074482 /nfs/dbraw/zinc/07/44/82/751074482.db2.gz IQYZSUNTNQWRPU-UHFFFAOYSA-N 1 1 291.710 1.723 20 5 CDBDMO CC(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001000346461 751110349 /nfs/dbraw/zinc/11/03/49/751110349.db2.gz VPBMPGMXPWMIGE-UHFFFAOYSA-N 1 1 289.335 1.863 20 5 CDBDMO CC(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001000346461 751110358 /nfs/dbraw/zinc/11/03/58/751110358.db2.gz VPBMPGMXPWMIGE-UHFFFAOYSA-N 1 1 289.335 1.863 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3cccc3C2)c1 ZINC000932528690 751150821 /nfs/dbraw/zinc/15/08/21/751150821.db2.gz MHFYWLVNVRDMNO-UHFFFAOYSA-N 1 1 261.285 1.109 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3cccc3C2)c1 ZINC000932528690 751150838 /nfs/dbraw/zinc/15/08/38/751150838.db2.gz MHFYWLVNVRDMNO-UHFFFAOYSA-N 1 1 261.285 1.109 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877595179 751298638 /nfs/dbraw/zinc/29/86/38/751298638.db2.gz ULTQKQLLWAXQCH-ZDUSSCGKSA-N 1 1 291.351 1.922 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2COCC[NH2+]2)cc1Cl ZINC000863649382 752733409 /nfs/dbraw/zinc/73/34/09/752733409.db2.gz CPHHMIBTOLCVJO-SNVBAGLBSA-N 1 1 285.731 1.326 20 5 CDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000929694822 752736036 /nfs/dbraw/zinc/73/60/36/752736036.db2.gz AZBGOIHMPIQRQO-QJPTWQEYSA-N 1 1 256.346 1.789 20 5 CDBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000094774832 752831429 /nfs/dbraw/zinc/83/14/29/752831429.db2.gz DYFRPBQVEPCZJJ-JTQLQIEISA-N 1 1 267.304 1.870 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C2CCC2)CC1 ZINC000881982521 752862278 /nfs/dbraw/zinc/86/22/78/752862278.db2.gz ZTKIAVXPGHEKCF-UHFFFAOYSA-N 1 1 280.303 1.803 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000886043679 753481261 /nfs/dbraw/zinc/48/12/61/753481261.db2.gz HVICBGOGRZHMJY-NEPJUHHUSA-N 1 1 295.364 1.696 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000886043679 753481268 /nfs/dbraw/zinc/48/12/68/753481268.db2.gz HVICBGOGRZHMJY-NEPJUHHUSA-N 1 1 295.364 1.696 20 5 CDBDMO C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829015893 753639087 /nfs/dbraw/zinc/63/90/87/753639087.db2.gz WDFWFBDEAAOGDL-PHIMTYICSA-N 1 1 297.330 1.625 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000830085057 753651905 /nfs/dbraw/zinc/65/19/05/753651905.db2.gz FBGFWQZLJKGCIC-VXGBXAGGSA-N 1 1 286.715 1.752 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044534 753653502 /nfs/dbraw/zinc/65/35/02/753653502.db2.gz ZFKJWNMVPJHFDG-OCCSQVGLSA-N 1 1 290.367 1.906 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673383 753798383 /nfs/dbraw/zinc/79/83/83/753798383.db2.gz KNOFVMSEVZPLOS-LLVKDONJSA-N 1 1 292.339 1.343 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000886086542 753833969 /nfs/dbraw/zinc/83/39/69/753833969.db2.gz KLGQLIXTQREXBJ-JQWIXIFHSA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(O)C1 ZINC001173228951 912320405 /nfs/dbraw/zinc/32/04/05/912320405.db2.gz OIUTXAVIKDYLSV-JTQLQIEISA-N 1 1 250.298 1.592 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298559 912952693 /nfs/dbraw/zinc/95/26/93/912952693.db2.gz ZIAUBABBGJJHMC-OUAUKWLOSA-N 1 1 296.375 1.072 20 5 CDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CCc2[nH+]ccn2CC1 ZINC001167178194 894814825 /nfs/dbraw/zinc/81/48/25/894814825.db2.gz LXGCPQPIJZSIMA-UHFFFAOYSA-N 1 1 293.714 1.902 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCc3[nH+]ccn3CC2)c(F)c1 ZINC001167182631 894823968 /nfs/dbraw/zinc/82/39/68/894823968.db2.gz RFMBGOZLCWWZFI-UHFFFAOYSA-N 1 1 277.259 1.388 20 5 CDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177793159 898291855 /nfs/dbraw/zinc/29/18/55/898291855.db2.gz SDUIQTNJSABAQT-LBPRGKRZSA-N 1 1 296.327 1.209 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177793159 898291870 /nfs/dbraw/zinc/29/18/70/898291870.db2.gz SDUIQTNJSABAQT-LBPRGKRZSA-N 1 1 296.327 1.209 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721475 936922092 /nfs/dbraw/zinc/92/20/92/936922092.db2.gz MPDJMXOUNJBVRQ-OIMNJJJWSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721475 936922095 /nfs/dbraw/zinc/92/20/95/936922095.db2.gz MPDJMXOUNJBVRQ-OIMNJJJWSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721475 936922098 /nfs/dbraw/zinc/92/20/98/936922098.db2.gz MPDJMXOUNJBVRQ-OIMNJJJWSA-N 1 1 295.383 1.421 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168970727 927595077 /nfs/dbraw/zinc/59/50/77/927595077.db2.gz ISGPTWFAOXDUCN-QWRGUYRKSA-N 1 1 270.329 1.507 20 5 CDBDMO C[NH+](C)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006835 927611661 /nfs/dbraw/zinc/61/16/61/927611661.db2.gz JQUZBXGEPYJUQT-DGCLKSJQSA-N 1 1 255.362 1.458 20 5 CDBDMO CN(C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006835 927611671 /nfs/dbraw/zinc/61/16/71/927611671.db2.gz JQUZBXGEPYJUQT-DGCLKSJQSA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013973 927620170 /nfs/dbraw/zinc/62/01/70/927620170.db2.gz XAXMGDFGWLFTKI-RNJOBUHISA-N 1 1 254.330 1.543 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CCO)C2)C1 ZINC001169034982 927642497 /nfs/dbraw/zinc/64/24/97/927642497.db2.gz JLZVXPFOTAZVDK-UPJWGTAASA-N 1 1 256.346 1.526 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3cncc3C2)C1 ZINC001169037487 927647202 /nfs/dbraw/zinc/64/72/02/927647202.db2.gz RYJJQJCPHQFXMA-WDEREUQCSA-N 1 1 250.302 1.144 20 5 CDBDMO CCOC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038567 927651453 /nfs/dbraw/zinc/65/14/53/927651453.db2.gz ZRINBFCLTBESJP-XQQFMLRXSA-N 1 1 284.356 1.849 20 5 CDBDMO O=c1ccc2c([nH]1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169040379 927653494 /nfs/dbraw/zinc/65/34/94/927653494.db2.gz ZMVFPBHTQKFSDA-DGCLKSJQSA-N 1 1 291.351 1.633 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccccn3)C2)C1 ZINC001169040422 927653550 /nfs/dbraw/zinc/65/35/50/927653550.db2.gz ZUIKHYRJGXGCTQ-NFAWXSAZSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccccn3)C2)C1 ZINC001169040422 927653555 /nfs/dbraw/zinc/65/35/55/927653555.db2.gz ZUIKHYRJGXGCTQ-NFAWXSAZSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC001169022470 927662641 /nfs/dbraw/zinc/66/26/41/927662641.db2.gz BYBCTUAZRMQWAD-RDBSUJKOSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3CCCC[C@H]3C2)C1 ZINC001169022470 927662646 /nfs/dbraw/zinc/66/26/46/927662646.db2.gz 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cnccn3)C2)C1 ZINC001169052448 927669818 /nfs/dbraw/zinc/66/98/18/927669818.db2.gz FXVPMPAWFGRZRO-UPJWGTAASA-N 1 1 292.339 1.375 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156645796 928871889 /nfs/dbraw/zinc/87/18/89/928871889.db2.gz BZXLOVSNCXKMIC-GFCCVEGCSA-N 1 1 258.281 1.899 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930346865 933362826 /nfs/dbraw/zinc/36/28/26/933362826.db2.gz BOBDHUONQMAFQU-CYBMUJFWSA-N 1 1 287.360 1.500 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930346865 933362838 /nfs/dbraw/zinc/36/28/38/933362838.db2.gz BOBDHUONQMAFQU-CYBMUJFWSA-N 1 1 287.360 1.500 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000795744908 934930355 /nfs/dbraw/zinc/93/03/55/934930355.db2.gz AGCUWBLNUMLSQM-VIFPVBQESA-N 1 1 293.327 1.572 20 5 CDBDMO C[C@H](CCO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156451590 938368921 /nfs/dbraw/zinc/36/89/21/938368921.db2.gz KREDZUKGUYUEQZ-DFVUYQKZSA-N 1 1 280.328 1.705 20 5 CDBDMO CN(C)/C=C/c1cc(N[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156580399 938389072 /nfs/dbraw/zinc/38/90/72/938389072.db2.gz AWPGMSGUCJGJJH-FUEXJSSKSA-N 1 1 291.355 1.638 20 5 CDBDMO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157760662 938541652 /nfs/dbraw/zinc/54/16/52/938541652.db2.gz GRWKCDGABIUBAQ-ZIAGYGMSSA-N 1 1 291.351 1.256 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001159743073 938748487 /nfs/dbraw/zinc/74/84/87/938748487.db2.gz BYFNVNZIHVJSPQ-SECBINFHSA-N 1 1 295.126 1.766 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162341180 939031136 /nfs/dbraw/zinc/03/11/36/939031136.db2.gz JOULPQZECDGZBT-ZDUSSCGKSA-N 1 1 295.343 1.598 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628995 941891769 /nfs/dbraw/zinc/89/17/69/941891769.db2.gz BSWJEJPAIJCCAT-JTQLQIEISA-N 1 1 251.286 1.851 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227744231 942216731 /nfs/dbraw/zinc/21/67/31/942216731.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894893 942241079 /nfs/dbraw/zinc/24/10/79/942241079.db2.gz RAYCVQWPTHIXOJ-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228014289 942257709 /nfs/dbraw/zinc/25/77/09/942257709.db2.gz HMDLZYHSHSHTJV-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[C@H](C[NH+](C)C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604422 942340724 /nfs/dbraw/zinc/34/07/24/942340724.db2.gz SJIQYTSSUKRESK-SSDOTTSWSA-N 1 1 282.300 1.297 20 5 CDBDMO COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001229901967 942551072 /nfs/dbraw/zinc/55/10/72/942551072.db2.gz DCINBTFTVKCXAU-JTQLQIEISA-N 1 1 294.307 1.773 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233987724 943707398 /nfs/dbraw/zinc/70/73/98/943707398.db2.gz SRJBWYFRBSTOEH-ZDUSSCGKSA-N 1 1 294.351 1.987 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCNC(=O)C1 ZINC001254551507 947520449 /nfs/dbraw/zinc/52/04/49/947520449.db2.gz CLJFXAPHXZTLPE-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCNC(=O)C1 ZINC001254551507 947520461 /nfs/dbraw/zinc/52/04/61/947520461.db2.gz CLJFXAPHXZTLPE-LLVKDONJSA-N 1 1 277.324 1.348 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001254592468 947542935 /nfs/dbraw/zinc/54/29/35/947542935.db2.gz DONLBQPSRDLBHJ-GUTXKFCHSA-N 1 1 274.320 1.640 20 5 CDBDMO COC(=O)C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592658 947543054 /nfs/dbraw/zinc/54/30/54/947543054.db2.gz FEGLYNGVJMCPNH-ZDUSSCGKSA-N 1 1 276.292 1.167 20 5 CDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604907 947553871 /nfs/dbraw/zinc/55/38/71/947553871.db2.gz YMCLGUGTWOXUTJ-VCTAVGKDSA-N 1 1 276.336 1.907 20 5 CDBDMO COc1cccc2cc(C[NH2+]CC[N+](=O)[O-])oc21 ZINC001337856266 956236716 /nfs/dbraw/zinc/23/67/16/956236716.db2.gz UFLKMCQVZXFZLZ-UHFFFAOYSA-N 1 1 250.254 1.808 20 5 CDBDMO COc1cc(-c2nnc(C[NH+](C)C)o2)c([N+](=O)[O-])cc1F ZINC001330097143 956274382 /nfs/dbraw/zinc/27/43/82/956274382.db2.gz BSSFWCAVMBUYNI-UHFFFAOYSA-N 1 1 296.258 1.854 20 5 CDBDMO CO[C@@]1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615263 956518953 /nfs/dbraw/zinc/51/89/53/956518953.db2.gz MPHVWKLZTPRQSH-CQSZACIVSA-N 1 1 278.308 1.716 20 5 CDBDMO CO[C@@]1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615263 956518958 /nfs/dbraw/zinc/51/89/58/956518958.db2.gz MPHVWKLZTPRQSH-CQSZACIVSA-N 1 1 278.308 1.716 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001331701082 957213102 /nfs/dbraw/zinc/21/31/02/957213102.db2.gz GHRODSAUQOICCH-DGCLKSJQSA-N 1 1 277.324 1.991 20 5 CDBDMO O=C([C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-])N1CCCC1 ZINC001335366935 959747967 /nfs/dbraw/zinc/74/79/67/959747967.db2.gz KFIGCTZOYXXPGF-AWEZNQCLSA-N 1 1 291.351 1.086 20 5 CDBDMO CCCC[N@@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001322701709 960295935 /nfs/dbraw/zinc/29/59/35/960295935.db2.gz OMLOCXLXAJDLEK-UHFFFAOYSA-N 1 1 266.345 1.864 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006441 342458683 /nfs/dbraw/zinc/45/86/83/342458683.db2.gz XTJCJZLCTMDHBP-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000601034559 342460389 /nfs/dbraw/zinc/46/03/89/342460389.db2.gz CFHJELMXGIGHOU-SECBINFHSA-N 1 1 295.314 1.946 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351447 187133965 /nfs/dbraw/zinc/13/39/65/187133965.db2.gz PXHPFMCNGDXZQY-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H](CCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121895 342471447 /nfs/dbraw/zinc/47/14/47/342471447.db2.gz QWQLJTWRLALQOX-SECBINFHSA-N 1 1 261.281 1.748 20 5 CDBDMO CC[N@H+](CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494306 342507867 /nfs/dbraw/zinc/50/78/67/342507867.db2.gz NOEJGBCIRANEMI-UHFFFAOYSA-N 1 1 296.323 1.850 20 5 CDBDMO CC[N@@H+](CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494306 342507868 /nfs/dbraw/zinc/50/78/68/342507868.db2.gz NOEJGBCIRANEMI-UHFFFAOYSA-N 1 1 296.323 1.850 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000590661441 342581418 /nfs/dbraw/zinc/58/14/18/342581418.db2.gz OMZQNLVMRCUYCX-PRHODGIISA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000590661441 342581419 /nfs/dbraw/zinc/58/14/19/342581419.db2.gz OMZQNLVMRCUYCX-PRHODGIISA-N 1 1 254.261 1.689 20 5 CDBDMO O=[N+]([O-])c1sccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000590708004 342585247 /nfs/dbraw/zinc/58/52/47/342585247.db2.gz FMRHUJRNLCGMOY-JTQLQIEISA-N 1 1 285.369 1.915 20 5 CDBDMO C[C@@H]1[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592752980 342721952 /nfs/dbraw/zinc/72/19/52/342721952.db2.gz RPDPXPKTSQYBFB-ZYHUDNBSSA-N 1 1 277.324 1.551 20 5 CDBDMO C[C@H](CCO)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593109019 342769374 /nfs/dbraw/zinc/76/93/74/342769374.db2.gz GHJYEZOGVNZRTN-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000593109019 342769375 /nfs/dbraw/zinc/76/93/75/342769375.db2.gz GHJYEZOGVNZRTN-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003770 342995150 /nfs/dbraw/zinc/99/51/50/342995150.db2.gz JZIFBBPWAHEKOR-NXEZZACHSA-N 1 1 295.339 1.779 20 5 CDBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562510 349778620 /nfs/dbraw/zinc/77/86/20/349778620.db2.gz IYUGTZQZFQBIBL-JTQLQIEISA-N 1 1 293.371 1.787 20 5 CDBDMO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595436295 343060407 /nfs/dbraw/zinc/06/04/07/343060407.db2.gz MJWDIMHGIVXCKX-RKDXNWHRSA-N 1 1 282.300 1.025 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000595786684 343155989 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CC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602816823 344607356 /nfs/dbraw/zinc/60/73/56/344607356.db2.gz CNWACQZDELVNQB-UHFFFAOYSA-N 1 1 252.274 1.017 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603846110 344838068 /nfs/dbraw/zinc/83/80/68/344838068.db2.gz QAXGTVADPMMROV-GFCCVEGCSA-N 1 1 277.324 1.335 20 5 CDBDMO CNC(=O)C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604432701 344890419 /nfs/dbraw/zinc/89/04/19/344890419.db2.gz RXWLJUNJLMASNU-UHFFFAOYSA-N 1 1 298.368 1.279 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041518 362539517 /nfs/dbraw/zinc/53/95/17/362539517.db2.gz WBNSDNNKDMTSAT-SCRDCRAPSA-N 1 1 292.335 1.806 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293375750 362555324 /nfs/dbraw/zinc/55/53/24/362555324.db2.gz JMDZSVBEAFSIBV-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293375750 362555326 /nfs/dbraw/zinc/55/53/26/362555326.db2.gz 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C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)[N@H+]1C ZINC000294123337 375694150 /nfs/dbraw/zinc/69/41/50/375694150.db2.gz ZZDNSGKYJRBEQV-DTORHVGOSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)[N@@H+]1C ZINC000294123337 375694159 /nfs/dbraw/zinc/69/41/59/375694159.db2.gz ZZDNSGKYJRBEQV-DTORHVGOSA-N 1 1 267.285 1.352 20 5 CDBDMO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000266774116 375670118 /nfs/dbraw/zinc/67/01/18/375670118.db2.gz YXFYECOWCBWWDQ-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172295447 376142533 /nfs/dbraw/zinc/14/25/33/376142533.db2.gz FIWIEJKEAWESNE-CQSZACIVSA-N 1 1 280.324 1.568 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171498904 376723373 /nfs/dbraw/zinc/72/33/73/376723373.db2.gz TVKVSYOCQQEYMU-SECBINFHSA-N 1 1 297.359 1.097 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000171696210 376942720 /nfs/dbraw/zinc/94/27/20/376942720.db2.gz PHUMBCPSRGLCPN-VIFPVBQESA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000171696210 376942726 /nfs/dbraw/zinc/94/27/26/376942726.db2.gz PHUMBCPSRGLCPN-VIFPVBQESA-N 1 1 295.364 1.631 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174637334 379548611 /nfs/dbraw/zinc/54/86/11/379548611.db2.gz BLNDQXYQYLOCCT-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO Cc1ccnc(NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000288837517 197176576 /nfs/dbraw/zinc/17/65/76/197176576.db2.gz IVABGILPMQFONB-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO Cc1ccnc(NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000288837517 197176578 /nfs/dbraw/zinc/17/65/78/197176578.db2.gz IVABGILPMQFONB-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451425437 390619106 /nfs/dbraw/zinc/61/91/06/390619106.db2.gz UEBQIIFQGOTRLG-BFHYXJOUSA-N 1 1 294.355 1.417 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451281778 390609808 /nfs/dbraw/zinc/60/98/08/390609808.db2.gz AEXIEOZNVDSFOL-UHFFFAOYSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074974 391244834 /nfs/dbraw/zinc/24/48/34/391244834.db2.gz XZGZGWFWEITQEL-RKDXNWHRSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074974 391244838 /nfs/dbraw/zinc/24/48/38/391244838.db2.gz XZGZGWFWEITQEL-RKDXNWHRSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC[N@H+]1C ZINC000345012238 391340641 /nfs/dbraw/zinc/34/06/41/391340641.db2.gz PIKONXUCNVKZJA-IUCAKERBSA-N 1 1 266.301 1.135 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000266326217 391714964 /nfs/dbraw/zinc/71/49/64/391714964.db2.gz GEPXAZYZRAKUQV-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000357046094 391937363 /nfs/dbraw/zinc/93/73/63/391937363.db2.gz XQGDUCBRPLSJMK-VIFPVBQESA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248988099 131119738 /nfs/dbraw/zinc/11/97/38/131119738.db2.gz WRWNJOPTJRYZSN-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CCO)CC2)c1 ZINC000094663486 392770629 /nfs/dbraw/zinc/77/06/29/392770629.db2.gz JJUFOXUFXOCIBZ-UHFFFAOYSA-N 1 1 279.340 1.408 20 5 CDBDMO CC[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218008 392887264 /nfs/dbraw/zinc/88/72/64/392887264.db2.gz FKLVAWKFUWXVBY-DGCLKSJQSA-N 1 1 294.355 1.901 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420644671 392921363 /nfs/dbraw/zinc/92/13/63/392921363.db2.gz XIRDAJLFUXPZPQ-SNVBAGLBSA-N 1 1 294.355 1.834 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000430198147 393090866 /nfs/dbraw/zinc/09/08/66/393090866.db2.gz YBSMTTRBDJPWLV-QWRGUYRKSA-N 1 1 298.339 1.167 20 5 CDBDMO CC(C)[C@](C)(CN)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000430573844 393100669 /nfs/dbraw/zinc/10/06/69/393100669.db2.gz MWCVNLYSSMBOLS-AWEZNQCLSA-N 1 1 281.356 1.937 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449715681 393139769 /nfs/dbraw/zinc/13/97/69/393139769.db2.gz JOPFOUNPTGVYQF-CHWSQXEVSA-N 1 1 284.287 1.627 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487970376 393367445 /nfs/dbraw/zinc/36/74/45/393367445.db2.gz KANWBOZDPVTGFF-OKILXGFUSA-N 1 1 296.323 1.449 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487970376 393367455 /nfs/dbraw/zinc/36/74/55/393367455.db2.gz KANWBOZDPVTGFF-OKILXGFUSA-N 1 1 296.323 1.449 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[C@H]1C ZINC000487981018 393379135 /nfs/dbraw/zinc/37/91/35/393379135.db2.gz MRPSUOAQUSEDKH-CHWSQXEVSA-N 1 1 296.371 1.928 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672535 140321146 /nfs/dbraw/zinc/32/11/46/140321146.db2.gz BDZAAAHMRBERJP-ZJUUUORDSA-N 1 1 265.317 1.367 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CO)C1 ZINC000255845739 140336664 /nfs/dbraw/zinc/33/66/64/140336664.db2.gz NHGOUUOXSARHRP-KTLBGCOUSA-N 1 1 262.309 1.922 20 5 CDBDMO Cc1[nH+]cn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000171667231 292903075 /nfs/dbraw/zinc/90/30/75/292903075.db2.gz DYWSRHKYQMIOPJ-UHFFFAOYSA-N 1 1 274.280 1.555 20 5 CDBDMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397429 155158155 /nfs/dbraw/zinc/15/81/55/155158155.db2.gz JRSPSSMDKRWBSV-DGCLKSJQSA-N 1 1 284.360 1.663 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352660323 155330371 /nfs/dbraw/zinc/33/03/71/155330371.db2.gz NHQMLXIJPHXBOW-QWHCGFSZSA-N 1 1 280.324 1.949 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000345946520 153004952 /nfs/dbraw/zinc/00/49/52/153004952.db2.gz GKHYIRJOGHBDQR-UWVGGRQHSA-N 1 1 281.312 1.743 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000345946520 153004954 /nfs/dbraw/zinc/00/49/54/153004954.db2.gz GKHYIRJOGHBDQR-UWVGGRQHSA-N 1 1 281.312 1.743 20 5 CDBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccon1 ZINC000349247667 154074543 /nfs/dbraw/zinc/07/45/43/154074543.db2.gz UROBBXNXFUZCFB-MRVPVSSYSA-N 1 1 251.246 1.130 20 5 CDBDMO C[NH2+]Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000349884809 154256681 /nfs/dbraw/zinc/25/66/81/154256681.db2.gz RLMOTCGYNPGRQO-UHFFFAOYSA-N 1 1 266.261 1.211 20 5 CDBDMO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352195233 155014040 /nfs/dbraw/zinc/01/40/40/155014040.db2.gz PDCFELHVACRUQZ-WCQYABFASA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353866174 156132996 /nfs/dbraw/zinc/13/29/96/156132996.db2.gz MITCSBRIGIRLDA-MWLCHTKSSA-N 1 1 284.337 1.260 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000375584842 160394333 /nfs/dbraw/zinc/39/43/33/160394333.db2.gz PJLYMHOQSRGCFS-UWVGGRQHSA-N 1 1 298.368 1.087 20 5 CDBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cn2cc[nH+]c12 ZINC000355478766 157074042 /nfs/dbraw/zinc/07/40/42/157074042.db2.gz XCRORQUWTZJZBO-UHFFFAOYSA-N 1 1 286.251 1.526 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087956 158459232 /nfs/dbraw/zinc/45/92/32/158459232.db2.gz ZFCAUONQWXCGQD-LLVKDONJSA-N 1 1 294.355 1.347 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704342 196372949 /nfs/dbraw/zinc/37/29/49/196372949.db2.gz ONGLHRQNXURQHK-GWCFXTLKSA-N 1 1 268.313 1.595 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000489260169 414148421 /nfs/dbraw/zinc/14/84/21/414148421.db2.gz GGDQZBUAEXDLQE-OAHLLOKOSA-N 1 1 292.335 1.950 20 5 CDBDMO Cc1[nH]ncc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675976 174373391 /nfs/dbraw/zinc/37/33/91/174373391.db2.gz FICHTGCCNJMEDB-UHFFFAOYSA-N 1 1 260.297 1.959 20 5 CDBDMO COc1ccc(CNC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000045107733 175307890 /nfs/dbraw/zinc/30/78/90/175307890.db2.gz BAFNXAUFJFYAST-SNVBAGLBSA-N 1 1 267.329 1.643 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C)C1 ZINC000190330809 277004466 /nfs/dbraw/zinc/00/44/66/277004466.db2.gz VCZMIEMBIMASSG-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc[nH+]1 ZINC000530889821 281623840 /nfs/dbraw/zinc/62/38/40/281623840.db2.gz JNQPLQOFXUCZKI-UHFFFAOYSA-N 1 1 289.295 1.647 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000575746001 317006751 /nfs/dbraw/zinc/00/67/51/317006751.db2.gz QTDGRVXVMMAGCH-RYUDHWBXSA-N 1 1 294.355 1.719 20 5 CDBDMO Cc1c(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151264 327050436 /nfs/dbraw/zinc/05/04/36/327050436.db2.gz RMUJYKBRYMWMGN-CYBMUJFWSA-N 1 1 291.351 1.956 20 5 CDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC001031508833 1161212153 /nfs/dbraw/zinc/21/21/53/1161212153.db2.gz OLNGKSCEIYHLER-UHFFFAOYSA-N 1 1 289.335 1.553 20 5 CDBDMO COc1cc(C[N@H+](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184244816 522358496 /nfs/dbraw/zinc/35/84/96/522358496.db2.gz ZERBFCQSAOFVGR-UHFFFAOYSA-N 1 1 284.287 1.699 20 5 CDBDMO COc1cc(C[N@@H+](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000184244816 522358509 /nfs/dbraw/zinc/35/85/09/522358509.db2.gz ZERBFCQSAOFVGR-UHFFFAOYSA-N 1 1 284.287 1.699 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422702 523862716 /nfs/dbraw/zinc/86/27/16/523862716.db2.gz RDUJXKJOYDQLJT-LLVKDONJSA-N 1 1 296.323 1.715 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081554087 524094358 /nfs/dbraw/zinc/09/43/58/524094358.db2.gz XXYKKXNXOVLBGM-LLVKDONJSA-N 1 1 295.339 1.288 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934708 524822802 /nfs/dbraw/zinc/82/28/02/524822802.db2.gz WVUYNIGECCNQGX-CMPLNLGQSA-N 1 1 266.297 1.429 20 5 CDBDMO COc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000195313850 537080372 /nfs/dbraw/zinc/08/03/72/537080372.db2.gz VYHDQIRJMMKUFW-UHFFFAOYSA-N 1 1 293.323 1.381 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000732181441 575082471 /nfs/dbraw/zinc/08/24/71/575082471.db2.gz IAEPCOKQNKOIQP-JTQLQIEISA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000732181441 575082473 /nfs/dbraw/zinc/08/24/73/575082473.db2.gz IAEPCOKQNKOIQP-JTQLQIEISA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773258098 575795602 /nfs/dbraw/zinc/79/56/02/575795602.db2.gz GUFFNHXCAFNCCG-CHWSQXEVSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000773258098 575795605 /nfs/dbraw/zinc/79/56/05/575795605.db2.gz GUFFNHXCAFNCCG-CHWSQXEVSA-N 1 1 294.355 1.887 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000748348559 576907106 /nfs/dbraw/zinc/90/71/06/576907106.db2.gz GXVSVGUDTQODMD-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000748348559 576907107 /nfs/dbraw/zinc/90/71/07/576907107.db2.gz GXVSVGUDTQODMD-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO COC(=O)N1CC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893146692 617407835 /nfs/dbraw/zinc/40/78/35/617407835.db2.gz OMTMFAQUROYFKD-UHFFFAOYSA-N 1 1 299.714 1.788 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000892421300 618177583 /nfs/dbraw/zinc/17/75/83/618177583.db2.gz IRCJOGKRUZSJJU-SECBINFHSA-N 1 1 253.306 1.082 20 5 CDBDMO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246763 619491886 /nfs/dbraw/zinc/49/18/86/619491886.db2.gz BZDWFNAXYQHHOD-YGRLFVJLSA-N 1 1 296.346 1.780 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000897684796 621073097 /nfs/dbraw/zinc/07/30/97/621073097.db2.gz WXDYFCGMQXUSPT-CABZTGNLSA-N 1 1 294.307 1.179 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000897684796 621073100 /nfs/dbraw/zinc/07/31/00/621073100.db2.gz WXDYFCGMQXUSPT-CABZTGNLSA-N 1 1 294.307 1.179 20 5 CDBDMO COc1cccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)c1 ZINC000899861168 622487704 /nfs/dbraw/zinc/48/77/04/622487704.db2.gz WRGKOSDQAIXGHU-CYBMUJFWSA-N 1 1 267.329 1.164 20 5 CDBDMO CC[NH+](CC)[C@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899870279 622495920 /nfs/dbraw/zinc/49/59/20/622495920.db2.gz LKBXLTQQXRIMFK-GFCCVEGCSA-N 1 1 271.386 1.997 20 5 CDBDMO COc1ccc(CNCCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000903939227 626148210 /nfs/dbraw/zinc/14/82/10/626148210.db2.gz WVOUMNYDCRNWFS-UHFFFAOYSA-N 1 1 267.329 1.820 20 5 CDBDMO O=[N+]([O-])CCNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000905115051 626627706 /nfs/dbraw/zinc/62/77/06/626627706.db2.gz XGOYSRWLYUTZON-UHFFFAOYSA-N 1 1 293.367 1.010 20 5 CDBDMO C[NH+](C)CCCOc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905094757 626636302 /nfs/dbraw/zinc/63/63/02/626636302.db2.gz AVXSOTMPPQWVTF-UHFFFAOYSA-N 1 1 281.356 1.383 20 5 CDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000792875043 1162373984 /nfs/dbraw/zinc/37/39/84/1162373984.db2.gz XKEDDJBFLNPLKA-SNVBAGLBSA-N 1 1 294.311 1.639 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001593483042 1174084358 /nfs/dbraw/zinc/08/43/58/1174084358.db2.gz SHGGNOQULJYJAT-PELKAZGASA-N 1 1 286.295 1.369 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632192 719177170 /nfs/dbraw/zinc/17/71/70/719177170.db2.gz DEASHRVTUUVGPQ-RKDXNWHRSA-N 1 1 295.299 1.427 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632192 719177174 /nfs/dbraw/zinc/17/71/74/719177174.db2.gz DEASHRVTUUVGPQ-RKDXNWHRSA-N 1 1 295.299 1.427 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480839 753890422 /nfs/dbraw/zinc/89/04/22/753890422.db2.gz BLSBZINKFLALSO-WCQYABFASA-N 1 1 280.328 1.558 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480839 753890423 /nfs/dbraw/zinc/89/04/23/753890423.db2.gz BLSBZINKFLALSO-WCQYABFASA-N 1 1 280.328 1.558 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789505351 754013879 /nfs/dbraw/zinc/01/38/79/754013879.db2.gz KUNKFKDVGMFFCK-WDEREUQCSA-N 1 1 266.301 1.392 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789505351 754013886 /nfs/dbraw/zinc/01/38/86/754013886.db2.gz KUNKFKDVGMFFCK-WDEREUQCSA-N 1 1 266.301 1.392 20 5 CDBDMO COC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591990 754105846 /nfs/dbraw/zinc/10/58/46/754105846.db2.gz NRUGVEDOIDUWBH-ZIAGYGMSSA-N 1 1 280.324 1.739 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877094093 754218288 /nfs/dbraw/zinc/21/82/88/754218288.db2.gz GWRFPVDJAVNFIG-UHFFFAOYSA-N 1 1 287.732 1.691 20 5 CDBDMO C[C@@H](O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886005746 754223431 /nfs/dbraw/zinc/22/34/31/754223431.db2.gz IZZMWZFYNXSTIJ-SNVBAGLBSA-N 1 1 265.313 1.583 20 5 CDBDMO C[N@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000057088869 754245996 /nfs/dbraw/zinc/24/59/96/754245996.db2.gz QHEVAXSCYKHBKP-UHFFFAOYSA-N 1 1 277.280 1.802 20 5 CDBDMO C[N@@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000057088869 754246002 /nfs/dbraw/zinc/24/60/02/754246002.db2.gz QHEVAXSCYKHBKP-UHFFFAOYSA-N 1 1 277.280 1.802 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884483263 754675430 /nfs/dbraw/zinc/67/54/30/754675430.db2.gz QLYAEUPUOMKKGJ-WDEREUQCSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000884483263 754675434 /nfs/dbraw/zinc/67/54/34/754675434.db2.gz QLYAEUPUOMKKGJ-WDEREUQCSA-N 1 1 266.301 1.250 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C ZINC000819999947 754710567 /nfs/dbraw/zinc/71/05/67/754710567.db2.gz WFXDVZZFRDWGDU-UHFFFAOYSA-N 1 1 267.285 1.494 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000882959998 754860584 /nfs/dbraw/zinc/86/05/84/754860584.db2.gz WKXJXLUNMRIFIO-JTQLQIEISA-N 1 1 250.302 1.683 20 5 CDBDMO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000783919912 754956455 /nfs/dbraw/zinc/95/64/55/754956455.db2.gz IETMTVNKTLKSFW-SNVBAGLBSA-N 1 1 293.323 1.515 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000783919912 754956457 /nfs/dbraw/zinc/95/64/57/754956457.db2.gz IETMTVNKTLKSFW-SNVBAGLBSA-N 1 1 293.323 1.515 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933863194 755133774 /nfs/dbraw/zinc/13/37/74/755133774.db2.gz CLSPGIFHZSYMEU-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855286262 755143148 /nfs/dbraw/zinc/14/31/48/755143148.db2.gz NSFAOYJHFQICDH-LLVKDONJSA-N 1 1 285.388 1.811 20 5 CDBDMO COc1ccc([C@@H](O)C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC000930531706 755320522 /nfs/dbraw/zinc/32/05/22/755320522.db2.gz AHFYSHUFFWQBMA-OAHLLOKOSA-N 1 1 294.351 1.717 20 5 CDBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889861 755408461 /nfs/dbraw/zinc/40/84/61/755408461.db2.gz PKRXRKLAOHFOAD-CQSZACIVSA-N 1 1 293.367 1.654 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000062010103 755409226 /nfs/dbraw/zinc/40/92/26/755409226.db2.gz BWTCARUADPPNSQ-UHFFFAOYSA-N 1 1 281.287 1.558 20 5 CDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839616137 755508278 /nfs/dbraw/zinc/50/82/78/755508278.db2.gz ZOHOFNYBAYXHSP-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616137 755508286 /nfs/dbraw/zinc/50/82/86/755508286.db2.gz ZOHOFNYBAYXHSP-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616137 755508294 /nfs/dbraw/zinc/50/82/94/755508294.db2.gz ZOHOFNYBAYXHSP-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)CCO ZINC000884824595 755648589 /nfs/dbraw/zinc/64/85/89/755648589.db2.gz CYUBOXZNXRPPCA-UHFFFAOYSA-N 1 1 253.302 1.239 20 5 CDBDMO O=[N+]([O-])CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000930046879 755698237 /nfs/dbraw/zinc/69/82/37/755698237.db2.gz JVZPYBDKCNRZMI-UHFFFAOYSA-N 1 1 272.732 1.801 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000930046879 755698243 /nfs/dbraw/zinc/69/82/43/755698243.db2.gz JVZPYBDKCNRZMI-UHFFFAOYSA-N 1 1 272.732 1.801 20 5 CDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000886595458 755848203 /nfs/dbraw/zinc/84/82/03/755848203.db2.gz JIKULEKXUQTHPQ-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000886595458 755848204 /nfs/dbraw/zinc/84/82/04/755848204.db2.gz JIKULEKXUQTHPQ-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO Cc1noc(C)c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157642146 755924139 /nfs/dbraw/zinc/92/41/39/755924139.db2.gz ZQXSIXJVVTUPDI-UHFFFAOYSA-N 1 1 279.300 1.528 20 5 CDBDMO Cc1noc(C)c1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157642146 755924145 /nfs/dbraw/zinc/92/41/45/755924145.db2.gz ZQXSIXJVVTUPDI-UHFFFAOYSA-N 1 1 279.300 1.528 20 5 CDBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928564095 756162991 /nfs/dbraw/zinc/16/29/91/756162991.db2.gz RHQROWFTCQITPA-GFCCVEGCSA-N 1 1 277.324 1.591 20 5 CDBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928564095 756162992 /nfs/dbraw/zinc/16/29/92/756162992.db2.gz RHQROWFTCQITPA-GFCCVEGCSA-N 1 1 277.324 1.591 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000845727670 756306182 /nfs/dbraw/zinc/30/61/82/756306182.db2.gz DTHZGLMCKNNOPO-IVZWLZJFSA-N 1 1 256.302 1.068 20 5 CDBDMO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845727670 756306188 /nfs/dbraw/zinc/30/61/88/756306188.db2.gz DTHZGLMCKNNOPO-IVZWLZJFSA-N 1 1 256.302 1.068 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000845727670 756306192 /nfs/dbraw/zinc/30/61/92/756306192.db2.gz DTHZGLMCKNNOPO-IVZWLZJFSA-N 1 1 256.302 1.068 20 5 CDBDMO CCO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932973506 756494334 /nfs/dbraw/zinc/49/43/34/756494334.db2.gz JQUPUKPIDUINII-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598033 756507000 /nfs/dbraw/zinc/50/70/00/756507000.db2.gz OMYVVPIDNGHMJR-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO CCc1nn(C)c(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712543502 756827100 /nfs/dbraw/zinc/82/71/00/756827100.db2.gz QOUMNMKNOALUSZ-MRVPVSSYSA-N 1 1 253.306 1.007 20 5 CDBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000712543502 756827102 /nfs/dbraw/zinc/82/71/02/756827102.db2.gz QOUMNMKNOALUSZ-MRVPVSSYSA-N 1 1 253.306 1.007 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000884482452 756838626 /nfs/dbraw/zinc/83/86/26/756838626.db2.gz BJWTWJWOHIMMFN-QWHCGFSZSA-N 1 1 294.355 1.867 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712287715 756850181 /nfs/dbraw/zinc/85/01/81/756850181.db2.gz BSNAVDTYGMAOFZ-SCDSUCTJSA-N 1 1 262.309 1.798 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840191036 756875038 /nfs/dbraw/zinc/87/50/38/756875038.db2.gz ZOIUIAWHZYBTLL-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840191036 756875040 /nfs/dbraw/zinc/87/50/40/756875040.db2.gz ZOIUIAWHZYBTLL-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815640 756880404 /nfs/dbraw/zinc/88/04/04/756880404.db2.gz HCLINDIKMUPYKQ-QWHCGFSZSA-N 1 1 294.355 1.601 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852636157 756946901 /nfs/dbraw/zinc/94/69/01/756946901.db2.gz OYEZBHOWZXNKDL-YRGRVCCFSA-N 1 1 262.309 1.970 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886121167 757404399 /nfs/dbraw/zinc/40/43/99/757404399.db2.gz WZDCMYHWJNFSSU-VHSXEESVSA-N 1 1 251.286 1.193 20 5 CDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000931669113 757814069 /nfs/dbraw/zinc/81/40/69/757814069.db2.gz SBOCVHMWUUINJM-ZDUSSCGKSA-N 1 1 296.323 1.462 20 5 CDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832445694 758031310 /nfs/dbraw/zinc/03/13/10/758031310.db2.gz CGMHLMXSCNCUFR-DGCLKSJQSA-N 1 1 284.287 1.627 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000158930461 758132537 /nfs/dbraw/zinc/13/25/37/758132537.db2.gz FITRANKWPVMWEN-NXEZZACHSA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886568839 758306347 /nfs/dbraw/zinc/30/63/47/758306347.db2.gz XJDJIWHXZWHVRM-SCRDCRAPSA-N 1 1 294.376 1.923 20 5 CDBDMO CC(C)(CCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC000835395510 758497065 /nfs/dbraw/zinc/49/70/65/758497065.db2.gz GMVJDBKLDLOMTD-VXGBXAGGSA-N 1 1 284.356 1.992 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928564941 758758722 /nfs/dbraw/zinc/75/87/22/758758722.db2.gz XNYGCJLZNYKZPX-SNVBAGLBSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928564941 758758733 /nfs/dbraw/zinc/75/87/33/758758733.db2.gz XNYGCJLZNYKZPX-SNVBAGLBSA-N 1 1 283.715 1.682 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229204 912319804 /nfs/dbraw/zinc/31/98/04/912319804.db2.gz RNZSHLHGUXZXBQ-DFBGVHRSSA-N 1 1 294.351 1.871 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225663017 903624521 /nfs/dbraw/zinc/62/45/21/903624521.db2.gz PUNOVGNXDJNDQR-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001126936865 909943399 /nfs/dbraw/zinc/94/33/99/909943399.db2.gz VGJDIICLIGGSRA-ZIAGYGMSSA-N 1 1 291.351 1.174 20 5 CDBDMO NCC[N@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900444 912036433 /nfs/dbraw/zinc/03/64/33/912036433.db2.gz UBHHHVHKKQXVET-CQSZACIVSA-N 1 1 293.367 1.095 20 5 CDBDMO NCC[N@@H+](CCO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900444 912036446 /nfs/dbraw/zinc/03/64/46/912036446.db2.gz UBHHHVHKKQXVET-CQSZACIVSA-N 1 1 293.367 1.095 20 5 CDBDMO [NH3+][C@@H]1C[C@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908865 912039247 /nfs/dbraw/zinc/03/92/47/912039247.db2.gz ATIMVXJUIFWRBC-MRVWCRGKSA-N 1 1 261.325 1.531 20 5 CDBDMO O=C1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172910411 912103979 /nfs/dbraw/zinc/10/39/79/912103979.db2.gz ZEQUAORFYYRMTQ-ZDUSSCGKSA-N 1 1 289.335 1.274 20 5 CDBDMO O=C1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172910411 912103984 /nfs/dbraw/zinc/10/39/84/912103984.db2.gz ZEQUAORFYYRMTQ-ZDUSSCGKSA-N 1 1 289.335 1.274 20 5 CDBDMO Cc1c([N+](=O)[O-])cc(F)cc1-n1cnc(C[NH3+])n1 ZINC001168753426 922488135 /nfs/dbraw/zinc/48/81/35/922488135.db2.gz DUJXXKRTTIBANQ-UHFFFAOYSA-N 1 1 251.221 1.082 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001168754113 922565464 /nfs/dbraw/zinc/56/54/64/922565464.db2.gz NZZXLRWUPZXVOD-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO CCO[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027460 927632576 /nfs/dbraw/zinc/63/25/76/927632576.db2.gz PYWNWQKWWFMOSX-JHJVBQTASA-N 1 1 256.346 1.933 20 5 CDBDMO CC(C)(C)[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036737 927647256 /nfs/dbraw/zinc/64/72/56/927647256.db2.gz PWJYWBVVRGCTPR-CHWSQXEVSA-N 1 1 269.389 1.848 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCOC3)C1 ZINC001169040039 927655041 /nfs/dbraw/zinc/65/50/41/927655041.db2.gz XEFYPJLVPKCIRC-FRRDWIJNSA-N 1 1 254.330 1.687 20 5 CDBDMO CC[N@H+](CCCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046730 927665896 /nfs/dbraw/zinc/66/58/96/927665896.db2.gz MIQDLCCBGQKLJV-STQMWFEESA-N 1 1 257.378 1.705 20 5 CDBDMO CC[N@@H+](CCCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046730 927665899 /nfs/dbraw/zinc/66/58/99/927665899.db2.gz MIQDLCCBGQKLJV-STQMWFEESA-N 1 1 257.378 1.705 20 5 CDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026920 927667129 /nfs/dbraw/zinc/66/71/29/927667129.db2.gz OJKWTZALYLXKCV-YNEHKIRRSA-N 1 1 269.345 1.032 20 5 CDBDMO O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]2CCCN12 ZINC001169052063 927668828 /nfs/dbraw/zinc/66/88/28/927668828.db2.gz FUMSUGLWXODJOD-XQQFMLRXSA-N 1 1 281.356 1.129 20 5 CDBDMO CCN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051402 927669630 /nfs/dbraw/zinc/66/96/30/927669630.db2.gz DOPHIHTZQFPZSW-AGIUHOORSA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@@H+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051402 927669635 /nfs/dbraw/zinc/66/96/35/927669635.db2.gz DOPHIHTZQFPZSW-AGIUHOORSA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@H+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051402 927669639 /nfs/dbraw/zinc/66/96/39/927669639.db2.gz DOPHIHTZQFPZSW-AGIUHOORSA-N 1 1 255.362 1.458 20 5 CDBDMO O=C1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]2CCCN12 ZINC001169052065 927670109 /nfs/dbraw/zinc/67/01/09/927670109.db2.gz FUMSUGLWXODJOD-YNEHKIRRSA-N 1 1 281.356 1.129 20 5 CDBDMO COC(=O)[C@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057698 927675232 /nfs/dbraw/zinc/67/52/32/927675232.db2.gz XBBSSQIAIGRJFE-USZNOCQGSA-N 1 1 270.329 1.173 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057493 927675350 /nfs/dbraw/zinc/67/53/50/927675350.db2.gz WATRSLXHYZEEAL-APIJFGDWSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057493 927675356 /nfs/dbraw/zinc/67/53/56/927675356.db2.gz WATRSLXHYZEEAL-APIJFGDWSA-N 1 1 299.390 1.940 20 5 CDBDMO COc1cnc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266479 929411747 /nfs/dbraw/zinc/41/17/47/929411747.db2.gz SXJNPVLVEUSCOF-GXFFZTMASA-N 1 1 292.339 1.529 20 5 CDBDMO CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530817 937390824 /nfs/dbraw/zinc/39/08/24/937390824.db2.gz SPRPIDSWSFSPPN-CHWSQXEVSA-N 1 1 297.399 1.716 20 5 CDBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](N)CCC[NH3+] ZINC001170901329 930701741 /nfs/dbraw/zinc/70/17/41/930701741.db2.gz ZKMWQOHVJNFTKX-LLVKDONJSA-N 1 1 296.327 1.207 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249927 930839105 /nfs/dbraw/zinc/83/91/05/930839105.db2.gz WFRVNWLTBSVWFI-MNOVXSKESA-N 1 1 265.313 1.440 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884363 937844748 /nfs/dbraw/zinc/84/47/48/937844748.db2.gz NNIXZZFEMRPFNE-JTQLQIEISA-N 1 1 290.327 1.534 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001156580236 938388579 /nfs/dbraw/zinc/38/85/79/938388579.db2.gz IIQWBIAJXLQPNK-QMMMGPOBSA-N 1 1 256.693 1.759 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001157259877 938470341 /nfs/dbraw/zinc/47/03/41/938470341.db2.gz GQOAMDGACZCCCQ-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001160934639 938845466 /nfs/dbraw/zinc/84/54/66/938845466.db2.gz POMPIMRLFZLDOG-UHFFFAOYSA-N 1 1 287.279 1.258 20 5 CDBDMO Cn1cc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC001162598766 939100193 /nfs/dbraw/zinc/10/01/93/939100193.db2.gz XYTMPYAXIYEFTG-UHFFFAOYSA-N 1 1 293.371 1.783 20 5 CDBDMO COc1cc(N2CC[N@@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165199269 939522951 /nfs/dbraw/zinc/52/29/51/939522951.db2.gz MYPQNDSSHKWNMP-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO COC(=O)[C@@H](O[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638874 941689145 /nfs/dbraw/zinc/68/91/45/941689145.db2.gz ABWVCUZTILHDEE-GWCFXTLKSA-N 1 1 294.307 1.530 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295040 942164014 /nfs/dbraw/zinc/16/40/14/942164014.db2.gz IBLTVALNZVIEDK-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228014290 942256920 /nfs/dbraw/zinc/25/69/20/942256920.db2.gz HMDLZYHSHSHTJV-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO Cc1[nH]c(=O)cc(OC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686220 942357162 /nfs/dbraw/zinc/35/71/62/942357162.db2.gz MRDWGJPZORFXIN-UHFFFAOYSA-N 1 1 281.312 1.865 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230871922 942717974 /nfs/dbraw/zinc/71/79/74/942717974.db2.gz HTVNTMOQMBWKMI-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO COCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230939135 942737961 /nfs/dbraw/zinc/73/79/61/942737961.db2.gz ACDFXUQAIMERAI-UHFFFAOYSA-N 1 1 295.339 1.179 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053262 942769222 /nfs/dbraw/zinc/76/92/22/942769222.db2.gz NBWPHZJQBXSTNF-VIFPVBQESA-N 1 1 274.280 1.621 20 5 CDBDMO CN1CCC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254575205 947535038 /nfs/dbraw/zinc/53/50/38/947535038.db2.gz PPFQPLBRSMXYFN-IUODEOHRSA-N 1 1 289.379 1.993 20 5 CDBDMO CCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247619616 948683823 /nfs/dbraw/zinc/68/38/23/948683823.db2.gz QNYPVSNYIDPQJK-ZETCQYMHSA-N 1 1 281.247 1.979 20 5 CDBDMO O=C1NCC[C@@H]1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326718093 954510469 /nfs/dbraw/zinc/51/04/69/954510469.db2.gz ZDHMOUBBWJSKHA-SNVBAGLBSA-N 1 1 275.308 1.437 20 5 CDBDMO O=C1NCC[C@@H]1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326718093 954510478 /nfs/dbraw/zinc/51/04/78/954510478.db2.gz ZDHMOUBBWJSKHA-SNVBAGLBSA-N 1 1 275.308 1.437 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001306917047 956350744 /nfs/dbraw/zinc/35/07/44/956350744.db2.gz BXCFOCSTRZGOIX-NSHDSACASA-N 1 1 297.359 1.097 20 5 CDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884943 956452055 /nfs/dbraw/zinc/45/20/55/956452055.db2.gz WQHMCSTYYBVWGD-SCVCMEIPSA-N 1 1 292.339 1.464 20 5 CDBDMO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC001331492949 957100635 /nfs/dbraw/zinc/10/06/35/957100635.db2.gz JFLJCVHDRNWIAY-GWCFXTLKSA-N 1 1 294.311 1.024 20 5 CDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC001331492949 957100639 /nfs/dbraw/zinc/10/06/39/957100639.db2.gz JFLJCVHDRNWIAY-GWCFXTLKSA-N 1 1 294.311 1.024 20 5 CDBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])n1 ZINC001334615608 959240846 /nfs/dbraw/zinc/24/08/46/959240846.db2.gz QACRRIOMQCKHQT-LBPRGKRZSA-N 1 1 264.329 1.543 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335252883 959665753 /nfs/dbraw/zinc/66/57/53/959665753.db2.gz QOACPEWFPCBFGP-ZDUSSCGKSA-N 1 1 290.323 1.324 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001337206394 961025701 /nfs/dbraw/zinc/02/57/01/961025701.db2.gz RJPIHMNKHIWLGY-LBPRGKRZSA-N 1 1 291.351 1.631 20 5 CDBDMO Cc1nn(C)c(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187125 342489353 /nfs/dbraw/zinc/48/93/53/342489353.db2.gz OQOLPAYYRJMICS-UHFFFAOYSA-N 1 1 267.333 1.167 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]21 ZINC000590719127 342585868 /nfs/dbraw/zinc/58/58/68/342585868.db2.gz VWTMLEDMABMXLR-SCZZXKLOSA-N 1 1 253.327 1.797 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591153157 342619795 /nfs/dbraw/zinc/61/97/95/342619795.db2.gz JDCMVKSJQDUBHF-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591153157 342619796 /nfs/dbraw/zinc/61/97/96/342619796.db2.gz JDCMVKSJQDUBHF-IUCAKERBSA-N 1 1 268.292 1.658 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000592495893 342697099 /nfs/dbraw/zinc/69/70/99/342697099.db2.gz WEOWIPSJWGRJHV-GFCCVEGCSA-N 1 1 263.341 1.679 20 5 CDBDMO CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000573562353 361897899 /nfs/dbraw/zinc/89/78/99/361897899.db2.gz ZYRKPDZYFIGVLX-JTQLQIEISA-N 1 1 265.313 1.724 20 5 CDBDMO CC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000573562353 361897900 /nfs/dbraw/zinc/89/79/00/361897900.db2.gz ZYRKPDZYFIGVLX-JTQLQIEISA-N 1 1 265.313 1.724 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000158550129 342290378 /nfs/dbraw/zinc/29/03/78/342290378.db2.gz SHZBSKLZWANCRD-IUCAKERBSA-N 1 1 251.290 1.279 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN(C)C ZINC000595047530 342999323 /nfs/dbraw/zinc/99/93/23/342999323.db2.gz GLUSYRGRPYUMJP-JTQLQIEISA-N 1 1 267.329 1.816 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595773931 343148152 /nfs/dbraw/zinc/14/81/52/343148152.db2.gz XVKBXOBLODKDLG-GXFFZTMASA-N 1 1 280.324 1.949 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC1(C)C ZINC000595912459 343190451 /nfs/dbraw/zinc/19/04/51/343190451.db2.gz MSCOHICTBXLVTD-CMPLNLGQSA-N 1 1 282.344 1.130 20 5 CDBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596126826 343237774 /nfs/dbraw/zinc/23/77/74/343237774.db2.gz QOBWDEZZZBABLZ-LLVKDONJSA-N 1 1 293.371 1.670 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000093343111 342422407 /nfs/dbraw/zinc/42/24/07/342422407.db2.gz CHIYXVZFYJCAAW-SKDRFNHKSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000093343111 342422408 /nfs/dbraw/zinc/42/24/08/342422408.db2.gz CHIYXVZFYJCAAW-SKDRFNHKSA-N 1 1 291.307 1.939 20 5 CDBDMO Cc1ccc(C[N@@H+](C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597208299 343474881 /nfs/dbraw/zinc/47/48/81/343474881.db2.gz ZHLDRFJYIRSUOM-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597700550 343603469 /nfs/dbraw/zinc/60/34/69/343603469.db2.gz NJFHJCATRYCEBS-WCBMZHEXSA-N 1 1 295.343 1.045 20 5 CDBDMO COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598594167 343839676 /nfs/dbraw/zinc/83/96/76/343839676.db2.gz ZRKQDTPXXBGJQL-VIFPVBQESA-N 1 1 294.311 1.140 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCSC1 ZINC000602798204 344588798 /nfs/dbraw/zinc/58/87/98/344588798.db2.gz YKAIUVKXNHJCRF-JTQLQIEISA-N 1 1 270.358 1.537 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCC(CO)CC1 ZINC000602799317 344589334 /nfs/dbraw/zinc/58/93/34/344589334.db2.gz RRRNSRYMOBMYHP-UHFFFAOYSA-N 1 1 296.371 1.583 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000154854511 362453122 /nfs/dbraw/zinc/45/31/22/362453122.db2.gz JUVGQLQFTWEHFU-ZANVPECISA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000154854511 362453125 /nfs/dbraw/zinc/45/31/25/362453125.db2.gz JUVGQLQFTWEHFU-ZANVPECISA-N 1 1 283.303 1.865 20 5 CDBDMO CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826552 344612211 /nfs/dbraw/zinc/61/22/11/344612211.db2.gz BUNRJSJAOCBWPK-NSHDSACASA-N 1 1 281.360 1.126 20 5 CDBDMO CC(C)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603845969 344838140 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Cc1nn(C)c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000037649739 346362728 /nfs/dbraw/zinc/36/27/28/346362728.db2.gz NKLZFXSSDLMVGO-JTQLQIEISA-N 1 1 279.344 1.533 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000611299258 346741605 /nfs/dbraw/zinc/74/16/05/346741605.db2.gz ZFSAFCAQQWIGLO-IUCAKERBSA-N 1 1 295.368 1.833 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000053637206 347750501 /nfs/dbraw/zinc/75/05/01/347750501.db2.gz OJDJCRZVWUNKAW-UHFFFAOYSA-N 1 1 266.301 1.091 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673736 186184368 /nfs/dbraw/zinc/18/43/68/186184368.db2.gz ZLBVCCCHNLSURS-SNVBAGLBSA-N 1 1 266.301 1.122 20 5 CDBDMO Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312522550 350783345 /nfs/dbraw/zinc/78/33/45/350783345.db2.gz OSMMFDWSXLPOSB-UWVGGRQHSA-N 1 1 277.328 1.611 20 5 CDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000267879174 363186333 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CCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495729 357360519 /nfs/dbraw/zinc/36/05/19/357360519.db2.gz QHABUPNCFUTDNI-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495729 357360525 /nfs/dbraw/zinc/36/05/25/357360525.db2.gz QHABUPNCFUTDNI-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000283374560 357554546 /nfs/dbraw/zinc/55/45/46/357554546.db2.gz RFNUCHWTAONBSK-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676249 357566013 /nfs/dbraw/zinc/56/60/13/357566013.db2.gz JQRLGMKOEUQBHK-CMPLNLGQSA-N 1 1 252.318 1.912 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264635385 357582292 /nfs/dbraw/zinc/58/22/92/357582292.db2.gz OZQKXSFEBAIOIG-SYTKJHMZSA-N 1 1 289.335 1.676 20 5 CDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072953656 357859481 /nfs/dbraw/zinc/85/94/81/357859481.db2.gz 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CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330448907 374852789 /nfs/dbraw/zinc/85/27/89/374852789.db2.gz HLGXNHMRXXNWDV-CYBMUJFWSA-N 1 1 266.297 1.647 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960493 374976596 /nfs/dbraw/zinc/97/65/96/374976596.db2.gz HCHNXRUOMZYQEV-GFCCVEGCSA-N 1 1 268.317 1.028 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280533295 375003236 /nfs/dbraw/zinc/00/32/36/375003236.db2.gz CZUCKDRLNKLNBF-AWEZNQCLSA-N 1 1 277.324 1.553 20 5 CDBDMO CC1=CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280701072 375014563 /nfs/dbraw/zinc/01/45/63/375014563.db2.gz CKDCVUGKCOZLHM-UHFFFAOYSA-N 1 1 263.297 1.409 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332219070 375016740 /nfs/dbraw/zinc/01/67/40/375016740.db2.gz IPICDSMPFLWOMN-JTQLQIEISA-N 1 1 289.339 1.607 20 5 CDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282463397 375087795 /nfs/dbraw/zinc/08/77/95/375087795.db2.gz KBHROYVFHBDMDY-GFCCVEGCSA-N 1 1 298.314 1.971 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282463397 375087803 /nfs/dbraw/zinc/08/78/03/375087803.db2.gz KBHROYVFHBDMDY-GFCCVEGCSA-N 1 1 298.314 1.971 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282636815 375096659 /nfs/dbraw/zinc/09/66/59/375096659.db2.gz ZAFFFDQOQITAPG-UHFFFAOYSA-N 1 1 288.731 1.689 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471946519 375059954 /nfs/dbraw/zinc/05/99/54/375059954.db2.gz MUSAWKWMHGPGOL-LLVKDONJSA-N 1 1 291.351 1.933 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471946519 375059965 /nfs/dbraw/zinc/05/99/65/375059965.db2.gz MUSAWKWMHGPGOL-LLVKDONJSA-N 1 1 291.351 1.933 20 5 CDBDMO CC[C@@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000161841990 375191910 /nfs/dbraw/zinc/19/19/10/375191910.db2.gz YUARZVCDOASBBU-SMDDNHRTSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000304346239 375431840 /nfs/dbraw/zinc/43/18/40/375431840.db2.gz QJIKBVKXKUTPAF-CQSZACIVSA-N 1 1 296.371 1.807 20 5 CDBDMO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000231666827 375796077 /nfs/dbraw/zinc/79/60/77/375796077.db2.gz JQEKAFGLDMJFSQ-KOLCDFICSA-N 1 1 263.297 1.476 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000174830385 379587570 /nfs/dbraw/zinc/58/75/70/379587570.db2.gz VCBQHMBUZBEVIF-LLVKDONJSA-N 1 1 290.327 1.394 20 5 CDBDMO C[C@@H]1Cc2[nH+]cn(Cc3c([N+](=O)[O-])ncn3C)c2C[C@H]1C ZINC000451005396 390587865 /nfs/dbraw/zinc/58/78/65/390587865.db2.gz YGYDMBIUXMRFHJ-NXEZZACHSA-N 1 1 289.339 1.944 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000531101385 390557571 /nfs/dbraw/zinc/55/75/71/390557571.db2.gz BXIAJICGEPJFHU-AOOOYVTPSA-N 1 1 270.358 1.617 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451637691 390638948 /nfs/dbraw/zinc/63/89/48/390638948.db2.gz YDUONBUDJHIWIU-OCCSQVGLSA-N 1 1 291.351 1.610 20 5 CDBDMO COc1cc(C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184200701 391073211 /nfs/dbraw/zinc/07/32/11/391073211.db2.gz IQICOGFGKSAKFK-SNVBAGLBSA-N 1 1 284.287 1.699 20 5 CDBDMO COc1cc(C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000184200701 391073218 /nfs/dbraw/zinc/07/32/18/391073218.db2.gz IQICOGFGKSAKFK-SNVBAGLBSA-N 1 1 284.287 1.699 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000343611636 391636260 /nfs/dbraw/zinc/63/62/60/391636260.db2.gz KXLGJQDOEZDFBU-UONOGXRCSA-N 1 1 289.335 1.614 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000189611706 130000837 /nfs/dbraw/zinc/00/08/37/130000837.db2.gz RUCLQXCNFJUCTJ-GFCCVEGCSA-N 1 1 268.317 1.028 20 5 CDBDMO C[C@H]1CSCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470138 130107741 /nfs/dbraw/zinc/10/77/41/130107741.db2.gz LOVPMZDISSCBJB-SNVBAGLBSA-N 1 1 270.358 1.476 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000275021619 391912043 /nfs/dbraw/zinc/91/20/43/391912043.db2.gz MCHQRHQIMBEMST-JTQLQIEISA-N 1 1 283.303 1.237 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193652627 391921709 /nfs/dbraw/zinc/92/17/09/391921709.db2.gz KUEPLABMVORLMR-BETUJISGSA-N 1 1 261.325 1.588 20 5 CDBDMO CCNCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423235843 392960079 /nfs/dbraw/zinc/96/00/79/392960079.db2.gz BLIFJWMSVHRWFY-RYUDHWBXSA-N 1 1 281.360 1.474 20 5 CDBDMO COCCNCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331610 392962943 /nfs/dbraw/zinc/96/29/43/392962943.db2.gz MRDWZKJHJYWCOS-OAHLLOKOSA-N 1 1 293.367 1.798 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000430240227 393095467 /nfs/dbraw/zinc/09/54/67/393095467.db2.gz LZOAXEOZFQCMFJ-PWSUYJOCSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278793437 393142959 /nfs/dbraw/zinc/14/29/59/393142959.db2.gz QMFGTAFIKPHSHW-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[C@@H]1O ZINC000181469677 148202225 /nfs/dbraw/zinc/20/22/25/148202225.db2.gz RGZVTZWBUOMUCL-RYUDHWBXSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[N@@H+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343670718 152262635 /nfs/dbraw/zinc/26/26/35/152262635.db2.gz VEVBYEYKSPQYAT-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343690432 152268017 /nfs/dbraw/zinc/26/80/17/152268017.db2.gz RBQRTKVACDEAFO-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO Cc1ccn(Cc2[nH+]ccn2C(C)C)c(=O)c1[N+](=O)[O-] ZINC000349164731 154062148 /nfs/dbraw/zinc/06/21/48/154062148.db2.gz ALRAEGJWNBLBJS-UHFFFAOYSA-N 1 1 276.296 1.891 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000352223313 155037125 /nfs/dbraw/zinc/03/71/25/155037125.db2.gz VCMMGSCGINYBBO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359024650 158101483 /nfs/dbraw/zinc/10/14/83/158101483.db2.gz BJXRXPXOANRSLF-UHFFFAOYSA-N 1 1 295.343 1.265 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[C@H](C)C1 ZINC000362149695 159084870 /nfs/dbraw/zinc/08/48/70/159084870.db2.gz NHXBWVSOHBZYMG-STQMWFEESA-N 1 1 296.371 1.928 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362223788 159100597 /nfs/dbraw/zinc/10/05/97/159100597.db2.gz VXYYDEBMFBIYGT-AWEZNQCLSA-N 1 1 291.351 1.501 20 5 CDBDMO CCOCC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285265554 196236872 /nfs/dbraw/zinc/23/68/72/196236872.db2.gz IFVDFYXHYLSSSY-AWEZNQCLSA-N 1 1 296.367 1.857 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569992 196331050 /nfs/dbraw/zinc/33/10/50/196331050.db2.gz HOZUTKBKDVREFX-VXGBXAGGSA-N 1 1 298.339 1.301 20 5 CDBDMO Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000078543580 177352317 /nfs/dbraw/zinc/35/23/17/177352317.db2.gz GABFJRGXYXUOQR-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000291488636 263123288 /nfs/dbraw/zinc/12/32/88/263123288.db2.gz GQFXQAGDZXKTGF-LLVKDONJSA-N 1 1 297.359 1.028 20 5 CDBDMO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC001590047352 1173235744 /nfs/dbraw/zinc/23/57/44/1173235744.db2.gz WKVRVRRFQSUPJE-VIFPVBQESA-N 1 1 276.300 1.136 20 5 CDBDMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275638816 274365912 /nfs/dbraw/zinc/36/59/12/274365912.db2.gz WJZUUWFQMGLXCQ-GFCCVEGCSA-N 1 1 293.367 1.876 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685535 277353477 /nfs/dbraw/zinc/35/34/77/277353477.db2.gz SQAINFHKFWMVHN-ZWNOBZJWSA-N 1 1 278.308 1.978 20 5 CDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286501275 278903847 /nfs/dbraw/zinc/90/38/47/278903847.db2.gz YFNTVFFKSWRBLS-IUODEOHRSA-N 1 1 291.351 1.894 20 5 CDBDMO C[C@@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090549841 279072864 /nfs/dbraw/zinc/07/28/64/279072864.db2.gz QIRRZUHNYHYFBW-QWRGUYRKSA-N 1 1 297.380 1.582 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602521 279149190 /nfs/dbraw/zinc/14/91/90/279149190.db2.gz RULAYIIWJUXIJE-LBPRGKRZSA-N 1 1 266.297 1.429 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522188854 281091578 /nfs/dbraw/zinc/09/15/78/281091578.db2.gz GKHQRRAAQBIWOE-UHFFFAOYSA-N 1 1 295.295 1.005 20 5 CDBDMO Cc1c(CNC(=O)[C@H](C)[NH+]2CC(C)C2)cccc1[N+](=O)[O-] ZINC000569376670 294190936 /nfs/dbraw/zinc/19/09/36/294190936.db2.gz CQRLGWNPUKKWTB-LBPRGKRZSA-N 1 1 291.351 1.860 20 5 CDBDMO [NH3+]CC(F)(F)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000579606635 324233293 /nfs/dbraw/zinc/23/32/93/324233293.db2.gz BUAIVFJFRVVDST-UHFFFAOYSA-N 1 1 285.250 1.468 20 5 CDBDMO C[C@H]1[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000363792652 525002941 /nfs/dbraw/zinc/00/29/41/525002941.db2.gz FZNYSOHGQQTQQF-GFCCVEGCSA-N 1 1 294.355 1.682 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000337292224 526303917 /nfs/dbraw/zinc/30/39/17/526303917.db2.gz FNNMGSBZVLEXEZ-UHFFFAOYSA-N 1 1 283.715 1.684 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191732405 536862150 /nfs/dbraw/zinc/86/21/50/536862150.db2.gz GHGSDRTVJKMFGX-PWSUYJOCSA-N 1 1 280.324 1.664 20 5 CDBDMO COC1(C)CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000774642416 575222917 /nfs/dbraw/zinc/22/29/17/575222917.db2.gz AOANLEGFAPSKLM-UHFFFAOYSA-N 1 1 282.344 1.867 20 5 CDBDMO COC1CCC([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000734475639 575350239 /nfs/dbraw/zinc/35/02/39/575350239.db2.gz VDILOAFIDGHKRL-UHFFFAOYSA-N 1 1 268.317 1.638 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286833 575564676 /nfs/dbraw/zinc/56/46/76/575564676.db2.gz GQHFMLYZKFCBHN-WDEREUQCSA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893724 576441490 /nfs/dbraw/zinc/44/14/90/576441490.db2.gz OJRTVPRXSYXAJI-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000747983807 576891546 /nfs/dbraw/zinc/89/15/46/576891546.db2.gz HWRDTHPLFBDLJX-SNVBAGLBSA-N 1 1 292.339 1.262 20 5 CDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000747983807 576891547 /nfs/dbraw/zinc/89/15/47/576891547.db2.gz HWRDTHPLFBDLJX-SNVBAGLBSA-N 1 1 292.339 1.262 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000747986992 576891954 /nfs/dbraw/zinc/89/19/54/576891954.db2.gz RWFSSFANXSMTKT-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000747986992 576891955 /nfs/dbraw/zinc/89/19/55/576891955.db2.gz RWFSSFANXSMTKT-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000750050088 576973653 /nfs/dbraw/zinc/97/36/53/576973653.db2.gz ALANKIOREVJXIE-WFASDCNBSA-N 1 1 294.351 1.723 20 5 CDBDMO COc1c(O)ccc(C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000891491993 617440624 /nfs/dbraw/zinc/44/06/24/617440624.db2.gz RDHUYBKPWHJOAZ-UHFFFAOYSA-N 1 1 282.296 1.266 20 5 CDBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+](C2CC2)CC1 ZINC000892075954 617464931 /nfs/dbraw/zinc/46/49/31/617464931.db2.gz QMAHAZIWIGOETM-UHFFFAOYSA-N 1 1 289.295 1.415 20 5 CDBDMO COc1c(O)ccc(C[NH2+]C[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000893343800 617609601 /nfs/dbraw/zinc/60/96/01/617609601.db2.gz KDQGBMUZOUVEDZ-SECBINFHSA-N 1 1 283.328 1.349 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CCCCO)c1[N+](=O)[O-] ZINC000893948536 618214613 /nfs/dbraw/zinc/21/46/13/618214613.db2.gz FGZCJCGMQTWPFR-UHFFFAOYSA-N 1 1 284.312 1.513 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000928564274 619399011 /nfs/dbraw/zinc/39/90/11/619399011.db2.gz UNCJOVMAHXLCJY-ZDUSSCGKSA-N 1 1 291.351 1.693 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000928564274 619399014 /nfs/dbraw/zinc/39/90/14/619399014.db2.gz UNCJOVMAHXLCJY-ZDUSSCGKSA-N 1 1 291.351 1.693 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573227 619423559 /nfs/dbraw/zinc/42/35/59/619423559.db2.gz NLTPLTCINVYKDT-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573227 619423562 /nfs/dbraw/zinc/42/35/62/619423562.db2.gz NLTPLTCINVYKDT-VIFPVBQESA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245409 619486706 /nfs/dbraw/zinc/48/67/06/619486706.db2.gz ASXSLXJZOAKESP-YGRLFVJLSA-N 1 1 296.346 1.780 20 5 CDBDMO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246750 619493232 /nfs/dbraw/zinc/49/32/32/619493232.db2.gz DINDMFMKFNOXHR-GXSJLCMTSA-N 1 1 284.385 1.703 20 5 CDBDMO COCCOc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000899873592 622499437 /nfs/dbraw/zinc/49/94/37/622499437.db2.gz SNLADPUGTIUZGM-UHFFFAOYSA-N 1 1 254.286 1.078 20 5 CDBDMO CC(C)[N@H+](C)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905049217 626385636 /nfs/dbraw/zinc/38/56/36/626385636.db2.gz IRZGNBNGNFUBAO-UHFFFAOYSA-N 1 1 265.357 1.893 20 5 CDBDMO CC(C)[N@@H+](C)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905049217 626385638 /nfs/dbraw/zinc/38/56/38/626385638.db2.gz IRZGNBNGNFUBAO-UHFFFAOYSA-N 1 1 265.357 1.893 20 5 CDBDMO C[N@@H+](CCCNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905025480 626389855 /nfs/dbraw/zinc/38/98/55/626389855.db2.gz KYQKTLDDTPUIRV-UHFFFAOYSA-N 1 1 251.330 1.375 20 5 CDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000905280223 626734393 /nfs/dbraw/zinc/73/43/93/626734393.db2.gz MRACFAVJPLLKIN-QWRGUYRKSA-N 1 1 277.324 1.219 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167358677 1158637300 /nfs/dbraw/zinc/63/73/00/1158637300.db2.gz ZWWREWPQFMCLLH-UHFFFAOYSA-N 1 1 284.279 1.200 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@H]21 ZINC000828987850 768830584 /nfs/dbraw/zinc/83/05/84/768830584.db2.gz MJCDCOKCRGIPBG-SKDRFNHKSA-N 1 1 292.295 1.643 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000882489129 768873711 /nfs/dbraw/zinc/87/37/11/768873711.db2.gz MIELDGQRDOKZPF-MRVPVSSYSA-N 1 1 299.277 1.697 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000882489129 768873713 /nfs/dbraw/zinc/87/37/13/768873713.db2.gz MIELDGQRDOKZPF-MRVPVSSYSA-N 1 1 299.277 1.697 20 5 CDBDMO CC1(C)OCC(CO)([NH2+]Cc2ccccc2[N+](=O)[O-])CO1 ZINC000788000308 769021661 /nfs/dbraw/zinc/02/16/61/769021661.db2.gz UKEVKRBALVQCGJ-UHFFFAOYSA-N 1 1 296.323 1.198 20 5 CDBDMO CC[C@@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839762649 769303249 /nfs/dbraw/zinc/30/32/49/769303249.db2.gz FBPZRPJTHJMYTA-DDHJBXDOSA-N 1 1 295.339 1.490 20 5 CDBDMO CC(C)=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726043 769378326 /nfs/dbraw/zinc/37/83/26/769378326.db2.gz ZDEDECQPTXLYQX-CHWSQXEVSA-N 1 1 293.367 1.152 20 5 CDBDMO CC(C)=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072726043 769378338 /nfs/dbraw/zinc/37/83/38/769378338.db2.gz ZDEDECQPTXLYQX-CHWSQXEVSA-N 1 1 293.367 1.152 20 5 CDBDMO CC(C)=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072726043 769378352 /nfs/dbraw/zinc/37/83/52/769378352.db2.gz ZDEDECQPTXLYQX-CHWSQXEVSA-N 1 1 293.367 1.152 20 5 CDBDMO COC[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886300725 769804386 /nfs/dbraw/zinc/80/43/86/769804386.db2.gz OMVNNHWIOHZKFX-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO COC[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886300725 769804397 /nfs/dbraw/zinc/80/43/97/769804397.db2.gz OMVNNHWIOHZKFX-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928564525 769816880 /nfs/dbraw/zinc/81/68/80/769816880.db2.gz XPHBDYDWOMAIFN-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928564525 769816881 /nfs/dbraw/zinc/81/68/81/769816881.db2.gz XPHBDYDWOMAIFN-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839637345 769851441 /nfs/dbraw/zinc/85/14/41/769851441.db2.gz XIIUPNBTZIBIJW-NSHDSACASA-N 1 1 295.314 1.644 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000847016591 769873240 /nfs/dbraw/zinc/87/32/40/769873240.db2.gz LQNNPKZKMQHJNP-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178926 770054318 /nfs/dbraw/zinc/05/43/18/770054318.db2.gz UNCXPERCFIYRMI-IAQYHMDHSA-N 1 1 293.367 1.701 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864960151 770201792 /nfs/dbraw/zinc/20/17/92/770201792.db2.gz GJTARHOSRRRKNI-JTQLQIEISA-N 1 1 295.314 1.344 20 5 CDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280529 770453767 /nfs/dbraw/zinc/45/37/67/770453767.db2.gz GIDLERJQBCFQJV-YPMHNXCESA-N 1 1 263.297 1.458 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000929311942 770464898 /nfs/dbraw/zinc/46/48/98/770464898.db2.gz WKFOBOJCOLBFCD-BETUJISGSA-N 1 1 261.325 1.331 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC[C@H]1C ZINC000878374887 770840512 /nfs/dbraw/zinc/84/05/12/770840512.db2.gz YMRFQVBPJHBIAO-SNVBAGLBSA-N 1 1 268.317 1.211 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000839708298 770848044 /nfs/dbraw/zinc/84/80/44/770848044.db2.gz IRUMOABCQYZTAP-FMKGYKFTSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000839708298 770848046 /nfs/dbraw/zinc/84/80/46/770848046.db2.gz IRUMOABCQYZTAP-FMKGYKFTSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000839708298 770848049 /nfs/dbraw/zinc/84/80/49/770848049.db2.gz IRUMOABCQYZTAP-FMKGYKFTSA-N 1 1 293.367 1.127 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879529827 771088924 /nfs/dbraw/zinc/08/89/24/771088924.db2.gz WLEXQZLJXJEABM-TXEJJXNPSA-N 1 1 262.313 1.689 20 5 CDBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930754384 771283429 /nfs/dbraw/zinc/28/34/29/771283429.db2.gz UQYFAKHDJOGDQQ-QWRGUYRKSA-N 1 1 272.345 1.705 20 5 CDBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000930754384 771283430 /nfs/dbraw/zinc/28/34/30/771283430.db2.gz UQYFAKHDJOGDQQ-QWRGUYRKSA-N 1 1 272.345 1.705 20 5 CDBDMO C[C@@H]1CCN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000791051405 771466593 /nfs/dbraw/zinc/46/65/93/771466593.db2.gz CLFOJWWWQAPYNH-CQSZACIVSA-N 1 1 277.368 1.860 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828840138 771510868 /nfs/dbraw/zinc/51/08/68/771510868.db2.gz LLHZBKDNDUYMSL-NSHDSACASA-N 1 1 271.361 1.422 20 5 CDBDMO COC[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000112960507 771799297 /nfs/dbraw/zinc/79/92/97/771799297.db2.gz BOIMOCVZHWXOEK-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000112960507 771799314 /nfs/dbraw/zinc/79/93/14/771799314.db2.gz BOIMOCVZHWXOEK-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337952 771878909 /nfs/dbraw/zinc/87/89/09/771878909.db2.gz FIGQXULYMWFPEW-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337952 771878911 /nfs/dbraw/zinc/87/89/11/771878911.db2.gz FIGQXULYMWFPEW-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO CCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000932970363 772091078 /nfs/dbraw/zinc/09/10/78/772091078.db2.gz GJCZOYRFENVISR-LBPRGKRZSA-N 1 1 293.323 1.305 20 5 CDBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000932970363 772091086 /nfs/dbraw/zinc/09/10/86/772091086.db2.gz GJCZOYRFENVISR-LBPRGKRZSA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@H]1COCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590596 772240811 /nfs/dbraw/zinc/24/08/11/772240811.db2.gz IGQJEFKBCKQPAN-SMDDNHRTSA-N 1 1 280.324 1.739 20 5 CDBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000931669111 772335899 /nfs/dbraw/zinc/33/58/99/772335899.db2.gz SBOCVHMWUUINJM-CYBMUJFWSA-N 1 1 296.323 1.462 20 5 CDBDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930541915 772368394 /nfs/dbraw/zinc/36/83/94/772368394.db2.gz PKUBTKKGSGOZKO-AWEZNQCLSA-N 1 1 278.308 1.080 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000274348907 772435399 /nfs/dbraw/zinc/43/53/99/772435399.db2.gz WKMGKCJAAMHADX-RNCFNFMXSA-N 1 1 298.314 1.945 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000274348907 772435404 /nfs/dbraw/zinc/43/54/04/772435404.db2.gz WKMGKCJAAMHADX-RNCFNFMXSA-N 1 1 298.314 1.945 20 5 CDBDMO C[C@H](C[NH3+])CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841049696 772622438 /nfs/dbraw/zinc/62/24/38/772622438.db2.gz VHHFWRBYXHHRGB-MRVPVSSYSA-N 1 1 257.721 1.933 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000929833071 772646923 /nfs/dbraw/zinc/64/69/23/772646923.db2.gz VMUATKXKYRUAPN-UHFFFAOYSA-N 1 1 262.309 1.785 20 5 CDBDMO Cc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873098609 772834019 /nfs/dbraw/zinc/83/40/19/772834019.db2.gz MHBNMSVXNGWACC-UHFFFAOYSA-N 1 1 275.312 1.662 20 5 CDBDMO Cc1nnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000873098609 772834020 /nfs/dbraw/zinc/83/40/20/772834020.db2.gz MHBNMSVXNGWACC-UHFFFAOYSA-N 1 1 275.312 1.662 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000842619596 772883766 /nfs/dbraw/zinc/88/37/66/772883766.db2.gz WMYMCRGPKITDRD-OLZOCXBDSA-N 1 1 294.355 1.948 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000129253347 772891076 /nfs/dbraw/zinc/89/10/76/772891076.db2.gz KZUALTDXNJUBAJ-NEPJUHHUSA-N 1 1 279.344 1.165 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000881984926 773252716 /nfs/dbraw/zinc/25/27/16/773252716.db2.gz FGUAAABLHBMZNF-SNVBAGLBSA-N 1 1 282.319 1.907 20 5 CDBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000819010428 773326187 /nfs/dbraw/zinc/32/61/87/773326187.db2.gz DBTPEOFZELYPBH-NHYWBVRUSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000819010428 773326195 /nfs/dbraw/zinc/32/61/95/773326195.db2.gz DBTPEOFZELYPBH-NHYWBVRUSA-N 1 1 293.367 1.701 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667264 773335861 /nfs/dbraw/zinc/33/58/61/773335861.db2.gz HEFCRHHCAOHTAP-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000300667264 773335870 /nfs/dbraw/zinc/33/58/70/773335870.db2.gz HEFCRHHCAOHTAP-WFASDCNBSA-N 1 1 295.383 1.948 20 5 CDBDMO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599702 773368417 /nfs/dbraw/zinc/36/84/17/773368417.db2.gz YVDQUXQNVZYUBA-VIFPVBQESA-N 1 1 275.312 1.761 20 5 CDBDMO CC(=O)OC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886083359 773375367 /nfs/dbraw/zinc/37/53/67/773375367.db2.gz ILUNDVZZMXNTBP-UHFFFAOYSA-N 1 1 279.296 1.517 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000776579259 773522348 /nfs/dbraw/zinc/52/23/48/773522348.db2.gz LGVQOERTMXKKCC-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000719068821 773540644 /nfs/dbraw/zinc/54/06/44/773540644.db2.gz VYJBKPMMAKMANM-LBPRGKRZSA-N 1 1 278.308 1.790 20 5 CDBDMO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839702619 773726571 /nfs/dbraw/zinc/72/65/71/773726571.db2.gz ZBCBYPDWVWESIY-ZIAGYGMSSA-N 1 1 297.399 1.526 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC(F)C2)C1 ZINC001173226026 912313708 /nfs/dbraw/zinc/31/37/08/912313708.db2.gz KTEKHYPWECLCNA-LLVKDONJSA-N 1 1 293.342 1.864 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](F)(CO)C1 ZINC001173230709 912326155 /nfs/dbraw/zinc/32/61/55/912326155.db2.gz ZSKFNPKNYSWBTH-SMDDNHRTSA-N 1 1 282.315 1.932 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173499389 912462919 /nfs/dbraw/zinc/46/29/19/912462919.db2.gz GSXLGMSEVKRFGA-NSHDSACASA-N 1 1 267.333 1.022 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226186382 905016669 /nfs/dbraw/zinc/01/66/69/905016669.db2.gz BUAHPEAMQDEYQH-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])nc1)C2 ZINC001226709374 905488154 /nfs/dbraw/zinc/48/81/54/905488154.db2.gz HSVIBFHIXDKYTH-PEGIJTEDSA-N 1 1 263.297 1.994 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2cnc([N+](=O)[O-])cn2)C1 ZINC001165289437 925012281 /nfs/dbraw/zinc/01/22/81/925012281.db2.gz BFTBHYWVTLZYOL-SNVBAGLBSA-N 1 1 265.317 1.529 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976328 927563985 /nfs/dbraw/zinc/56/39/85/927563985.db2.gz CUBVCLZXQSELHT-AXFHLTTASA-N 1 1 256.302 1.069 20 5 CDBDMO CC(C)c1nc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168964750 927587176 /nfs/dbraw/zinc/58/71/76/927587176.db2.gz VRFRHRAEASTGNK-UWVGGRQHSA-N 1 1 268.317 1.728 20 5 CDBDMO CCCN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968468 927592566 /nfs/dbraw/zinc/59/25/66/927592566.db2.gz ZIJFYYPPBOFSAW-GXTWGEPZSA-N 1 1 269.389 1.896 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOCC23CCC3)C1 ZINC001169033934 927640804 /nfs/dbraw/zinc/64/08/04/927640804.db2.gz DUHNDWNNMUHZBA-VXGBXAGGSA-N 1 1 254.330 1.687 20 5 CDBDMO CC[N@@H+](CCN1CCCC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033219 927641915 /nfs/dbraw/zinc/64/19/15/927641915.db2.gz BKLITNBGMOBDRG-ZIAGYGMSSA-N 1 1 269.389 1.850 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001169035904 927644500 /nfs/dbraw/zinc/64/45/00/927644500.db2.gz DVAARPRTYWMEME-WYUUTHIRSA-N 1 1 290.310 1.645 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038199 927648275 /nfs/dbraw/zinc/64/82/75/927648275.db2.gz WRNUJWFGQXMIKI-MNOVXSKESA-N 1 1 258.318 1.317 20 5 CDBDMO COC(=O)[C@H](C(C)C)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039974 927653417 /nfs/dbraw/zinc/65/34/17/927653417.db2.gz WNDWBEHPVZIBLT-SRVKXCTJSA-N 1 1 272.345 1.561 20 5 CDBDMO CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050607 927669385 /nfs/dbraw/zinc/66/93/85/927669385.db2.gz BYIVNGXZLGEHDF-AAVRWANBSA-N 1 1 295.383 1.375 20 5 CDBDMO CCN1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169054626 927671232 /nfs/dbraw/zinc/67/12/32/927671232.db2.gz NBEMLNIGHOHWOC-AAVRWANBSA-N 1 1 267.373 1.315 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156658179 928893456 /nfs/dbraw/zinc/89/34/56/928893456.db2.gz GUKZXDWLQRRHGV-LBPRGKRZSA-N 1 1 258.281 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817716 937389867 /nfs/dbraw/zinc/38/98/67/937389867.db2.gz ZANPXYUTTURSDE-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817716 937389870 /nfs/dbraw/zinc/38/98/70/937389870.db2.gz ZANPXYUTTURSDE-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO N[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001246592815 932016335 /nfs/dbraw/zinc/01/63/35/932016335.db2.gz WAUKDOUWNQQOGO-WISYIIOYSA-N 1 1 259.325 1.193 20 5 CDBDMO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001156591797 938390078 /nfs/dbraw/zinc/39/00/78/938390078.db2.gz ZEHZESZGWGELLI-SECBINFHSA-N 1 1 283.353 1.726 20 5 CDBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)C1 ZINC001156591797 938390080 /nfs/dbraw/zinc/39/00/80/938390080.db2.gz ZEHZESZGWGELLI-SECBINFHSA-N 1 1 283.353 1.726 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C(C)(C)C1 ZINC001158561745 938637446 /nfs/dbraw/zinc/63/74/46/938637446.db2.gz NOEQJTYPJLBIOA-UHFFFAOYSA-N 1 1 279.344 1.493 20 5 CDBDMO Nc1cc([N+](=O)[O-])cnc1NCc1[nH+]cn2ccccc12 ZINC001161686008 938920287 /nfs/dbraw/zinc/92/02/87/938920287.db2.gz QEEUHXIIRHWGCH-UHFFFAOYSA-N 1 1 284.279 1.832 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162688913 939118465 /nfs/dbraw/zinc/11/84/65/939118465.db2.gz WYCUQABBAVLVGW-GFCCVEGCSA-N 1 1 295.339 1.736 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162688913 939118468 /nfs/dbraw/zinc/11/84/68/939118468.db2.gz WYCUQABBAVLVGW-GFCCVEGCSA-N 1 1 295.339 1.736 20 5 CDBDMO Cc1[nH+]ccn1CCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001163917578 939350414 /nfs/dbraw/zinc/35/04/14/939350414.db2.gz ZBUSAWWIRSLJNN-UHFFFAOYSA-N 1 1 297.702 1.499 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@H]([NH3+])C2)n1 ZINC001164322506 939454968 /nfs/dbraw/zinc/45/49/68/939454968.db2.gz BNWRSYWHQJQATH-VIFPVBQESA-N 1 1 286.282 1.779 20 5 CDBDMO CC[NH+](CC)C[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225659937 941894738 /nfs/dbraw/zinc/89/47/38/941894738.db2.gz AKUCGNDDZYJPPA-VIFPVBQESA-N 1 1 269.301 1.805 20 5 CDBDMO CC[NH+](CC)C[C@H](C)Oc1nccc(O)c1[N+](=O)[O-] ZINC001225659937 941894741 /nfs/dbraw/zinc/89/47/41/941894741.db2.gz AKUCGNDDZYJPPA-VIFPVBQESA-N 1 1 269.301 1.805 20 5 CDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CC[N@H+](C)C1 ZINC001227541607 942186448 /nfs/dbraw/zinc/18/64/48/942186448.db2.gz JOCBXIVOYIPMGI-SSDOTTSWSA-N 1 1 286.309 1.526 20 5 CDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001227541607 942186453 /nfs/dbraw/zinc/18/64/53/942186453.db2.gz JOCBXIVOYIPMGI-SSDOTTSWSA-N 1 1 286.309 1.526 20 5 CDBDMO COC(=O)c1cccc(O[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001227894239 942241117 /nfs/dbraw/zinc/24/11/17/942241117.db2.gz LQJOEPNKHIMKDL-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO COC(=O)c1cccc(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001227894205 942241163 /nfs/dbraw/zinc/24/11/63/942241163.db2.gz LAQSOHIYSDGGNG-SECBINFHSA-N 1 1 280.280 1.464 20 5 CDBDMO CC[NH+](CC)C[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375768 942460551 /nfs/dbraw/zinc/46/05/51/942460551.db2.gz LKQUVPPOZQEHDY-MRVPVSSYSA-N 1 1 284.316 1.508 20 5 CDBDMO Cc1nc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382332 942461422 /nfs/dbraw/zinc/46/14/22/942461422.db2.gz RWNZISPCTQTKDW-JTQLQIEISA-N 1 1 296.327 1.650 20 5 CDBDMO Cc1nc(O[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382332 942461424 /nfs/dbraw/zinc/46/14/24/942461424.db2.gz RWNZISPCTQTKDW-JTQLQIEISA-N 1 1 296.327 1.650 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001231263838 942839651 /nfs/dbraw/zinc/83/96/51/942839651.db2.gz MUYNUDFPJOHPNS-SECBINFHSA-O 1 1 270.309 1.477 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(OCC[N@@H+]2CC[C@@H](OC)C2)n1 ZINC001234880739 943965912 /nfs/dbraw/zinc/96/59/12/943965912.db2.gz GQPHMLCIYXEWCU-SNVBAGLBSA-N 1 1 297.311 1.098 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc(C[NH3+])n1 ZINC001254539872 947518562 /nfs/dbraw/zinc/51/85/62/947518562.db2.gz KZFDWFSSYFGOSO-VIFPVBQESA-N 1 1 261.285 1.449 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1CO ZINC001254552323 947522341 /nfs/dbraw/zinc/52/23/41/947522341.db2.gz KWNQTACBNSWNPH-WCQYABFASA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)N(C)CC1 ZINC001254561653 947524591 /nfs/dbraw/zinc/52/45/91/947524591.db2.gz HSTRQYLQPBPAOT-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO CN1CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572071 947530701 /nfs/dbraw/zinc/53/07/01/947530701.db2.gz HVLUIBPWJQJZNV-SMDDNHRTSA-N 1 1 275.352 1.603 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593342 947541820 /nfs/dbraw/zinc/54/18/20/947541820.db2.gz LADIXGRLDYISBX-YGRLFVJLSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@@H]1COCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593342 947541825 /nfs/dbraw/zinc/54/18/25/947541825.db2.gz LADIXGRLDYISBX-YGRLFVJLSA-N 1 1 262.309 1.783 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](O)[C@@H](F)CC1)C2 ZINC001254595469 947544869 /nfs/dbraw/zinc/54/48/69/947544869.db2.gz XONCJCBSCRLYHD-ILXRZTDVSA-N 1 1 294.326 1.857 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](F)[C@H](O)C1)C2 ZINC001254597933 947547917 /nfs/dbraw/zinc/54/79/17/947547917.db2.gz JMLMZPFUKTUSML-HZSPNIEDSA-N 1 1 280.299 1.467 20 5 CDBDMO N[C@]12C[C@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865912 948492012 /nfs/dbraw/zinc/49/20/12/948492012.db2.gz DESZRUCZPSPAIJ-YUTCNCBUSA-N 1 1 259.309 1.095 20 5 CDBDMO N[C@]12C[C@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246865912 948492015 /nfs/dbraw/zinc/49/20/15/948492015.db2.gz DESZRUCZPSPAIJ-YUTCNCBUSA-N 1 1 259.309 1.095 20 5 CDBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001336710153 960491416 /nfs/dbraw/zinc/49/14/16/960491416.db2.gz DCJZVXCJDKCORZ-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC001336710153 960491428 /nfs/dbraw/zinc/49/14/28/960491428.db2.gz DCJZVXCJDKCORZ-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC001336710153 960491438 /nfs/dbraw/zinc/49/14/38/960491438.db2.gz DCJZVXCJDKCORZ-YGRLFVJLSA-N 1 1 293.371 1.223 20 5 CDBDMO CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471070 968286100 /nfs/dbraw/zinc/28/61/00/968286100.db2.gz CUWJGIJOSVDGEA-ZIAGYGMSSA-N 1 1 297.399 1.813 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001355283305 969108982 /nfs/dbraw/zinc/10/89/82/969108982.db2.gz INVFYQFIAFMBBP-CYBMUJFWSA-N 1 1 279.344 1.250 20 5 CDBDMO CO[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000601171352 342485871 /nfs/dbraw/zinc/48/58/71/342485871.db2.gz JPZAZYFIOMCZRP-ZIAGYGMSSA-N 1 1 289.291 1.339 20 5 CDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000601136439 342476556 /nfs/dbraw/zinc/47/65/56/342476556.db2.gz DHTSRNJKZVYFBL-OTYXRUKQSA-N 1 1 273.292 1.960 20 5 CDBDMO C[C@@H](C[S@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601140945 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/nfs/dbraw/zinc/08/75/43/159087543.db2.gz SODYEMYJFSKNDD-CHWSQXEVSA-N 1 1 296.371 1.928 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618957 159334010 /nfs/dbraw/zinc/33/40/10/159334010.db2.gz GBIKYIODKKXGMD-QWHCGFSZSA-N 1 1 289.335 1.951 20 5 CDBDMO CC[C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285273021 196238145 /nfs/dbraw/zinc/23/81/45/196238145.db2.gz ITMKGPLOAAXILY-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO CC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285273021 196238146 /nfs/dbraw/zinc/23/81/46/196238146.db2.gz ITMKGPLOAAXILY-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000044537971 175199460 /nfs/dbraw/zinc/19/94/60/175199460.db2.gz FGKMCLUOHLSOPS-SECBINFHSA-N 1 1 253.306 1.082 20 5 CDBDMO Cc1c(CNC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000045107539 175308100 /nfs/dbraw/zinc/30/81/00/175308100.db2.gz MTTNHEJNVPCPGB-JTQLQIEISA-N 1 1 251.330 1.943 20 5 CDBDMO CN(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509886 276784897 /nfs/dbraw/zinc/78/48/97/276784897.db2.gz GTWXIDMZOAMMGU-CHWSQXEVSA-N 1 1 295.387 1.816 20 5 CDBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000108337579 279305818 /nfs/dbraw/zinc/30/58/18/279305818.db2.gz BAWVDXMTQAQLBF-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195309500 280078374 /nfs/dbraw/zinc/07/83/74/280078374.db2.gz IIMOIIMEGMZAJW-UHFFFAOYSA-N 1 1 279.340 1.893 20 5 CDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000226775150 280102172 /nfs/dbraw/zinc/10/21/72/280102172.db2.gz QGPLRCWKRCOMGW-JGVFFNPUSA-N 1 1 256.331 1.946 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248881726 280390623 /nfs/dbraw/zinc/39/06/23/280390623.db2.gz DGPJPATXKGYXKS-GHMZBOCLSA-N 1 1 268.313 1.158 20 5 CDBDMO Cc1cccc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302514442 281228111 /nfs/dbraw/zinc/22/81/11/281228111.db2.gz UUGGOPOBIXYZHW-OLZOCXBDSA-N 1 1 293.367 1.795 20 5 CDBDMO Cn1c[nH+]cc1CCNc1ncc([N+](=O)[O-])cc1F ZINC000556852106 290310309 /nfs/dbraw/zinc/31/03/09/290310309.db2.gz JLOXHTWVGRABEP-UHFFFAOYSA-N 1 1 265.248 1.517 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000570653236 294281835 /nfs/dbraw/zinc/28/18/35/294281835.db2.gz XRSQKRFJLJKBQU-GFCCVEGCSA-N 1 1 298.339 1.167 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000048346796 295179366 /nfs/dbraw/zinc/17/93/66/295179366.db2.gz ZJNYISRFUHZFTO-GFCCVEGCSA-N 1 1 293.323 1.041 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000579021865 324086018 /nfs/dbraw/zinc/08/60/18/324086018.db2.gz IVORNVCJTAWZQA-OAHLLOKOSA-N 1 1 295.383 1.382 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000579663957 324244213 /nfs/dbraw/zinc/24/42/13/324244213.db2.gz KARMLIAXETVIBP-ZDUSSCGKSA-N 1 1 262.313 1.522 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000583486596 325184681 /nfs/dbraw/zinc/18/46/81/325184681.db2.gz OLXZBUZRYMTHHC-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000054132601 519623552 /nfs/dbraw/zinc/62/35/52/519623552.db2.gz TZABDNJLDXJUGN-UHFFFAOYSA-N 1 1 280.328 1.247 20 5 CDBDMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052922526 521667554 /nfs/dbraw/zinc/66/75/54/521667554.db2.gz VTJFQHFPACAIFO-UHFFFAOYSA-N 1 1 296.323 1.666 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364798910 527414613 /nfs/dbraw/zinc/41/46/13/527414613.db2.gz LYHXBCPOTQHLET-AWEZNQCLSA-N 1 1 294.355 1.682 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264607497 536879337 /nfs/dbraw/zinc/87/93/37/536879337.db2.gz OSTGEDFTYKFMIV-NSHDSACASA-N 1 1 283.303 1.867 20 5 CDBDMO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761069293 574931721 /nfs/dbraw/zinc/93/17/21/574931721.db2.gz JSLLPGLQWPLXAN-LBPRGKRZSA-N 1 1 279.340 1.610 20 5 CDBDMO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000768774545 576307587 /nfs/dbraw/zinc/30/75/87/576307587.db2.gz VESSYSFSXLBABD-TYNCELHUSA-N 1 1 293.367 1.653 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952863 576969649 /nfs/dbraw/zinc/96/96/49/576969649.db2.gz WUMXEMBPHCAJSA-SNVBAGLBSA-N 1 1 291.311 1.326 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749952863 576969650 /nfs/dbraw/zinc/96/96/50/576969650.db2.gz WUMXEMBPHCAJSA-SNVBAGLBSA-N 1 1 291.311 1.326 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000892674799 617581643 /nfs/dbraw/zinc/58/16/43/617581643.db2.gz YQHOJXMRRHGCJI-UWVGGRQHSA-N 1 1 280.328 1.893 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000893937855 618198183 /nfs/dbraw/zinc/19/81/83/618198183.db2.gz AYNCUYBVEDYLPM-ZANVPECISA-N 1 1 287.323 1.611 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1Cl ZINC000841101288 618682958 /nfs/dbraw/zinc/68/29/58/618682958.db2.gz RLPNFHWEGAXNLP-JTQLQIEISA-N 1 1 285.731 1.326 20 5 CDBDMO CC1=NO[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000895310792 619540541 /nfs/dbraw/zinc/54/05/41/619540541.db2.gz JGNRYYSEQJHVCD-VIFPVBQESA-N 1 1 255.299 1.911 20 5 CDBDMO COc1cccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)c1 ZINC000899861169 622487430 /nfs/dbraw/zinc/48/74/30/622487430.db2.gz WRGKOSDQAIXGHU-ZDUSSCGKSA-N 1 1 267.329 1.164 20 5 CDBDMO COCC[N@@H+](C)Cc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398711 624220577 /nfs/dbraw/zinc/22/05/77/624220577.db2.gz HAJJRZGFOMQMMT-UHFFFAOYSA-N 1 1 281.268 1.921 20 5 CDBDMO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158424470 1162981645 /nfs/dbraw/zinc/98/16/45/1162981645.db2.gz VPAREGHCKIRYFO-QMMMGPOBSA-N 1 1 268.704 1.538 20 5 CDBDMO Nc1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000312471155 1186698957 /nfs/dbraw/zinc/69/89/57/1186698957.db2.gz GTVBQISCARTNEW-GHMZBOCLSA-N 1 1 277.328 1.611 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164629418 719153253 /nfs/dbraw/zinc/15/32/53/719153253.db2.gz ASMNMVPDCMYWHE-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CNC(=O)C1 ZINC000851821417 773758064 /nfs/dbraw/zinc/75/80/64/773758064.db2.gz VPQSNDCKPQADCS-VIFPVBQESA-N 1 1 297.742 1.816 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278164 774034188 /nfs/dbraw/zinc/03/41/88/774034188.db2.gz TVDWPPAZNQMKDG-XUJVJEKNSA-N 1 1 294.351 1.579 20 5 CDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086156 774111687 /nfs/dbraw/zinc/11/16/87/774111687.db2.gz HPBWJAOTPRQGEX-LBPRGKRZSA-N 1 1 292.339 1.290 20 5 CDBDMO COCC[N@H+](CCOc1ccc(F)cc1)CC[N+](=O)[O-] ZINC000929609501 774319255 /nfs/dbraw/zinc/31/92/55/774319255.db2.gz JUPBPMZWALSDBS-UHFFFAOYSA-N 1 1 286.303 1.430 20 5 CDBDMO COCC[N@@H+](CCOc1ccc(F)cc1)CC[N+](=O)[O-] ZINC000929609501 774319261 /nfs/dbraw/zinc/31/92/61/774319261.db2.gz JUPBPMZWALSDBS-UHFFFAOYSA-N 1 1 286.303 1.430 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccon2)cc1 ZINC000134758699 774814636 /nfs/dbraw/zinc/81/46/36/774814636.db2.gz HCEFYXQBYAJLHH-LBPRGKRZSA-N 1 1 263.253 1.406 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000804460950 774834311 /nfs/dbraw/zinc/83/43/11/774834311.db2.gz BVAXNQRIGBPVNI-LLVKDONJSA-N 1 1 278.356 1.955 20 5 CDBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928570559 774873892 /nfs/dbraw/zinc/87/38/92/774873892.db2.gz WIBRZFFEYHTELG-JTQLQIEISA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928570559 774873894 /nfs/dbraw/zinc/87/38/94/774873894.db2.gz WIBRZFFEYHTELG-JTQLQIEISA-N 1 1 295.364 1.751 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000831533496 774880594 /nfs/dbraw/zinc/88/05/94/774880594.db2.gz IGRASKYJXWYSIA-NILFDRSVSA-N 1 1 294.351 1.985 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130960000 775244231 /nfs/dbraw/zinc/24/42/31/775244231.db2.gz GMYRYVGQCFDBQL-VIFPVBQESA-N 1 1 256.331 1.576 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130960000 775244252 /nfs/dbraw/zinc/24/42/52/775244252.db2.gz GMYRYVGQCFDBQL-VIFPVBQESA-N 1 1 256.331 1.576 20 5 CDBDMO COC(=O)C[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000851928677 775330485 /nfs/dbraw/zinc/33/04/85/775330485.db2.gz VXCPWAFJDIJNRG-VIFPVBQESA-N 1 1 283.284 1.323 20 5 CDBDMO CSC[C@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130960228 775504923 /nfs/dbraw/zinc/50/49/23/775504923.db2.gz GMYRYVGQCFDBQL-SECBINFHSA-N 1 1 256.331 1.576 20 5 CDBDMO CSC[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000130960228 775504933 /nfs/dbraw/zinc/50/49/33/775504933.db2.gz GMYRYVGQCFDBQL-SECBINFHSA-N 1 1 256.331 1.576 20 5 CDBDMO CC[NH2+]Cc1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000843141587 775633534 /nfs/dbraw/zinc/63/35/34/775633534.db2.gz QIRJMYWHMSTGOL-UHFFFAOYSA-N 1 1 278.268 1.763 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000882479328 775862572 /nfs/dbraw/zinc/86/25/72/775862572.db2.gz STYMTLLVEQWZCB-LBPRGKRZSA-N 1 1 263.297 1.419 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000930764254 775951542 /nfs/dbraw/zinc/95/15/42/775951542.db2.gz DPWJZRIUNTUAHI-LBPRGKRZSA-N 1 1 254.330 1.544 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000312566701 776046079 /nfs/dbraw/zinc/04/60/79/776046079.db2.gz LAGIGGWHFSYDDM-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO O=C1NCC2(CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)O1 ZINC000886159967 776374291 /nfs/dbraw/zinc/37/42/91/776374291.db2.gz GUIMMWVZIJSKAS-UHFFFAOYSA-N 1 1 292.295 1.064 20 5 CDBDMO CC(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001000345716 776660712 /nfs/dbraw/zinc/66/07/12/776660712.db2.gz MVHMDNVKBNGLIK-UHFFFAOYSA-N 1 1 289.335 1.863 20 5 CDBDMO CCC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000122728052 776913111 /nfs/dbraw/zinc/91/31/11/776913111.db2.gz LBHMQBJKKQYQLB-UHFFFAOYSA-N 1 1 265.269 1.802 20 5 CDBDMO CCC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000122728052 776913122 /nfs/dbraw/zinc/91/31/22/776913122.db2.gz LBHMQBJKKQYQLB-UHFFFAOYSA-N 1 1 265.269 1.802 20 5 CDBDMO Cc1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861384930 777334401 /nfs/dbraw/zinc/33/44/01/777334401.db2.gz ICRZDMZVRSARNK-UHFFFAOYSA-N 1 1 264.281 1.766 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000929830413 777356688 /nfs/dbraw/zinc/35/66/88/777356688.db2.gz FHNCAFHCJQTEOK-QWRGUYRKSA-N 1 1 254.286 1.444 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000929830413 777356696 /nfs/dbraw/zinc/35/66/96/777356696.db2.gz FHNCAFHCJQTEOK-QWRGUYRKSA-N 1 1 254.286 1.444 20 5 CDBDMO CN(C)C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930210082 777505652 /nfs/dbraw/zinc/50/56/52/777505652.db2.gz QJEDGUUHGJHGQA-LBPRGKRZSA-N 1 1 265.313 1.072 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@]2(C)C1 ZINC000887939044 777806008 /nfs/dbraw/zinc/80/60/08/777806008.db2.gz LUEHHHFDRQEENV-RNCFNFMXSA-N 1 1 279.296 1.212 20 5 CDBDMO Cc1nn(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000793744454 777870794 /nfs/dbraw/zinc/87/07/94/777870794.db2.gz LTJHWQZKHRWCGC-AWEZNQCLSA-N 1 1 293.371 1.393 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844451298 777999039 /nfs/dbraw/zinc/99/90/39/777999039.db2.gz SHKFKROQZNNEAF-MFKMUULPSA-N 1 1 268.313 1.331 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097975 778088503 /nfs/dbraw/zinc/08/85/03/778088503.db2.gz HNDWTHCZYZMFNS-NWDGAFQWSA-N 1 1 278.356 1.904 20 5 CDBDMO COc1cc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000712559468 778114989 /nfs/dbraw/zinc/11/49/89/778114989.db2.gz VCSPFNSNPAPHJT-VIFPVBQESA-N 1 1 281.312 1.728 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930147304 778322457 /nfs/dbraw/zinc/32/24/57/778322457.db2.gz BWPGIHLTNWYEDD-ZIAGYGMSSA-N 1 1 277.368 1.858 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000933249360 778342301 /nfs/dbraw/zinc/34/23/01/778342301.db2.gz GFMWFFSOIYZWGV-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933249360 778342308 /nfs/dbraw/zinc/34/23/08/778342308.db2.gz GFMWFFSOIYZWGV-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000933249360 778342312 /nfs/dbraw/zinc/34/23/12/778342312.db2.gz GFMWFFSOIYZWGV-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO Cc1noc(C)c1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000877956463 778377108 /nfs/dbraw/zinc/37/71/08/778377108.db2.gz PDBCPYNYUMGKLN-UHFFFAOYSA-N 1 1 293.327 1.837 20 5 CDBDMO Cc1noc(C)c1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000877956463 778377117 /nfs/dbraw/zinc/37/71/17/778377117.db2.gz PDBCPYNYUMGKLN-UHFFFAOYSA-N 1 1 293.327 1.837 20 5 CDBDMO Cn1cc([C@H]2C[N@@H+](CC[N+](=O)[O-])CC2(C)C)cn1 ZINC000930589902 778838606 /nfs/dbraw/zinc/83/86/06/778838606.db2.gz VPHNWPODQSZHSH-LLVKDONJSA-N 1 1 252.318 1.122 20 5 CDBDMO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034815944 779227825 /nfs/dbraw/zinc/22/78/25/779227825.db2.gz GYPKMQNYTXHMDV-CHWSQXEVSA-N 1 1 277.324 1.078 20 5 CDBDMO C[C@H]([NH2+]C1CC1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233032 779236670 /nfs/dbraw/zinc/23/66/70/779236670.db2.gz HAVKKNKTRNXYJA-QMMMGPOBSA-N 1 1 268.317 1.871 20 5 CDBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000848034814 779638384 /nfs/dbraw/zinc/63/83/84/779638384.db2.gz CDPYBIICYAXRPH-UHFFFAOYSA-N 1 1 271.361 1.375 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1C[C@@H](O)C1 ZINC000703696920 779826991 /nfs/dbraw/zinc/82/69/91/779826991.db2.gz PIZBVPYIOURLND-PHIMTYICSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792464 779886080 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O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC001169027875 927632710 /nfs/dbraw/zinc/63/27/10/927632710.db2.gz RKBMBKTZWCEEKM-ILXRZTDVSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001169027875 927632717 /nfs/dbraw/zinc/63/27/17/927632717.db2.gz RKBMBKTZWCEEKM-ILXRZTDVSA-N 1 1 281.400 1.992 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034238 927640675 /nfs/dbraw/zinc/64/06/75/927640675.db2.gz GHFDXUOJYCXTLA-YRGRVCCFSA-N 1 1 284.356 1.707 20 5 CDBDMO CC(C)(C)N1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033621 927641675 /nfs/dbraw/zinc/64/16/75/927641675.db2.gz COEKCIZHRHMYAD-VXGBXAGGSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(C)(C)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033621 927641685 /nfs/dbraw/zinc/64/16/85/927641685.db2.gz COEKCIZHRHMYAD-VXGBXAGGSA-N 1 1 283.372 1.375 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169035499 927644132 /nfs/dbraw/zinc/64/41/32/927644132.db2.gz BOEFXKKMPCCNDV-CMPLNLGQSA-N 1 1 264.329 1.224 20 5 CDBDMO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169035838 927645105 /nfs/dbraw/zinc/64/51/05/927645105.db2.gz DAKIPXPBZNLSLP-UJPOAAIJSA-N 1 1 254.330 1.399 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037051 927646813 /nfs/dbraw/zinc/64/68/13/927646813.db2.gz IDQHMOIOSRAXHB-TUAOUCFPSA-N 1 1 289.326 1.457 20 5 CDBDMO CN1CC[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038618 927650105 /nfs/dbraw/zinc/65/01/05/927650105.db2.gz JJCYJMOHTPZEIR-WUHRBBMRSA-N 1 1 253.346 1.068 20 5 CDBDMO CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039016 927650437 /nfs/dbraw/zinc/65/04/37/927650437.db2.gz MJYKBFDKVQOIHH-CYDGBPFRSA-N 1 1 254.330 1.685 20 5 CDBDMO C[N@H+](C1CC1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039922 927653216 /nfs/dbraw/zinc/65/32/16/927653216.db2.gz VVMHGVXYAOJIML-DOMZBBRYSA-N 1 1 281.400 1.990 20 5 CDBDMO C[N@@H+](C1CC1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039922 927653223 /nfs/dbraw/zinc/65/32/23/927653223.db2.gz VVMHGVXYAOJIML-DOMZBBRYSA-N 1 1 281.400 1.990 20 5 CDBDMO CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047021 927666790 /nfs/dbraw/zinc/66/67/90/927666790.db2.gz PTUBYXZWCLNROI-ILXRZTDVSA-N 1 1 297.399 1.763 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NCCC[NH+]1CCOCC1 ZINC000881735191 929893438 /nfs/dbraw/zinc/89/34/38/929893438.db2.gz DGAAOQZFYDRKJD-UHFFFAOYSA-N 1 1 284.291 1.263 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CCO)c1F ZINC001246912303 932423463 /nfs/dbraw/zinc/42/34/63/932423463.db2.gz KJJRCYIMCSGFSY-VIFPVBQESA-N 1 1 286.303 1.598 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001157263353 938470729 /nfs/dbraw/zinc/47/07/29/938470729.db2.gz AOGXRSFPPHCAPB-BXKDBHETSA-N 1 1 277.328 1.102 20 5 CDBDMO 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CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702694 943643534 /nfs/dbraw/zinc/64/35/34/943643534.db2.gz PCWQGQAZZJJQLJ-JTQLQIEISA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@@]1(O)COCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592072 947541962 /nfs/dbraw/zinc/54/19/62/947541962.db2.gz AERVCTRNOBYLDK-CABCVRRESA-N 1 1 292.335 1.145 20 5 CDBDMO C[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603640 947552403 /nfs/dbraw/zinc/55/24/03/947552403.db2.gz PFULQCIRBRNEEG-LZWOXQAQSA-N 1 1 287.363 1.555 20 5 CDBDMO C[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603640 947552412 /nfs/dbraw/zinc/55/24/12/947552412.db2.gz PFULQCIRBRNEEG-LZWOXQAQSA-N 1 1 287.363 1.555 20 5 CDBDMO CN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603640 947552420 /nfs/dbraw/zinc/55/24/20/947552420.db2.gz PFULQCIRBRNEEG-LZWOXQAQSA-N 1 1 287.363 1.555 20 5 CDBDMO CN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603640 947552427 /nfs/dbraw/zinc/55/24/27/947552427.db2.gz PFULQCIRBRNEEG-LZWOXQAQSA-N 1 1 287.363 1.555 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)NC1 ZINC001246106491 947957362 /nfs/dbraw/zinc/95/73/62/947957362.db2.gz QCYJPAKSNRCRQV-MROQNXINSA-N 1 1 255.362 1.410 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC001324418601 953382873 /nfs/dbraw/zinc/38/28/73/953382873.db2.gz YGPXWDHCNLDYBD-SECBINFHSA-N 1 1 265.317 1.224 20 5 CDBDMO CC(C)C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)Nc1nccs1 ZINC001335413029 959783768 /nfs/dbraw/zinc/78/37/68/959783768.db2.gz LFYINSJGPGRZCK-VIFPVBQESA-N 1 1 286.357 1.363 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC001337266814 961069561 /nfs/dbraw/zinc/06/95/61/961069561.db2.gz GEKXHOUGOWEJBW-UWVGGRQHSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCN1C ZINC001337266814 961069578 /nfs/dbraw/zinc/06/95/78/961069578.db2.gz GEKXHOUGOWEJBW-UWVGGRQHSA-N 1 1 284.385 1.703 20 5 CDBDMO Nc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001337732699 961393788 /nfs/dbraw/zinc/39/37/88/961393788.db2.gz DPDDJCTWHGKAMP-UWVGGRQHSA-N 1 1 277.328 1.611 20 5 CDBDMO COc1cccc2c1OCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC001346152114 964957891 /nfs/dbraw/zinc/95/78/91/964957891.db2.gz YWDYPAQJTFHVNB-JTQLQIEISA-N 1 1 252.270 1.385 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(Br)c1 ZINC001346376961 965072390 /nfs/dbraw/zinc/07/23/90/965072390.db2.gz KKOHSTJHZWXSBX-UHFFFAOYSA-N 1 1 260.091 1.210 20 5 CDBDMO COC[C@H](O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601135615 342476226 /nfs/dbraw/zinc/47/62/26/342476226.db2.gz HXLAXDXPFKBSRN-LLVKDONJSA-N 1 1 291.307 1.374 20 5 CDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000600177736 341983445 /nfs/dbraw/zinc/98/34/45/341983445.db2.gz COQZBWISMPDLFV-ZDTYVGOBSA-N 1 1 292.335 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\CO)c(Cl)c1 ZINC000594972999 342992419 /nfs/dbraw/zinc/99/24/19/342992419.db2.gz AXRYBUNVZITHOV-UPHRSURJSA-N 1 1 256.689 1.886 20 5 CDBDMO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032708 342997536 /nfs/dbraw/zinc/99/75/36/342997536.db2.gz LKFJAMDIOXSHHM-JTQLQIEISA-N 1 1 295.339 1.732 20 5 CDBDMO COCC[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291623 343025006 /nfs/dbraw/zinc/02/50/06/343025006.db2.gz PTMVZTKGZSPBOM-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595389174 343053430 /nfs/dbraw/zinc/05/34/30/343053430.db2.gz MGBONODJYBBJBG-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595389174 343053431 /nfs/dbraw/zinc/05/34/31/343053431.db2.gz MGBONODJYBBJBG-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000595504441 343079538 /nfs/dbraw/zinc/07/95/38/343079538.db2.gz JHFSXPZRYBBEKJ-CQSZACIVSA-N 1 1 294.355 1.809 20 5 CDBDMO Cc1noc(C[NH+]2CCC([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000595557037 343096809 /nfs/dbraw/zinc/09/68/09/343096809.db2.gz DCRSPVIKIHHRLT-SECBINFHSA-N 1 1 283.328 1.732 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595567011 343100322 /nfs/dbraw/zinc/10/03/22/343100322.db2.gz QTLRTNRVKFVJLO-JQWIXIFHSA-N 1 1 250.302 1.666 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744317 343150321 /nfs/dbraw/zinc/15/03/21/343150321.db2.gz VTZTVUGCJBMUKO-TZMCWYRMSA-N 1 1 289.335 1.695 20 5 CDBDMO Cc1noc(CO[C@@H](C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000596021602 343215452 /nfs/dbraw/zinc/21/54/52/343215452.db2.gz HHZHZFQOMVTGCT-ZETCQYMHSA-N 1 1 266.257 1.762 20 5 CDBDMO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000596157371 343254800 /nfs/dbraw/zinc/25/48/00/343254800.db2.gz YRJZISOZHRMALQ-IUCAKERBSA-N 1 1 278.312 1.733 20 5 CDBDMO C[N@@H+](CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596261401 343278342 /nfs/dbraw/zinc/27/83/42/343278342.db2.gz SAIZLMOIBYKJDG-UHFFFAOYSA-N 1 1 280.328 1.982 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000597204691 343473137 /nfs/dbraw/zinc/47/31/37/343473137.db2.gz DEZYUHXLTICXQN-YVZNUBBCSA-N 1 1 292.335 1.955 20 5 CDBDMO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597700621 343603417 /nfs/dbraw/zinc/60/34/17/343603417.db2.gz OSVRYWDUZDIEGK-TVQRCGJNSA-N 1 1 293.323 1.465 20 5 CDBDMO C[NH+]1CCN(CC2CN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000599106625 343955480 /nfs/dbraw/zinc/95/54/80/343955480.db2.gz IYWIUNKFQZHCDH-UHFFFAOYSA-N 1 1 290.367 1.278 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000602852662 344628500 /nfs/dbraw/zinc/62/85/00/344628500.db2.gz FSDZVUVOXNFMGN-GFCCVEGCSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1nn(C[C@@H]2CC[N@H+](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603327713 344776483 /nfs/dbraw/zinc/77/64/83/344776483.db2.gz PXHSSWGFLPFZSG-SNVBAGLBSA-N 1 1 275.312 1.600 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)COC ZINC000603436510 344808736 /nfs/dbraw/zinc/80/87/36/344808736.db2.gz ZJOSSFLKSPLDRP-LLVKDONJSA-N 1 1 284.312 1.090 20 5 CDBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057714487 347086765 /nfs/dbraw/zinc/08/67/65/347086765.db2.gz MNESGRMUZQKNOS-SNVBAGLBSA-N 1 1 277.324 1.807 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000610244731 346228500 /nfs/dbraw/zinc/22/85/00/346228500.db2.gz KYVFXEUFMLMEEU-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(C)(CO)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611412133 346780113 /nfs/dbraw/zinc/78/01/13/346780113.db2.gz UDNIOKFZHHEZSI-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H]1CO ZINC000613743156 347884903 /nfs/dbraw/zinc/88/49/03/347884903.db2.gz QLEGOOHJJNRGFA-GARJFASQSA-N 1 1 266.297 1.083 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886302 348712274 /nfs/dbraw/zinc/71/22/74/348712274.db2.gz PEGYRNBKCKCYEQ-LLVKDONJSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059403041 348879621 /nfs/dbraw/zinc/87/96/21/348879621.db2.gz LQJUTSUKPLPNGE-LLVKDONJSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059403041 348879622 /nfs/dbraw/zinc/87/96/22/348879622.db2.gz LQJUTSUKPLPNGE-LLVKDONJSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059403042 348880082 /nfs/dbraw/zinc/88/00/82/348880082.db2.gz LQJUTSUKPLPNGE-NSHDSACASA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059403042 348880086 /nfs/dbraw/zinc/88/00/86/348880086.db2.gz LQJUTSUKPLPNGE-NSHDSACASA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000068064602 349047030 /nfs/dbraw/zinc/04/70/30/349047030.db2.gz AETLZGXVFBZEEG-QMMMGPOBSA-N 1 1 291.311 1.151 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000291003913 197885527 /nfs/dbraw/zinc/88/55/27/197885527.db2.gz ZAYHBBZBVKOINZ-SECBINFHSA-N 1 1 268.317 1.381 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107856121 186195104 /nfs/dbraw/zinc/19/51/04/186195104.db2.gz AGNZGECUDYWLPE-BETUJISGSA-N 1 1 261.325 1.289 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286369745 356269644 /nfs/dbraw/zinc/26/96/44/356269644.db2.gz GFNCPMJSQDNPHO-MGPQQGTHSA-N 1 1 280.324 1.473 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)C[N@H+]1C1CC1 ZINC000267895297 363560059 /nfs/dbraw/zinc/56/00/59/363560059.db2.gz UBSKSFKWZMUUAR-RKDXNWHRSA-N 1 1 265.317 1.365 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291681 357219508 /nfs/dbraw/zinc/21/95/08/357219508.db2.gz SZRMGEFZGKXSDF-PELKAZGASA-N 1 1 284.287 1.555 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291681 357219512 /nfs/dbraw/zinc/21/95/12/357219512.db2.gz SZRMGEFZGKXSDF-PELKAZGASA-N 1 1 284.287 1.555 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC000408067906 357801795 /nfs/dbraw/zinc/80/17/95/357801795.db2.gz PYFRJFVBVJQYEB-ZJUUUORDSA-N 1 1 250.302 1.519 20 5 CDBDMO C[C@H](O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257868 358094923 /nfs/dbraw/zinc/09/49/23/358094923.db2.gz IQXSMZPGQNCKPB-VIFPVBQESA-N 1 1 278.312 1.674 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361257868 358094925 /nfs/dbraw/zinc/09/49/25/358094925.db2.gz IQXSMZPGQNCKPB-VIFPVBQESA-N 1 1 278.312 1.674 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361652603 358403240 /nfs/dbraw/zinc/40/32/40/358403240.db2.gz GHGSDRTVJKMFGX-CMPLNLGQSA-N 1 1 280.324 1.664 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)O ZINC000177726635 366456425 /nfs/dbraw/zinc/45/64/25/366456425.db2.gz ABWVPRDLZCHSSA-JTQLQIEISA-N 1 1 295.339 1.625 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnn(C)c1 ZINC000176224184 358742760 /nfs/dbraw/zinc/74/27/60/358742760.db2.gz SQYYARSNUZFYMT-UHFFFAOYSA-N 1 1 278.316 1.047 20 5 CDBDMO COC(=O)C1([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159201536 358817350 /nfs/dbraw/zinc/81/73/50/358817350.db2.gz UVQUWYGMFOGPGB-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO COC(=O)C1([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159201536 358817357 /nfs/dbraw/zinc/81/73/57/358817357.db2.gz UVQUWYGMFOGPGB-UHFFFAOYSA-N 1 1 296.327 1.209 20 5 CDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000265023518 358980689 /nfs/dbraw/zinc/98/06/89/358980689.db2.gz WJUHOBDPJFPRGO-UHFFFAOYSA-N 1 1 289.335 1.905 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000120047717 359072222 /nfs/dbraw/zinc/07/22/22/359072222.db2.gz GOWZWJIKVCTHEG-SNVBAGLBSA-N 1 1 295.364 1.971 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000120047717 359072226 /nfs/dbraw/zinc/07/22/26/359072226.db2.gz GOWZWJIKVCTHEG-SNVBAGLBSA-N 1 1 295.364 1.971 20 5 CDBDMO COc1ccc(C[N@@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000353027124 359072584 /nfs/dbraw/zinc/07/25/84/359072584.db2.gz MAPGVFADOUYEQM-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287735072 359115109 /nfs/dbraw/zinc/11/51/09/359115109.db2.gz GIXWAVOGZCWCNA-QMMMGPOBSA-N 1 1 293.352 1.963 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152393 /nfs/dbraw/zinc/15/23/93/359152393.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 1 1 295.387 1.596 20 5 CDBDMO CCN1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152418 /nfs/dbraw/zinc/15/24/18/359152418.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 1 1 295.387 1.596 20 5 CDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000357957562 359152421 /nfs/dbraw/zinc/15/24/21/359152421.db2.gz ISPDZAUAALZIMK-QWHCGFSZSA-N 1 1 295.387 1.596 20 5 CDBDMO CN(CC[N@H+](C)C1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339097829 359288627 /nfs/dbraw/zinc/28/86/27/359288627.db2.gz WLRAFZNCFHWCBL-UHFFFAOYSA-N 1 1 279.340 1.826 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339097829 359288629 /nfs/dbraw/zinc/28/86/29/359288629.db2.gz WLRAFZNCFHWCBL-UHFFFAOYSA-N 1 1 279.340 1.826 20 5 CDBDMO CN1CCO[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046722 359352658 /nfs/dbraw/zinc/35/26/58/359352658.db2.gz FENVESMHACHVEV-UONOGXRCSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121046722 359352663 /nfs/dbraw/zinc/35/26/63/359352663.db2.gz FENVESMHACHVEV-UONOGXRCSA-N 1 1 277.324 1.110 20 5 CDBDMO Cn1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000339671732 359426469 /nfs/dbraw/zinc/42/64/69/359426469.db2.gz QARJZKMUYUOZNU-GHMZBOCLSA-N 1 1 292.339 1.290 20 5 CDBDMO Cc1nn(C)c(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000078333502 359900341 /nfs/dbraw/zinc/90/03/41/359900341.db2.gz PAHQTQMRYRLKRR-UHFFFAOYSA-N 1 1 278.316 1.644 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385752999 359916501 /nfs/dbraw/zinc/91/65/01/359916501.db2.gz DHSARZXIEJGSJE-AAEUAGOBSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000297843214 200290619 /nfs/dbraw/zinc/29/06/19/200290619.db2.gz SGEBUVLSTHGZRZ-AOOOYVTPSA-N 1 1 293.327 1.546 20 5 CDBDMO C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000177654426 189061952 /nfs/dbraw/zinc/06/19/52/189061952.db2.gz HMBYVGLRZXTDIT-NSHDSACASA-N 1 1 278.308 1.980 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000385884710 360463923 /nfs/dbraw/zinc/46/39/23/360463923.db2.gz LSLWHURGSNHYGH-KOLCDFICSA-N 1 1 268.288 1.937 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000345545139 361183433 /nfs/dbraw/zinc/18/34/33/361183433.db2.gz SKGKNRGXJFHCBZ-SNVBAGLBSA-N 1 1 297.359 1.179 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414935 361191744 /nfs/dbraw/zinc/19/17/44/361191744.db2.gz UTUMTAZIFVZEDQ-NXEZZACHSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414935 361191746 /nfs/dbraw/zinc/19/17/46/361191746.db2.gz UTUMTAZIFVZEDQ-NXEZZACHSA-N 1 1 295.295 1.706 20 5 CDBDMO COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301662804 201122340 /nfs/dbraw/zinc/12/23/40/201122340.db2.gz NDVCAODWRARUCU-TZMCWYRMSA-N 1 1 293.323 1.123 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@H+]1C1CC1 ZINC000268038925 364081551 /nfs/dbraw/zinc/08/15/51/364081551.db2.gz XLRAUOMKXQLNCF-IUCAKERBSA-N 1 1 278.312 1.278 20 5 CDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000456356294 364250367 /nfs/dbraw/zinc/25/03/67/364250367.db2.gz ROCRCQFMCCXQMQ-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000456356294 364250376 /nfs/dbraw/zinc/25/03/76/364250376.db2.gz ROCRCQFMCCXQMQ-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000456356294 364250380 /nfs/dbraw/zinc/25/03/80/364250380.db2.gz ROCRCQFMCCXQMQ-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000456356294 364250386 /nfs/dbraw/zinc/25/03/86/364250386.db2.gz ROCRCQFMCCXQMQ-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249402248 364676941 /nfs/dbraw/zinc/67/69/41/364676941.db2.gz CHYWFAMWGGLKNO-RAIGVLPGSA-N 1 1 282.344 1.273 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000412029814 364630264 /nfs/dbraw/zinc/63/02/64/364630264.db2.gz DPOIMMKPRQXKNZ-GXSJLCMTSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000412029814 364630272 /nfs/dbraw/zinc/63/02/72/364630272.db2.gz DPOIMMKPRQXKNZ-GXSJLCMTSA-N 1 1 298.314 1.945 20 5 CDBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1O ZINC000249574179 364905024 /nfs/dbraw/zinc/90/50/24/364905024.db2.gz PBILVACXERROLN-JOYOIKCWSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1O ZINC000249574179 364905033 /nfs/dbraw/zinc/90/50/33/364905033.db2.gz PBILVACXERROLN-JOYOIKCWSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330664891 203093145 /nfs/dbraw/zinc/09/31/45/203093145.db2.gz GSLWFXKACWPLRA-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330664891 203093146 /nfs/dbraw/zinc/09/31/46/203093146.db2.gz GSLWFXKACWPLRA-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000420632959 244299339 /nfs/dbraw/zinc/29/93/39/244299339.db2.gz IKGUZKQQGAZJNM-QMMMGPOBSA-N 1 1 256.331 1.582 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000330907246 203378101 /nfs/dbraw/zinc/37/81/01/203378101.db2.gz NRQKSBWSTPSNNV-DTWKUNHWSA-N 1 1 283.353 1.869 20 5 CDBDMO CC[N@@H+](C)CCNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000295512580 370443980 /nfs/dbraw/zinc/44/39/80/370443980.db2.gz LRDKOCWLPVHEBM-UHFFFAOYSA-N 1 1 295.339 1.674 20 5 CDBDMO CCOc1cc(C[N@H+](C)C(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000295689748 370572024 /nfs/dbraw/zinc/57/20/24/370572024.db2.gz LLAAGKSNLYNOGA-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO CCOc1cc(C[N@@H+](C)C(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000295689748 370572029 /nfs/dbraw/zinc/57/20/29/370572029.db2.gz LLAAGKSNLYNOGA-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700032 370575745 /nfs/dbraw/zinc/57/57/45/370575745.db2.gz MIACJHZRUHHLNF-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352877931 296190716 /nfs/dbraw/zinc/19/07/16/296190716.db2.gz RBMBKEHHWDIVJZ-OLZOCXBDSA-N 1 1 296.371 1.807 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)C2CC2)c1 ZINC000298755902 374140703 /nfs/dbraw/zinc/14/07/03/374140703.db2.gz NRJFMPHPLAKUSE-UHFFFAOYSA-N 1 1 266.297 1.430 20 5 CDBDMO COCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377713 374409430 /nfs/dbraw/zinc/40/94/30/374409430.db2.gz AEBIIFZDFFJNMV-ZDUSSCGKSA-N 1 1 293.323 1.278 20 5 CDBDMO COCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377713 374409434 /nfs/dbraw/zinc/40/94/34/374409434.db2.gz AEBIIFZDFFJNMV-ZDUSSCGKSA-N 1 1 293.323 1.278 20 5 CDBDMO Cc1ccnc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000070496206 374664437 /nfs/dbraw/zinc/66/44/37/374664437.db2.gz GWXFHDOVXSQDLN-JTQLQIEISA-N 1 1 262.313 1.947 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000154811906 374758811 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CC[C@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000293824488 374957202 /nfs/dbraw/zinc/95/72/02/374957202.db2.gz HVIBYRIDIZGIEF-GFCCVEGCSA-N 1 1 252.314 1.840 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@@H]3CCOC3)C2)nc1 ZINC000332068382 375002977 /nfs/dbraw/zinc/00/29/77/375002977.db2.gz AGGRVWUSZRGQTB-CMPLNLGQSA-N 1 1 278.312 1.265 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCCO ZINC000282451518 375086304 /nfs/dbraw/zinc/08/63/04/375086304.db2.gz KGMPXXMOAIZYPR-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCCO ZINC000282451518 375086309 /nfs/dbraw/zinc/08/63/09/375086309.db2.gz KGMPXXMOAIZYPR-UHFFFAOYSA-N 1 1 284.312 1.044 20 5 CDBDMO Cc1nc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000489927077 375195589 /nfs/dbraw/zinc/19/55/89/375195589.db2.gz RTHRJZDKHKJGTA-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO CCOc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000302857199 375261415 /nfs/dbraw/zinc/26/14/15/375261415.db2.gz MJAMCAMLHXVWSB-TXEJJXNPSA-N 1 1 291.351 1.991 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000162737820 375502664 /nfs/dbraw/zinc/50/26/64/375502664.db2.gz FANVQKSICOJYMY-NEPJUHHUSA-N 1 1 292.339 1.573 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162818870 375525310 /nfs/dbraw/zinc/52/53/10/375525310.db2.gz WDFTUWXHPPYSTH-DGCLKSJQSA-N 1 1 264.325 1.840 20 5 CDBDMO COc1cccc(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000228208804 375718021 /nfs/dbraw/zinc/71/80/21/375718021.db2.gz XQIKHPPQGMEBDY-NSHDSACASA-N 1 1 294.355 1.261 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000058926372 375841020 /nfs/dbraw/zinc/84/10/20/375841020.db2.gz IZACVMWVAAOJAQ-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO CC(C)[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000357326794 375899753 /nfs/dbraw/zinc/89/97/53/375899753.db2.gz AYKUTQIJTIUACF-UHFFFAOYSA-N 1 1 291.311 1.804 20 5 CDBDMO CC(C)[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 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1.796 20 5 CDBDMO Cc1nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ncc1[N+](=O)[O-] ZINC000294831135 391724798 /nfs/dbraw/zinc/72/47/98/391724798.db2.gz ADGUWTOMQVJNDF-CQSZACIVSA-N 1 1 291.355 1.615 20 5 CDBDMO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000442771949 392493343 /nfs/dbraw/zinc/49/33/43/392493343.db2.gz UGNZIXDRSWRSMZ-RYUDHWBXSA-N 1 1 279.340 1.643 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459718747 392501663 /nfs/dbraw/zinc/50/16/63/392501663.db2.gz NDCQFIKSQRCNSG-ZYHUDNBSSA-N 1 1 292.339 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459718747 392501671 /nfs/dbraw/zinc/50/16/71/392501671.db2.gz NDCQFIKSQRCNSG-ZYHUDNBSSA-N 1 1 292.339 1.329 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000425509695 393025794 /nfs/dbraw/zinc/02/57/94/393025794.db2.gz AEDHOXSRFZAHDO-NXEZZACHSA-N 1 1 252.318 1.949 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000429793169 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O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000372154814 160085672 /nfs/dbraw/zinc/08/56/72/160085672.db2.gz IBRZFNMYDZBNDT-VXGBXAGGSA-N 1 1 280.328 1.150 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373303251 160190281 /nfs/dbraw/zinc/19/02/81/160190281.db2.gz YKLNJIDNIYRZKG-HNNXBMFYSA-N 1 1 292.335 1.820 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000285339422 196254441 /nfs/dbraw/zinc/25/44/41/196254441.db2.gz OSBIRELJDLGRDX-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000285339422 196254443 /nfs/dbraw/zinc/25/44/43/196254443.db2.gz OSBIRELJDLGRDX-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CCNC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285373556 196264408 /nfs/dbraw/zinc/26/44/08/196264408.db2.gz RBSLQTZNPHXRLW-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000046055623 175391046 /nfs/dbraw/zinc/39/10/46/175391046.db2.gz HNSXDTBGXQJQGO-GFCCVEGCSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105790479 274271260 /nfs/dbraw/zinc/27/12/60/274271260.db2.gz KNEGWFOQTQBQFS-NWDGAFQWSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408402840 274334362 /nfs/dbraw/zinc/33/43/62/274334362.db2.gz PZSQHQYYVNDZML-MRVPVSSYSA-N 1 1 270.720 1.784 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000408402840 274334363 /nfs/dbraw/zinc/33/43/63/274334363.db2.gz PZSQHQYYVNDZML-MRVPVSSYSA-N 1 1 270.720 1.784 20 5 CDBDMO CN1CCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020128511 277105386 /nfs/dbraw/zinc/10/53/86/277105386.db2.gz UXDLSWAQLAZVFV-UHFFFAOYSA-N 1 1 292.383 1.322 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255313977 289365189 /nfs/dbraw/zinc/36/51/89/289365189.db2.gz WRDHLZXHBORWLV-TWGQIWQCSA-N 1 1 277.324 1.676 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181678501 323242330 /nfs/dbraw/zinc/24/23/30/323242330.db2.gz NCVSPQICXNHKGQ-JTQLQIEISA-N 1 1 254.286 1.286 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000579976108 324336294 /nfs/dbraw/zinc/33/62/94/324336294.db2.gz FYFZFFPBUYQCQU-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000579976108 324336296 /nfs/dbraw/zinc/33/62/96/324336296.db2.gz FYFZFFPBUYQCQU-UHFFFAOYSA-N 1 1 280.328 1.100 20 5 CDBDMO CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168967097 1161996267 /nfs/dbraw/zinc/99/62/67/1161996267.db2.gz NGWYKRXTBSVAPA-FRRDWIJNSA-N 1 1 255.362 1.506 20 5 CDBDMO CCN(c1ccc([N+](=O)[O-])c(OC)n1)C1C[NH+](C)C1 ZINC001157455442 1162092813 /nfs/dbraw/zinc/09/28/13/1162092813.db2.gz JZCBWZFETWVTLR-UHFFFAOYSA-N 1 1 266.301 1.139 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182122149 524066817 /nfs/dbraw/zinc/06/68/17/524066817.db2.gz DZTXFUKBENHCLD-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182122149 524066819 /nfs/dbraw/zinc/06/68/19/524066819.db2.gz DZTXFUKBENHCLD-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525815 524080495 /nfs/dbraw/zinc/08/04/95/524080495.db2.gz ZVVQHWCDGKJQBU-NSHDSACASA-N 1 1 295.339 1.288 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761294501 576565939 /nfs/dbraw/zinc/56/59/39/576565939.db2.gz WLCLJSONZWFJDE-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761294501 576565942 /nfs/dbraw/zinc/56/59/42/576565942.db2.gz WLCLJSONZWFJDE-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427294 576602526 /nfs/dbraw/zinc/60/25/26/576602526.db2.gz HDUUDQZBOSKIFF-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1ncccc1[N+](=O)[O-] ZINC000742426727 576602757 /nfs/dbraw/zinc/60/27/57/576602757.db2.gz BKMBSDDHHHVATE-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954272 576608671 /nfs/dbraw/zinc/60/86/71/576608671.db2.gz LIRAKKMNLHKPBS-NWDGAFQWSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954272 576608672 /nfs/dbraw/zinc/60/86/72/576608672.db2.gz LIRAKKMNLHKPBS-NWDGAFQWSA-N 1 1 291.351 1.861 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749800673 576963115 /nfs/dbraw/zinc/96/31/15/576963115.db2.gz SJKITXISUDACQR-GHMZBOCLSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749800673 576963117 /nfs/dbraw/zinc/96/31/17/576963117.db2.gz SJKITXISUDACQR-GHMZBOCLSA-N 1 1 266.301 1.107 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000892762480 617711138 /nfs/dbraw/zinc/71/11/38/617711138.db2.gz AHYZRLMEDXIPMH-LBPRGKRZSA-N 1 1 293.371 1.496 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCn2cc[nH+]c21 ZINC000931517660 617995502 /nfs/dbraw/zinc/99/55/02/617995502.db2.gz IARZNCBSZBKZPE-UHFFFAOYSA-N 1 1 274.280 1.820 20 5 CDBDMO COc1ccc(OC(F)F)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905159642 626641814 /nfs/dbraw/zinc/64/18/14/626641814.db2.gz LODJBKZTKGKFGH-UHFFFAOYSA-N 1 1 276.239 1.663 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905213869 626694827 /nfs/dbraw/zinc/69/48/27/626694827.db2.gz RXLNNDCBCBXBKU-GXTWGEPZSA-N 1 1 263.341 1.373 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC000905213869 626694828 /nfs/dbraw/zinc/69/48/28/626694828.db2.gz RXLNNDCBCBXBKU-GXTWGEPZSA-N 1 1 263.341 1.373 20 5 CDBDMO O=[N+]([O-])CCNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000905366076 626785320 /nfs/dbraw/zinc/78/53/20/626785320.db2.gz FNHQTTAHCCJGTL-HNNXBMFYSA-N 1 1 293.367 1.010 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170334541 1162338077 /nfs/dbraw/zinc/33/80/77/1162338077.db2.gz GOZPWXKGEVUOKY-DGCLKSJQSA-N 1 1 294.351 1.991 20 5 CDBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001167278572 1158555980 /nfs/dbraw/zinc/55/59/80/1158555980.db2.gz MWBSJOUECYYBJH-JTQLQIEISA-N 1 1 279.296 1.497 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC000310630221 1186673095 /nfs/dbraw/zinc/67/30/95/1186673095.db2.gz MVSHVVKHYVTESH-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC000310630221 1186673098 /nfs/dbraw/zinc/67/30/98/1186673098.db2.gz MVSHVVKHYVTESH-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164637824 719168261 /nfs/dbraw/zinc/16/82/61/719168261.db2.gz OYWLSGNWFOIWMK-HTQZYQBOSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164637824 719168265 /nfs/dbraw/zinc/16/82/65/719168265.db2.gz OYWLSGNWFOIWMK-HTQZYQBOSA-N 1 1 299.762 1.875 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000839463667 782207385 /nfs/dbraw/zinc/20/73/85/782207385.db2.gz ZQUGCYZAXLYBOV-JHJVBQTASA-N 1 1 295.314 1.210 20 5 CDBDMO CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000867943682 1164884744 /nfs/dbraw/zinc/88/47/44/1164884744.db2.gz CVFIWSGZUKXTBX-GXTWGEPZSA-N 1 1 293.323 1.016 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1F ZINC000884824252 782857366 /nfs/dbraw/zinc/85/73/66/782857366.db2.gz TZURJCGRIDCFBQ-UHFFFAOYSA-N 1 1 257.265 1.070 20 5 CDBDMO C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193513129 783058812 /nfs/dbraw/zinc/05/88/12/783058812.db2.gz GFIRTWJISQYPNA-UHFFFAOYSA-N 1 1 253.277 1.481 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CF)C1 ZINC000880299818 783152578 /nfs/dbraw/zinc/15/25/78/783152578.db2.gz YBJWMKFJJXBESF-NEPJUHHUSA-N 1 1 298.314 1.626 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000778256245 780358282 /nfs/dbraw/zinc/35/82/82/780358282.db2.gz ZJNLRZHIHIOUQT-HONMWMINSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886129742 781834305 /nfs/dbraw/zinc/83/43/05/781834305.db2.gz MMMOYZBZAAXHKD-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO Nc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853232204 783322855 /nfs/dbraw/zinc/32/28/55/783322855.db2.gz VTSGOUCMJHWDFO-SNVBAGLBSA-N 1 1 262.313 1.826 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779867728 783541868 /nfs/dbraw/zinc/54/18/68/783541868.db2.gz NOXNSLATTSZVKN-ZDUSSCGKSA-N 1 1 294.355 1.806 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779867728 783541884 /nfs/dbraw/zinc/54/18/84/783541884.db2.gz NOXNSLATTSZVKN-ZDUSSCGKSA-N 1 1 294.355 1.806 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001173231710 912326768 /nfs/dbraw/zinc/32/67/68/912326768.db2.gz CKSCVZCQBUBSRP-HONMWMINSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001173231710 912326783 /nfs/dbraw/zinc/32/67/83/912326783.db2.gz CKSCVZCQBUBSRP-HONMWMINSA-N 1 1 262.309 1.999 20 5 CDBDMO [NH3+]Cc1cccn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001167595643 896962432 /nfs/dbraw/zinc/96/24/32/896962432.db2.gz IYBQRFZUSYYXGU-UHFFFAOYSA-N 1 1 257.253 1.721 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000697869535 909410672 /nfs/dbraw/zinc/41/06/72/909410672.db2.gz CEWRDQWFIDCSCU-UHFFFAOYSA-N 1 1 267.260 1.169 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000712556875 909583079 /nfs/dbraw/zinc/58/30/79/909583079.db2.gz LCMKOIKIXZKHKM-SNVBAGLBSA-N 1 1 273.296 1.654 20 5 CDBDMO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842233375 909591972 /nfs/dbraw/zinc/59/19/72/909591972.db2.gz SLWWWIUTCMECMD-VXGBXAGGSA-N 1 1 269.345 1.080 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000843806094 909717833 /nfs/dbraw/zinc/71/78/33/909717833.db2.gz MAVXHPSHNCEIAL-VIFPVBQESA-N 1 1 295.314 1.818 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000843806094 909717842 /nfs/dbraw/zinc/71/78/42/909717842.db2.gz MAVXHPSHNCEIAL-VIFPVBQESA-N 1 1 295.314 1.818 20 5 CDBDMO [NH3+]CC[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000923479834 923866563 /nfs/dbraw/zinc/86/65/63/923866563.db2.gz SWORKLOZHBPMSQ-SNVBAGLBSA-N 1 1 250.302 1.161 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001324490031 927237862 /nfs/dbraw/zinc/23/78/62/927237862.db2.gz YQMIVCGIPPCSCP-PWSUYJOCSA-N 1 1 262.313 1.439 20 5 CDBDMO CC(C)(C)OC(=O)NC1C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007306 927612585 /nfs/dbraw/zinc/61/25/85/927612585.db2.gz MLGDHNMGUJGRHN-ZYHUDNBSSA-N 1 1 299.371 1.641 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccccc2)C1 ZINC001169009470 927614887 /nfs/dbraw/zinc/61/48/87/927614887.db2.gz WJZHYKWITMVHLX-LSDHHAIUSA-N 1 1 278.352 1.926 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010922 927617200 /nfs/dbraw/zinc/61/72/00/927617200.db2.gz GEAZCCMZVDQICX-YVECIDJPSA-N 1 1 256.346 1.525 20 5 CDBDMO Cc1ncc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169036532 927643540 /nfs/dbraw/zinc/64/35/40/927643540.db2.gz GJRWISAVBQKPCP-WCQYABFASA-N 1 1 264.329 1.662 20 5 CDBDMO Cn1cc2c(n1)CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169035348 927645305 /nfs/dbraw/zinc/64/53/05/927645305.db2.gz KMHAORQMEOALLF-JQWIXIFHSA-N 1 1 264.329 1.224 20 5 CDBDMO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038048 927646299 /nfs/dbraw/zinc/64/62/99/927646299.db2.gz VIAHNFWONLGGIB-GHMZBOCLSA-N 1 1 292.339 1.289 20 5 CDBDMO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169038049 927646834 /nfs/dbraw/zinc/64/68/34/927646834.db2.gz VIAHNFWONLGGIB-MNOVXSKESA-N 1 1 292.339 1.289 20 5 CDBDMO CN1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169050041 927669565 /nfs/dbraw/zinc/66/95/65/927669565.db2.gz YJYAOKYRLOILGR-AAVRWANBSA-N 1 1 267.373 1.458 20 5 CDBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057461 927674615 /nfs/dbraw/zinc/67/46/15/927674615.db2.gz VLILBBRUUOQJKE-YNEHKIRRSA-N 1 1 283.372 1.422 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000776579261 927754541 /nfs/dbraw/zinc/75/45/41/927754541.db2.gz LGVQOERTMXKKCC-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@H]1COCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776593542 927785515 /nfs/dbraw/zinc/78/55/15/927785515.db2.gz LCGHGHKTAYZGFQ-FZMZJTMJSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000853390248 928012714 /nfs/dbraw/zinc/01/27/14/928012714.db2.gz RCTMXRNNEMXASY-SECBINFHSA-N 1 1 284.747 1.961 20 5 CDBDMO Cc1cnc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157260252 929390140 /nfs/dbraw/zinc/39/01/40/929390140.db2.gz IQCPCKYANYOSFI-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277302 930481776 /nfs/dbraw/zinc/48/17/76/930481776.db2.gz HKNSPBQKAWUCNX-LALPHHSUSA-N 1 1 294.351 1.579 20 5 CDBDMO C[N@@H+](CCO)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884826232 930639025 /nfs/dbraw/zinc/63/90/25/930639025.db2.gz QHWLZSKWQJQFDS-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO CCCC[N@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885985521 930784127 /nfs/dbraw/zinc/78/41/27/930784127.db2.gz KICAAQXFVRNCQK-UHFFFAOYSA-N 1 1 253.302 1.584 20 5 CDBDMO CCCC[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000885985521 930784131 /nfs/dbraw/zinc/78/41/31/930784131.db2.gz KICAAQXFVRNCQK-UHFFFAOYSA-N 1 1 253.302 1.584 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000886037605 930792229 /nfs/dbraw/zinc/79/22/29/930792229.db2.gz MFOIIUKAZSPDLV-CYBMUJFWSA-N 1 1 263.297 1.602 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337882 930865321 /nfs/dbraw/zinc/86/53/21/930865321.db2.gz DHEHDAXCFDPKGM-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337882 930865324 /nfs/dbraw/zinc/86/53/24/930865324.db2.gz DHEHDAXCFDPKGM-GARJFASQSA-N 1 1 275.308 1.874 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000929094564 933203187 /nfs/dbraw/zinc/20/31/87/933203187.db2.gz UWJJGPBSVXPTLH-UHFFFAOYSA-N 1 1 263.341 1.995 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1N1CCCC1 ZINC000929094564 933203193 /nfs/dbraw/zinc/20/31/93/933203193.db2.gz UWJJGPBSVXPTLH-UHFFFAOYSA-N 1 1 263.341 1.995 20 5 CDBDMO COCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000929390844 933231817 /nfs/dbraw/zinc/23/18/17/933231817.db2.gz ANYNERUEJWPDQK-GFCCVEGCSA-N 1 1 252.314 1.973 20 5 CDBDMO COCC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000929390844 933231821 /nfs/dbraw/zinc/23/18/21/933231821.db2.gz ANYNERUEJWPDQK-GFCCVEGCSA-N 1 1 252.314 1.973 20 5 CDBDMO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930445846 933377112 /nfs/dbraw/zinc/37/71/12/933377112.db2.gz JYRLADITHYPZTG-GFCCVEGCSA-N 1 1 287.360 1.644 20 5 CDBDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930445846 933377122 /nfs/dbraw/zinc/37/71/22/933377122.db2.gz JYRLADITHYPZTG-GFCCVEGCSA-N 1 1 287.360 1.644 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1 ZINC000933866011 933866389 /nfs/dbraw/zinc/86/63/89/933866389.db2.gz HXGDOIWWHCZYIR-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO COc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001157263003 938471315 /nfs/dbraw/zinc/47/13/15/938471315.db2.gz ZVDLXEWSAIYETP-JQWIXIFHSA-N 1 1 292.339 1.529 20 5 CDBDMO COc1ncc([N+](=O)[O-])c(NCCn2cc[nH+]c2C)n1 ZINC001163920166 939351786 /nfs/dbraw/zinc/35/17/86/939351786.db2.gz TUWOPMZTROKCDB-UHFFFAOYSA-N 1 1 278.272 1.010 20 5 CDBDMO [NH3+][C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCC1(F)F ZINC001164319792 939454449 /nfs/dbraw/zinc/45/44/49/939454449.db2.gz PKHIAIKRLABGQW-MRVPVSSYSA-N 1 1 276.218 1.302 20 5 CDBDMO CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494922 939479463 /nfs/dbraw/zinc/47/94/63/939479463.db2.gz YNLDQCDXLNLYID-CHWSQXEVSA-N 1 1 297.399 1.574 20 5 CDBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC001225634737 941892217 /nfs/dbraw/zinc/89/22/17/941892217.db2.gz NLZBFENLHIKRLA-SNVBAGLBSA-N 1 1 260.253 1.580 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001228687045 942357549 /nfs/dbraw/zinc/35/75/49/942357549.db2.gz TZEMHYUXODDOKH-MRVPVSSYSA-N 1 1 253.258 1.087 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@@H+](C)C1 ZINC001229957855 942558321 /nfs/dbraw/zinc/55/83/21/942558321.db2.gz MLPGDKFIWZIPGL-JTQLQIEISA-N 1 1 294.307 1.773 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001254552256 947521631 /nfs/dbraw/zinc/52/16/31/947521631.db2.gz JNDDNKONRFOAED-KYOSRNDESA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592735 947543512 /nfs/dbraw/zinc/54/35/12/947543512.db2.gz GHMHFOUCQPNNKC-WKPIXPDZSA-N 1 1 276.336 1.765 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599066 947550680 /nfs/dbraw/zinc/55/06/80/947550680.db2.gz JYLNRXIHGVJZCG-ZDUSSCGKSA-N 1 1 277.324 1.130 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599065 947551381 /nfs/dbraw/zinc/55/13/81/947551381.db2.gz JYLNRXIHGVJZCG-CYBMUJFWSA-N 1 1 277.324 1.130 20 5 CDBDMO CC[N@@H+](C1CN(C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612875 947556542 /nfs/dbraw/zinc/55/65/42/947556542.db2.gz ZYBQKFHNNQYFPP-CQSZACIVSA-N 1 1 275.352 1.698 20 5 CDBDMO Nc1[nH+]ccc2c1CN(c1cccnc1[N+](=O)[O-])CC2 ZINC001307230748 956385221 /nfs/dbraw/zinc/38/52/21/956385221.db2.gz XHJKTJYDQFFWAO-UHFFFAOYSA-N 1 1 271.280 1.530 20 5 CDBDMO CN(CCCF)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001332136678 957447305 /nfs/dbraw/zinc/44/73/05/957447305.db2.gz TVZYTEJRRQKUNN-CYBMUJFWSA-N 1 1 283.303 1.587 20 5 CDBDMO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001319830588 958743885 /nfs/dbraw/zinc/74/38/85/958743885.db2.gz CHZMIWMGHBLISN-UHFFFAOYSA-N 1 1 288.307 1.997 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1C ZINC001333998139 958751926 /nfs/dbraw/zinc/75/19/26/958751926.db2.gz BSKZPUTVRJHHKM-LLVKDONJSA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1C ZINC001333998139 958751940 /nfs/dbraw/zinc/75/19/40/958751940.db2.gz BSKZPUTVRJHHKM-LLVKDONJSA-N 1 1 291.351 1.988 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322149483 960112149 /nfs/dbraw/zinc/11/21/49/960112149.db2.gz WIGZPQZETOTPAK-CQSZACIVSA-N 1 1 289.335 1.921 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093127 960929329 /nfs/dbraw/zinc/92/93/29/960929329.db2.gz XSOVIFUDFJKLQC-VHSXEESVSA-N 1 1 279.344 1.491 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601016289 342458179 /nfs/dbraw/zinc/45/81/79/342458179.db2.gz JHPIFKBIFIVROM-SECBINFHSA-N 1 1 293.298 1.700 20 5 CDBDMO COC[C@@H](CCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120925 342471195 /nfs/dbraw/zinc/47/11/95/342471195.db2.gz LQSMPHQVKRAYHB-SNVBAGLBSA-N 1 1 291.307 1.374 20 5 CDBDMO CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601122476 342471385 /nfs/dbraw/zinc/47/13/85/342471385.db2.gz XPLKQZALWSQKJX-UHFFFAOYSA-N 1 1 286.291 1.421 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000590703688 342582500 /nfs/dbraw/zinc/58/25/00/342582500.db2.gz SFXIDIMZCSQQOV-SNVBAGLBSA-N 1 1 265.317 1.224 20 5 CDBDMO Cn1ccnc1[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432182 365645880 /nfs/dbraw/zinc/64/58/80/365645880.db2.gz YRERKHFQWLQPPV-SNVBAGLBSA-N 1 1 290.327 1.051 20 5 CDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432182 365645889 /nfs/dbraw/zinc/64/58/89/365645889.db2.gz YRERKHFQWLQPPV-SNVBAGLBSA-N 1 1 290.327 1.051 20 5 CDBDMO COCC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591146719 342618550 /nfs/dbraw/zinc/61/85/50/342618550.db2.gz VCVIXIJRMRTPCZ-SNVBAGLBSA-N 1 1 298.318 1.652 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593187566 342776444 /nfs/dbraw/zinc/77/64/44/342776444.db2.gz LYIVVDUVQDNPKB-HBNTYKKESA-N 1 1 294.355 1.486 20 5 CDBDMO O=[N+]([O-])c1ncccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384354 342267854 /nfs/dbraw/zinc/26/78/54/342267854.db2.gz MVGLRSHYFWHVFY-NSHDSACASA-N 1 1 262.313 1.886 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388326 343052939 /nfs/dbraw/zinc/05/29/39/343052939.db2.gz GSJKMLBBYGKLQT-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388326 343052940 /nfs/dbraw/zinc/05/29/40/343052940.db2.gz GSJKMLBBYGKLQT-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO COC[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595342983 343043790 /nfs/dbraw/zinc/04/37/90/343043790.db2.gz SZQIXDSGTJIFJE-VIFPVBQESA-N 1 1 255.274 1.502 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595342983 343043792 /nfs/dbraw/zinc/04/37/92/343043792.db2.gz SZQIXDSGTJIFJE-VIFPVBQESA-N 1 1 255.274 1.502 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595508397 343080823 /nfs/dbraw/zinc/08/08/23/343080823.db2.gz XFGHDKJJQXQCNA-NSHDSACASA-N 1 1 256.277 1.937 20 5 CDBDMO Cc1ccnc(NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000077995719 342333014 /nfs/dbraw/zinc/33/30/14/342333014.db2.gz OECSKLKPFMOBJQ-NSHDSACASA-N 1 1 294.355 1.678 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595767520 343146243 /nfs/dbraw/zinc/14/62/43/343146243.db2.gz YIRRKVZDCVEORV-BXUZGUMPSA-N 1 1 264.325 1.983 20 5 CDBDMO COc1ccc(OCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000596239446 343283788 /nfs/dbraw/zinc/28/37/88/343283788.db2.gz HYVCAWWKXCTNRD-UHFFFAOYSA-N 1 1 277.280 1.958 20 5 CDBDMO C[NH+](C)CCCC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598739406 343892973 /nfs/dbraw/zinc/89/29/73/343892973.db2.gz YBHNCWHJFFQLEN-UHFFFAOYSA-N 1 1 283.332 1.168 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599105733 343955099 /nfs/dbraw/zinc/95/50/99/343955099.db2.gz PXLBUBVGZCACFW-UHFFFAOYSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@@H](C[S@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602607905 344491737 /nfs/dbraw/zinc/49/17/37/344491737.db2.gz KVVCAPRTPLWBMA-FHZGZLOMSA-N 1 1 297.336 1.593 20 5 CDBDMO CN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000336814831 362401797 /nfs/dbraw/zinc/40/17/97/362401797.db2.gz GNKVAMZQJBPYTN-VIFPVBQESA-N 1 1 267.260 1.054 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@@H+]1C ZINC000343473203 362483364 /nfs/dbraw/zinc/48/33/64/362483364.db2.gz WVJLUEZWLVOOSM-RKDXNWHRSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCC[N@H+]1C ZINC000343473203 362483368 /nfs/dbraw/zinc/48/33/68/362483368.db2.gz WVJLUEZWLVOOSM-RKDXNWHRSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343516066 362490989 /nfs/dbraw/zinc/49/09/89/362490989.db2.gz KNIUTDNPKHPKBK-AAEUAGOBSA-N 1 1 291.351 1.736 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000311703098 344816179 /nfs/dbraw/zinc/81/61/79/344816179.db2.gz MJHQCSWYPUDHKP-LLVKDONJSA-N 1 1 268.313 1.675 20 5 CDBDMO C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000086961784 345560416 /nfs/dbraw/zinc/56/04/16/345560416.db2.gz ZLPOARTUQYLZFK-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075769305 345609102 /nfs/dbraw/zinc/60/91/02/345609102.db2.gz ONPGJNGZVARSGT-BNOWGMLFSA-N 1 1 294.355 1.417 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC000317589195 260282234 /nfs/dbraw/zinc/28/22/34/260282234.db2.gz CUKVXIJTWIOROB-CABZTGNLSA-N 1 1 286.715 1.033 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC000317589195 260282237 /nfs/dbraw/zinc/28/22/37/260282237.db2.gz CUKVXIJTWIOROB-CABZTGNLSA-N 1 1 286.715 1.033 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610447626 346284228 /nfs/dbraw/zinc/28/42/28/346284228.db2.gz CNLWMIJLMVFXOO-LBPRGKRZSA-N 1 1 290.327 1.325 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615579 346323290 /nfs/dbraw/zinc/32/32/90/346323290.db2.gz RSUIGXISQBCSIV-LBPRGKRZSA-N 1 1 293.323 1.305 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611084421 346603722 /nfs/dbraw/zinc/60/37/22/346603722.db2.gz VPDBTDARMTVJKJ-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000611299156 346740755 /nfs/dbraw/zinc/74/07/55/346740755.db2.gz SEQZGPFQGVHSDW-VHSXEESVSA-N 1 1 250.302 1.519 20 5 CDBDMO CSCC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554440 180002264 /nfs/dbraw/zinc/00/22/64/180002264.db2.gz HIBULXARLJIFKC-LLVKDONJSA-N 1 1 299.396 1.830 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCOC1 ZINC000106879980 186146525 /nfs/dbraw/zinc/14/65/25/186146525.db2.gz RITKHELOYHUCLZ-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCOC1 ZINC000106879980 186146527 /nfs/dbraw/zinc/14/65/27/186146527.db2.gz RITKHELOYHUCLZ-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292454584 198294975 /nfs/dbraw/zinc/29/49/75/198294975.db2.gz PRTYVEPWAVLVTB-JQWIXIFHSA-N 1 1 250.298 1.940 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000411924067 363380725 /nfs/dbraw/zinc/38/07/25/363380725.db2.gz PMGIASPGJBSDPR-RYUDHWBXSA-N 1 1 266.297 1.176 20 5 CDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383890 357341233 /nfs/dbraw/zinc/34/12/33/357341233.db2.gz LOHWALSBRKXTRD-GLQYFDAESA-N 1 1 294.351 1.864 20 5 CDBDMO CCc1[nH+]ccn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182256943 357426528 /nfs/dbraw/zinc/42/65/28/357426528.db2.gz RDSCQSBWLHHATB-NSHDSACASA-N 1 1 291.307 1.794 20 5 CDBDMO CCc1n[nH]c(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000264610743 357443155 /nfs/dbraw/zinc/44/31/55/357443155.db2.gz OTIJWCCGFSFGNM-UHFFFAOYSA-N 1 1 297.359 1.340 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186785489 357689658 /nfs/dbraw/zinc/68/96/58/357689658.db2.gz BSXACBUFRHERDG-UHFFFAOYSA-N 1 1 283.353 1.823 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074627 357813075 /nfs/dbraw/zinc/81/30/75/357813075.db2.gz XDYRQSUTZXVFFP-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408074627 357813079 /nfs/dbraw/zinc/81/30/79/357813079.db2.gz XDYRQSUTZXVFFP-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472553 358047882 /nfs/dbraw/zinc/04/78/82/358047882.db2.gz QKINOSKFXXZLFU-QWRGUYRKSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162655 358224634 /nfs/dbraw/zinc/22/46/34/358224634.db2.gz YHFAKRONIPRJQA-NXEZZACHSA-N 1 1 293.323 1.465 20 5 CDBDMO COCC[N@@H+](C)CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193385113 358291036 /nfs/dbraw/zinc/29/10/36/358291036.db2.gz VBIYLQJKHQMRBT-UHFFFAOYSA-N 1 1 282.344 1.557 20 5 CDBDMO CC1(C)C[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000193404202 358292175 /nfs/dbraw/zinc/29/21/75/358292175.db2.gz RLACPWNADDAXFG-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO CC1(C)C[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000193404202 358292176 /nfs/dbraw/zinc/29/21/76/358292176.db2.gz RLACPWNADDAXFG-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCOC1 ZINC000176236332 358749473 /nfs/dbraw/zinc/74/94/73/358749473.db2.gz CZMMFENSDNXGEW-LLVKDONJSA-N 1 1 268.317 1.150 20 5 CDBDMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cn2ccccc2[nH+]1 ZINC000436473424 358719446 /nfs/dbraw/zinc/71/94/46/358719446.db2.gz IYXMSBJUMXEAEM-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264949014 358791519 /nfs/dbraw/zinc/79/15/19/358791519.db2.gz XUKLIRBSWAZVBI-XEHSLEBBSA-N 1 1 289.335 1.818 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450330749 358892099 /nfs/dbraw/zinc/89/20/99/358892099.db2.gz POCVDBASTFIYAP-SECBINFHSA-N 1 1 265.317 1.224 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176307191 358962532 /nfs/dbraw/zinc/96/25/32/358962532.db2.gz OIHBNXDKJYHWOD-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104188470 358950419 /nfs/dbraw/zinc/95/04/19/358950419.db2.gz NIYJSUIFBNNETI-NSHDSACASA-N 1 1 277.324 1.585 20 5 CDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000339618064 359416574 /nfs/dbraw/zinc/41/65/74/359416574.db2.gz ALDDRODAMPMEBU-BETUJISGSA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339618064 359416576 /nfs/dbraw/zinc/41/65/76/359416576.db2.gz ALDDRODAMPMEBU-BETUJISGSA-N 1 1 293.367 1.998 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CO ZINC000339625591 359419766 /nfs/dbraw/zinc/41/97/66/359419766.db2.gz KPTZKNSITFGIGA-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000339706693 359430982 /nfs/dbraw/zinc/43/09/82/359430982.db2.gz WRFRJYPMGQQXIQ-CQSZACIVSA-N 1 1 296.371 1.559 20 5 CDBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000339706693 359430987 /nfs/dbraw/zinc/43/09/87/359430987.db2.gz WRFRJYPMGQQXIQ-CQSZACIVSA-N 1 1 296.371 1.559 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000571356031 359569358 /nfs/dbraw/zinc/56/93/58/359569358.db2.gz MYQNILBAMFEFDW-CYBMUJFWSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000296983714 200053692 /nfs/dbraw/zinc/05/36/92/200053692.db2.gz XXEVSOMPLCALHT-LLVKDONJSA-N 1 1 292.339 1.976 20 5 CDBDMO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000297073258 200078465 /nfs/dbraw/zinc/07/84/65/200078465.db2.gz LQQNBWKWQYSGPJ-UHFFFAOYSA-N 1 1 277.324 1.726 20 5 CDBDMO Cc1c(CC(=O)NC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000297214569 200116374 /nfs/dbraw/zinc/11/63/74/200116374.db2.gz XBMBAJCAMPLPIL-UHFFFAOYSA-N 1 1 291.351 1.655 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351494095 360612408 /nfs/dbraw/zinc/61/24/08/360612408.db2.gz NHUJMMGZRZHHQS-FRRDWIJNSA-N 1 1 291.351 1.643 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000168368400 361166617 /nfs/dbraw/zinc/16/66/17/361166617.db2.gz CLIFASQEWXSLJQ-JQWIXIFHSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](C1CC1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000304289744 239356483 /nfs/dbraw/zinc/35/64/83/239356483.db2.gz BXAFWWOYLUYBQE-YGRLFVJLSA-N 1 1 294.355 1.415 20 5 CDBDMO C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000580338077 363902368 /nfs/dbraw/zinc/90/23/68/363902368.db2.gz HOLYSAQRFZNYEE-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000580338077 363902375 /nfs/dbraw/zinc/90/23/75/363902375.db2.gz HOLYSAQRFZNYEE-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000580338077 363902381 /nfs/dbraw/zinc/90/23/81/363902381.db2.gz HOLYSAQRFZNYEE-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000267986869 363945046 /nfs/dbraw/zinc/94/50/46/363945046.db2.gz JNXYNOITQWFQSK-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456363271 364264604 /nfs/dbraw/zinc/26/46/04/364264604.db2.gz XHLCRQCDPSKNJO-SNVBAGLBSA-N 1 1 281.312 1.744 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456363271 364264607 /nfs/dbraw/zinc/26/46/07/364264607.db2.gz XHLCRQCDPSKNJO-SNVBAGLBSA-N 1 1 281.312 1.744 20 5 CDBDMO Cc1cccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000275380485 193015635 /nfs/dbraw/zinc/01/56/35/193015635.db2.gz BEWDHTAIFDYJFO-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)C1CCC1 ZINC000275784469 193127254 /nfs/dbraw/zinc/12/72/54/193127254.db2.gz CTNYFPAGLKYWIX-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(CO)CO ZINC000158970843 365517149 /nfs/dbraw/zinc/51/71/49/365517149.db2.gz AMVIZWZGOSOXSE-UHFFFAOYSA-N 1 1 298.339 1.026 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(CO)CO ZINC000158970843 365517153 /nfs/dbraw/zinc/51/71/53/365517153.db2.gz AMVIZWZGOSOXSE-UHFFFAOYSA-N 1 1 298.339 1.026 20 5 CDBDMO C[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000076195463 367010259 /nfs/dbraw/zinc/01/02/59/367010259.db2.gz PDLVNPXQESLIES-UHFFFAOYSA-N 1 1 288.307 1.464 20 5 CDBDMO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420374431 244168177 /nfs/dbraw/zinc/16/81/77/244168177.db2.gz RZGUHYHJYNDOOJ-TYNCELHUSA-N 1 1 293.367 1.950 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645043 244309319 /nfs/dbraw/zinc/30/93/19/244309319.db2.gz ZRJOQAROEBKXAD-NSHDSACASA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303171 193279908 /nfs/dbraw/zinc/27/99/08/193279908.db2.gz KIIBVVMPANYZTI-ZRNGKTOUSA-N 1 1 288.344 1.933 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276303171 193279909 /nfs/dbraw/zinc/27/99/09/193279909.db2.gz KIIBVVMPANYZTI-ZRNGKTOUSA-N 1 1 288.344 1.933 20 5 CDBDMO CCOCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266225984 371390615 /nfs/dbraw/zinc/39/06/15/371390615.db2.gz RNVZCAUIZRAGRD-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO O=C(NCCCCC[NH+]1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000293786494 372784904 /nfs/dbraw/zinc/78/49/04/372784904.db2.gz ADIKEHDKIOKGFZ-UHFFFAOYSA-N 1 1 295.343 1.314 20 5 CDBDMO Cc1c(C[N@H+]2CCNC(=O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369437300 374353071 /nfs/dbraw/zinc/35/30/71/374353071.db2.gz KINLBGIGOWIRFE-JTQLQIEISA-N 1 1 277.324 1.614 20 5 CDBDMO Cc1c(C[N@@H+]2CCNC(=O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369437300 374353073 /nfs/dbraw/zinc/35/30/73/374353073.db2.gz KINLBGIGOWIRFE-JTQLQIEISA-N 1 1 277.324 1.614 20 5 CDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056164 374377177 /nfs/dbraw/zinc/37/71/77/374377177.db2.gz OYVPLWGPRARDCP-RYUDHWBXSA-N 1 1 293.371 1.387 20 5 CDBDMO Cc1ccnc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000115517051 374411832 /nfs/dbraw/zinc/41/18/32/374411832.db2.gz XDHGMJSJENVIKH-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000115517051 374411840 /nfs/dbraw/zinc/41/18/40/374411840.db2.gz XDHGMJSJENVIKH-VXGBXAGGSA-N 1 1 294.355 1.190 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374412283 374484832 /nfs/dbraw/zinc/48/48/32/374484832.db2.gz RCHOPMVJMKFNMZ-MNOVXSKESA-N 1 1 280.328 1.187 20 5 CDBDMO NC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000081542257 374517714 /nfs/dbraw/zinc/51/77/14/374517714.db2.gz WKCDIQKWIAHXCZ-UHFFFAOYSA-N 1 1 278.312 1.228 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429118626 374569062 /nfs/dbraw/zinc/56/90/62/374569062.db2.gz TUSCIJIALZJQRQ-GWCFXTLKSA-N 1 1 280.324 1.949 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429118626 374569070 /nfs/dbraw/zinc/56/90/70/374569070.db2.gz TUSCIJIALZJQRQ-GWCFXTLKSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460279 374673041 /nfs/dbraw/zinc/67/30/41/374673041.db2.gz KHOGRKSBLIVVKG-GFCCVEGCSA-N 1 1 293.371 1.428 20 5 CDBDMO CC(C)(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331299238 374926051 /nfs/dbraw/zinc/92/60/51/374926051.db2.gz BFRNUBIZABBUPV-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO CC(C)(C)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331299238 374926054 /nfs/dbraw/zinc/92/60/54/374926054.db2.gz BFRNUBIZABBUPV-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331591624 374976162 /nfs/dbraw/zinc/97/61/62/374976162.db2.gz XXLUCABHKLPTCH-LLVKDONJSA-N 1 1 289.335 1.870 20 5 CDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000280322956 374992517 /nfs/dbraw/zinc/99/25/17/374992517.db2.gz URASKQWDYDTJBY-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO C[N@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283422285 375115326 /nfs/dbraw/zinc/11/53/26/375115326.db2.gz FYAVXJGONUFCRY-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283422285 375115327 /nfs/dbraw/zinc/11/53/27/375115327.db2.gz FYAVXJGONUFCRY-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000230872780 375662474 /nfs/dbraw/zinc/66/24/74/375662474.db2.gz ZISNQBACJWTOQL-UHFFFAOYSA-N 1 1 253.306 1.527 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048362 375672620 /nfs/dbraw/zinc/67/26/20/375672620.db2.gz ZSMKCSHJXXDZKD-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO COCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266835575 377464025 /nfs/dbraw/zinc/46/40/25/377464025.db2.gz JNIGTVQXNXOYIH-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)C1 ZINC000266956431 378905603 /nfs/dbraw/zinc/90/56/03/378905603.db2.gz VRYORRUPKWJFCY-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)C1 ZINC000266956431 378905605 /nfs/dbraw/zinc/90/56/05/378905605.db2.gz VRYORRUPKWJFCY-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174873891 379602388 /nfs/dbraw/zinc/60/23/88/379602388.db2.gz WPZCBYKHWNVUAN-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO COCCOCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000289102990 197234721 /nfs/dbraw/zinc/23/47/21/197234721.db2.gz VNAQJNDZWZGBER-UHFFFAOYSA-N 1 1 298.339 1.568 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(CO)CC1 ZINC000505863781 254095189 /nfs/dbraw/zinc/09/51/89/254095189.db2.gz GWPZWDWSWTVDHW-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451634906 390638956 /nfs/dbraw/zinc/63/89/56/390638956.db2.gz SFPMLPCNEZEWJY-DOMZBBRYSA-N 1 1 291.351 1.610 20 5 CDBDMO COCC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000110560256 390663003 /nfs/dbraw/zinc/66/30/03/390663003.db2.gz DXHRWFLXEIVHNO-LLVKDONJSA-N 1 1 297.330 1.891 20 5 CDBDMO COCC[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000110560256 390663005 /nfs/dbraw/zinc/66/30/05/390663005.db2.gz DXHRWFLXEIVHNO-LLVKDONJSA-N 1 1 297.330 1.891 20 5 CDBDMO COc1cc(C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184200727 391073289 /nfs/dbraw/zinc/07/32/89/391073289.db2.gz IQICOGFGKSAKFK-JTQLQIEISA-N 1 1 284.287 1.699 20 5 CDBDMO COc1cc(C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000184200727 391073293 /nfs/dbraw/zinc/07/32/93/391073293.db2.gz IQICOGFGKSAKFK-JTQLQIEISA-N 1 1 284.287 1.699 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000574406030 391137562 /nfs/dbraw/zinc/13/75/62/391137562.db2.gz YQYYTQPBNAJDMK-UHFFFAOYSA-N 1 1 294.355 1.538 20 5 CDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000189648202 130003945 /nfs/dbraw/zinc/00/39/45/130003945.db2.gz MORVNOKYPVPVBK-AWEZNQCLSA-N 1 1 280.324 1.832 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191006565 130171108 /nfs/dbraw/zinc/17/11/08/130171108.db2.gz HEUAUMIWMQIYGV-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412045645 391824365 /nfs/dbraw/zinc/82/43/65/391824365.db2.gz YRWXYIRJMXPNLV-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412045645 391824367 /nfs/dbraw/zinc/82/43/67/391824367.db2.gz YRWXYIRJMXPNLV-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000353201101 391901295 /nfs/dbraw/zinc/90/12/95/391901295.db2.gz LNHINCSZDZBLLM-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000353201101 391901299 /nfs/dbraw/zinc/90/12/99/391901299.db2.gz LNHINCSZDZBLLM-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO CC(C)OCCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267119413 392141815 /nfs/dbraw/zinc/14/18/15/392141815.db2.gz ZSAZTDNJIBJOMY-UHFFFAOYSA-N 1 1 270.333 1.538 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715980 392722137 /nfs/dbraw/zinc/72/21/37/392722137.db2.gz IYTDUXOKXLKQFS-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715980 392722142 /nfs/dbraw/zinc/72/21/42/392722142.db2.gz IYTDUXOKXLKQFS-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521773794 392868383 /nfs/dbraw/zinc/86/83/83/392868383.db2.gz HQYWFKMOWQYUCT-JTQLQIEISA-N 1 1 292.339 1.147 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268520267 132021047 /nfs/dbraw/zinc/02/10/47/132021047.db2.gz UZAAOSHYWLSBMY-PWSUYJOCSA-N 1 1 294.355 1.819 20 5 CDBDMO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369358723 392955694 /nfs/dbraw/zinc/95/56/94/392955694.db2.gz OLDGFTBFVUQQBK-MPBGBICISA-N 1 1 296.392 1.980 20 5 CDBDMO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000369358723 392955698 /nfs/dbraw/zinc/95/56/98/392955698.db2.gz OLDGFTBFVUQQBK-MPBGBICISA-N 1 1 296.392 1.980 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000430210179 393093795 /nfs/dbraw/zinc/09/37/95/393093795.db2.gz CPXBIYRSINNROB-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780603 393120007 /nfs/dbraw/zinc/12/00/07/393120007.db2.gz XNNNBWHZONIISF-CMPLNLGQSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780603 393120011 /nfs/dbraw/zinc/12/00/11/393120011.db2.gz XNNNBWHZONIISF-CMPLNLGQSA-N 1 1 280.328 1.429 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000176246550 148032276 /nfs/dbraw/zinc/03/22/76/148032276.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 1 1 281.360 1.065 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000176246550 148032281 /nfs/dbraw/zinc/03/22/81/148032281.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 1 1 281.360 1.065 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000344008272 152386640 /nfs/dbraw/zinc/38/66/40/152386640.db2.gz AMERUHZZVRDUER-NILFDRSVSA-N 1 1 292.335 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412104860 292296473 /nfs/dbraw/zinc/29/64/73/292296473.db2.gz OHKUOVSQQIKPEC-YWPYICTPSA-N 1 1 294.351 1.639 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220501 154070132 /nfs/dbraw/zinc/07/01/32/154070132.db2.gz UAUIACWQJBHJLL-GFCCVEGCSA-N 1 1 285.731 1.727 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000349878281 154253757 /nfs/dbraw/zinc/25/37/57/154253757.db2.gz VQJJXICXZXLEFH-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352193789 155011123 /nfs/dbraw/zinc/01/11/23/155011123.db2.gz GAEWGAIOILLZKN-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352202619 155019098 /nfs/dbraw/zinc/01/90/98/155019098.db2.gz KZZSEHZZYMIKBO-LLVKDONJSA-N 1 1 252.314 1.840 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000359599354 158304594 /nfs/dbraw/zinc/30/45/94/158304594.db2.gz LNHFOWPVQQQRNP-CQSZACIVSA-N 1 1 296.323 1.187 20 5 CDBDMO C[N@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285389966 196270292 /nfs/dbraw/zinc/27/02/92/196270292.db2.gz AGOILLKWSMHUHZ-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285389966 196270294 /nfs/dbraw/zinc/27/02/94/196270294.db2.gz AGOILLKWSMHUHZ-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO Cc1ccc(CNC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000038087577 174099522 /nfs/dbraw/zinc/09/95/22/174099522.db2.gz WGGJPUKUMMFLLA-LLVKDONJSA-N 1 1 251.330 1.943 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132540493 277050110 /nfs/dbraw/zinc/05/01/10/277050110.db2.gz PNNNIORFOIKTQP-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000295267802 278863167 /nfs/dbraw/zinc/86/31/67/278863167.db2.gz RVHOLBWXHLNMPS-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO CC[N@@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000089305544 279054614 /nfs/dbraw/zinc/05/46/14/279054614.db2.gz JMOVCUPBTHKSPM-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090553971 279279301 /nfs/dbraw/zinc/27/93/01/279279301.db2.gz MGWGTKIHOWGRNU-SNVBAGLBSA-N 1 1 253.302 1.487 20 5 CDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759070 280020897 /nfs/dbraw/zinc/02/08/97/280020897.db2.gz KBPUEAUDWHSBTN-GMXVVIOVSA-N 1 1 291.355 1.551 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000557920202 290373369 /nfs/dbraw/zinc/37/33/69/290373369.db2.gz RWZVMTLUURTFJJ-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000557920202 290373372 /nfs/dbraw/zinc/37/33/72/290373372.db2.gz RWZVMTLUURTFJJ-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000575746000 317006585 /nfs/dbraw/zinc/00/65/85/317006585.db2.gz QTDGRVXVMMAGCH-NWDGAFQWSA-N 1 1 294.355 1.719 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577002855 317248166 /nfs/dbraw/zinc/24/81/66/317248166.db2.gz KLCBWMSHSPETLJ-GFCCVEGCSA-N 1 1 287.323 1.713 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130501 323383245 /nfs/dbraw/zinc/38/32/45/323383245.db2.gz PJEKVZPDGHATNH-SNVBAGLBSA-N 1 1 297.330 1.905 20 5 CDBDMO C[N@@H+](CC[C@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603692 482490997 /nfs/dbraw/zinc/49/09/97/482490997.db2.gz LZURKTDEQVWYCA-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211004 534285592 /nfs/dbraw/zinc/28/55/92/534285592.db2.gz UQWBUFKBMFAJNQ-MFKMUULPSA-N 1 1 282.340 1.719 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000049399806 519610961 /nfs/dbraw/zinc/61/09/61/519610961.db2.gz VPEGWRUOBSKKDM-UHFFFAOYSA-N 1 1 265.313 1.551 20 5 CDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423359 519613837 /nfs/dbraw/zinc/61/38/37/519613837.db2.gz URRHVYOZLMGOPO-AWEZNQCLSA-N 1 1 291.351 1.895 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000161409935 521671324 /nfs/dbraw/zinc/67/13/24/521671324.db2.gz QHVDZVOTOXHFLH-UHFFFAOYSA-N 1 1 292.339 1.414 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000051856822 522945599 /nfs/dbraw/zinc/94/55/99/522945599.db2.gz VJBILPGIXSONET-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000051856822 522945608 /nfs/dbraw/zinc/94/56/08/522945608.db2.gz VJBILPGIXSONET-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247077058 525773087 /nfs/dbraw/zinc/77/30/87/525773087.db2.gz GUWJGRATUCMPAO-STQMWFEESA-N 1 1 293.367 1.482 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305425851 535323358 /nfs/dbraw/zinc/32/33/58/535323358.db2.gz BMVUWOZWUINWOU-SNVBAGLBSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000738081507 574587947 /nfs/dbraw/zinc/58/79/47/574587947.db2.gz LJFDZWKBMVYIGK-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241269 576591411 /nfs/dbraw/zinc/59/14/11/576591411.db2.gz UEPDYEBIICAIGH-LLVKDONJSA-N 1 1 277.324 1.809 20 5 CDBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@H](C)C1 ZINC000891829648 617624649 /nfs/dbraw/zinc/62/46/49/617624649.db2.gz HCQKNIAOFIKZBL-QWRGUYRKSA-N 1 1 281.360 1.861 20 5 CDBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591226 617688383 /nfs/dbraw/zinc/68/83/83/617688383.db2.gz HTZOENVAZMZTLF-QWHCGFSZSA-N 1 1 266.297 1.349 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000893099083 618166946 /nfs/dbraw/zinc/16/69/46/618166946.db2.gz HOFWSFKGSPLDER-UHFFFAOYSA-N 1 1 289.295 1.805 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000893939184 618201360 /nfs/dbraw/zinc/20/13/60/618201360.db2.gz IHHGWIVJCFCMSI-QWRGUYRKSA-N 1 1 287.323 1.383 20 5 CDBDMO CC[C@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841072747 618681687 /nfs/dbraw/zinc/68/16/87/618681687.db2.gz SKDWMDYWYNRPLG-LBPRGKRZSA-N 1 1 292.383 1.891 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895328483 619565871 /nfs/dbraw/zinc/56/58/71/619565871.db2.gz GNBIGCOIPBLBQE-AVXNYWLKSA-N 1 1 292.335 1.426 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)c1C ZINC000897169571 620402309 /nfs/dbraw/zinc/40/23/09/620402309.db2.gz DZVZVHYIGFXYEE-UHFFFAOYSA-N 1 1 277.324 1.647 20 5 CDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000899873989 622500508 /nfs/dbraw/zinc/50/05/08/622500508.db2.gz XAIXMSPGGFDYNE-TZMCWYRMSA-N 1 1 263.341 1.688 20 5 CDBDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000899873989 622500514 /nfs/dbraw/zinc/50/05/14/622500514.db2.gz XAIXMSPGGFDYNE-TZMCWYRMSA-N 1 1 263.341 1.688 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902995974 625757787 /nfs/dbraw/zinc/75/77/87/625757787.db2.gz QAAVDLZZJXYGHL-NEPJUHHUSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902995974 625757793 /nfs/dbraw/zinc/75/77/93/625757793.db2.gz QAAVDLZZJXYGHL-NEPJUHHUSA-N 1 1 298.314 1.768 20 5 CDBDMO Cc1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905066491 626613887 /nfs/dbraw/zinc/61/38/87/626613887.db2.gz SAUMNQIEOAKHNE-ZDUSSCGKSA-N 1 1 251.330 1.464 20 5 CDBDMO Cc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)cc1 ZINC000905073525 626617716 /nfs/dbraw/zinc/61/77/16/626617716.db2.gz DENMSIVVUJNGMB-OAHLLOKOSA-N 1 1 277.368 1.998 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000905201417 626688683 /nfs/dbraw/zinc/68/86/83/626688683.db2.gz IXOLECXCZNIEOT-LLVKDONJSA-N 1 1 254.261 1.906 20 5 CDBDMO CC(C)(CCC(=O)NCC[N@H+]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000890068944 633247529 /nfs/dbraw/zinc/24/75/29/633247529.db2.gz LMHJEXRFDKBIQU-UHFFFAOYSA-N 1 1 285.388 1.670 20 5 CDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001753048682 1185018204 /nfs/dbraw/zinc/01/82/04/1185018204.db2.gz BIZJIDXNBQLZFI-VXGBXAGGSA-N 1 1 283.372 1.136 20 5 CDBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001753048682 1185018208 /nfs/dbraw/zinc/01/82/08/1185018208.db2.gz BIZJIDXNBQLZFI-VXGBXAGGSA-N 1 1 283.372 1.136 20 5 CDBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001753048682 1185018214 /nfs/dbraw/zinc/01/82/14/1185018214.db2.gz BIZJIDXNBQLZFI-VXGBXAGGSA-N 1 1 283.372 1.136 20 5 CDBDMO CC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001753150118 1185086935 /nfs/dbraw/zinc/08/69/35/1185086935.db2.gz DCMZCPFJCNYAIS-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001753150118 1185086938 /nfs/dbraw/zinc/08/69/38/1185086938.db2.gz DCMZCPFJCNYAIS-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO COC(=O)[C@@]1(C)C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000872634968 1165459971 /nfs/dbraw/zinc/45/99/71/1165459971.db2.gz GDEFSGIVJWRPQA-ZANVPECISA-N 1 1 296.327 1.188 20 5 CDBDMO COC(=O)[C@@]1(C)C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000872634968 1165459978 /nfs/dbraw/zinc/45/99/78/1165459978.db2.gz GDEFSGIVJWRPQA-ZANVPECISA-N 1 1 296.327 1.188 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000877592058 1166063842 /nfs/dbraw/zinc/06/38/42/1166063842.db2.gz KRQHCYIZIVQFKQ-WFASDCNBSA-N 1 1 294.351 1.387 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000879964968 1166433313 /nfs/dbraw/zinc/43/33/13/1166433313.db2.gz UTNWGJYCBAFPBN-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000879964968 1166433319 /nfs/dbraw/zinc/43/33/19/1166433319.db2.gz UTNWGJYCBAFPBN-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233857120 913087979 /nfs/dbraw/zinc/08/79/79/913087979.db2.gz JXSNKPSULGRXOF-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001167351434 895409708 /nfs/dbraw/zinc/40/97/08/895409708.db2.gz SOBUHTBIRWNNSR-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO C[C@H](O)C[N@@H+](CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311932027 899108779 /nfs/dbraw/zinc/10/87/79/899108779.db2.gz WBNCMEXXYGPDLJ-VIFPVBQESA-N 1 1 288.731 1.423 20 5 CDBDMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025640966 899118472 /nfs/dbraw/zinc/11/84/72/899118472.db2.gz USUQYLBFYDYPRY-WDNDVIMCSA-N 1 1 275.308 1.161 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)Cn1nccc1[N+](=O)[O-] ZINC000162797993 900241413 /nfs/dbraw/zinc/24/14/13/900241413.db2.gz RCBNAIWKTVQXIE-UHFFFAOYSA-N 1 1 278.316 1.276 20 5 CDBDMO Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932166 909885860 /nfs/dbraw/zinc/88/58/60/909885860.db2.gz KEFCAKLBNKHXSK-CHWSQXEVSA-N 1 1 295.314 1.005 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224816921 910949333 /nfs/dbraw/zinc/94/93/33/910949333.db2.gz CFYLFNIUZPROBL-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO C[NH+](C)[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469757 911967062 /nfs/dbraw/zinc/96/70/62/911967062.db2.gz WOMQGBJNHQACBK-GJZGRUSLSA-N 1 1 293.367 1.558 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1O ZINC000253290538 919464532 /nfs/dbraw/zinc/46/45/32/919464532.db2.gz PWBRBHIHGUBREJ-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1O ZINC000253290538 919464545 /nfs/dbraw/zinc/46/45/45/919464545.db2.gz PWBRBHIHGUBREJ-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832718741 936593546 /nfs/dbraw/zinc/59/35/46/936593546.db2.gz VJBMVXZCTUIOSA-SWHYSGLUSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840963649 936969878 /nfs/dbraw/zinc/96/98/78/936969878.db2.gz CGWFCVZOLMMNAW-UHFFFAOYSA-N 1 1 284.337 1.262 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3ccnc3C2)C1 ZINC001169010086 927613961 /nfs/dbraw/zinc/61/39/61/927613961.db2.gz ATVOYGJUGYPCDU-GHMZBOCLSA-N 1 1 250.302 1.144 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3ccnc3C2)C1 ZINC001169010086 927613968 /nfs/dbraw/zinc/61/39/68/927613968.db2.gz ATVOYGJUGYPCDU-GHMZBOCLSA-N 1 1 250.302 1.144 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011299 927616258 /nfs/dbraw/zinc/61/62/58/927616258.db2.gz JOOZYANFTGECEY-FIQHERPVSA-N 1 1 260.309 1.227 20 5 CDBDMO COC(=O)N1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169014436 927620341 /nfs/dbraw/zinc/62/03/41/927620341.db2.gz ZPLTVBCLVLSWQA-RYUDHWBXSA-N 1 1 285.344 1.206 20 5 CDBDMO CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169029095 927634691 /nfs/dbraw/zinc/63/46/91/927634691.db2.gz UGTUMJIHCIWKSY-OCCSQVGLSA-N 1 1 269.389 1.848 20 5 CDBDMO CO[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033020 927638513 /nfs/dbraw/zinc/63/85/13/927638513.db2.gz BCNUPRDGEYWLDI-FRRDWIJNSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCOC3)C1 ZINC001169040041 927654228 /nfs/dbraw/zinc/65/42/28/927654228.db2.gz XEFYPJLVPKCIRC-UPJWGTAASA-N 1 1 254.330 1.687 20 5 CDBDMO CC(C)(O)CC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042813 927656921 /nfs/dbraw/zinc/65/69/21/927656921.db2.gz GALPFZQHVHJFSQ-UONOGXRCSA-N 1 1 299.415 1.210 20 5 CDBDMO Cn1ncc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169043815 927657726 /nfs/dbraw/zinc/65/77/26/927657726.db2.gz HVZAVBKJWSGWON-CMPLNLGQSA-N 1 1 264.329 1.224 20 5 CDBDMO CN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cccnc21 ZINC001169026223 927666684 /nfs/dbraw/zinc/66/66/84/927666684.db2.gz WADQZAOOLASDJI-JSGCOSHPSA-N 1 1 290.367 1.779 20 5 CDBDMO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050439 927669401 /nfs/dbraw/zinc/66/94/01/927669401.db2.gz ZQXIUBXMBVJFSL-CMPLNLGQSA-N 1 1 270.329 1.459 20 5 CDBDMO CCN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057488 927676008 /nfs/dbraw/zinc/67/60/08/927676008.db2.gz VZTRSEFLKMPLAR-AGIUHOORSA-N 1 1 255.362 1.458 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581658 927758364 /nfs/dbraw/zinc/75/83/64/927758364.db2.gz GJOLQPJYKNYNRG-AWEZNQCLSA-N 1 1 296.367 1.969 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702881 927849433 /nfs/dbraw/zinc/84/94/33/927849433.db2.gz KHXFAXXLPSCICN-BYCMXARLSA-N 1 1 294.351 1.579 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856358666 928584806 /nfs/dbraw/zinc/58/48/06/928584806.db2.gz SOWHOXBSQBGMPM-MGPQQGTHSA-N 1 1 289.335 1.042 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001156648521 928878497 /nfs/dbraw/zinc/87/84/97/928878497.db2.gz QRBGREIDATXFMS-MRVPVSSYSA-N 1 1 256.693 1.707 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000785517241 929152369 /nfs/dbraw/zinc/15/23/69/929152369.db2.gz JBKXWJYFZVVUKV-HONMWMINSA-N 1 1 280.324 1.331 20 5 CDBDMO CN(CCOCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863652750 929585024 /nfs/dbraw/zinc/58/50/24/929585024.db2.gz UGQYHSPQPPOJFL-UHFFFAOYSA-N 1 1 287.747 1.655 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880296750 929646474 /nfs/dbraw/zinc/64/64/74/929646474.db2.gz FYXKSMBIGBXXRW-ZWNOBZJWSA-N 1 1 268.288 1.920 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000815272745 929971880 /nfs/dbraw/zinc/97/18/80/929971880.db2.gz VWKZREXMNVFYDU-DOMZBBRYSA-N 1 1 294.351 1.723 20 5 CDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(CN)CCCCC1 ZINC000883453906 930208814 /nfs/dbraw/zinc/20/88/14/930208814.db2.gz JLMZSWANQCCTSB-UHFFFAOYSA-N 1 1 281.360 1.385 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(CN)CCCCC1 ZINC000883453906 930208821 /nfs/dbraw/zinc/20/88/21/930208821.db2.gz JLMZSWANQCCTSB-UHFFFAOYSA-N 1 1 281.360 1.385 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000817131707 930441970 /nfs/dbraw/zinc/44/19/70/930441970.db2.gz LRDZPLSYHRLXDY-VIFPVBQESA-N 1 1 291.311 1.661 20 5 CDBDMO Cc1nn(CN(C)C[C@@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000817374663 930514106 /nfs/dbraw/zinc/51/41/06/930514106.db2.gz UOCVNDOXMMZWKG-LBPRGKRZSA-N 1 1 281.360 1.392 20 5 CDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059955 930751485 /nfs/dbraw/zinc/75/14/85/930751485.db2.gz JGFAEQPIMGZECP-FZMZJTMJSA-N 1 1 281.356 1.558 20 5 CDBDMO COC(=O)CC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC001116354558 937443016 /nfs/dbraw/zinc/44/30/16/937443016.db2.gz JYQIHDQSIBXCNH-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO CCOCCO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080169 930799862 /nfs/dbraw/zinc/79/98/62/930799862.db2.gz ARLDMALGFZOBAM-ZDUSSCGKSA-N 1 1 295.339 1.617 20 5 CDBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080169 930799869 /nfs/dbraw/zinc/79/98/69/930799869.db2.gz ARLDMALGFZOBAM-ZDUSSCGKSA-N 1 1 295.339 1.617 20 5 CDBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086712 930801190 /nfs/dbraw/zinc/80/11/90/930801190.db2.gz LXBMEDDHHRDMCI-LBPRGKRZSA-N 1 1 287.323 1.713 20 5 CDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886277624 930847700 /nfs/dbraw/zinc/84/77/00/930847700.db2.gz WVYMVFYUKXENLI-YPMHNXCESA-N 1 1 279.340 1.973 20 5 CDBDMO C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891605 932160580 /nfs/dbraw/zinc/16/05/80/932160580.db2.gz YNZZHTVUYLZLCT-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO CN1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891605 932160585 /nfs/dbraw/zinc/16/05/85/932160585.db2.gz YNZZHTVUYLZLCT-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO CN1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891605 932160588 /nfs/dbraw/zinc/16/05/88/932160588.db2.gz YNZZHTVUYLZLCT-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO Cc1ccc(C(=O)NC2CC[NH+](CC[N+](=O)[O-])CC2)s1 ZINC000929922194 933286953 /nfs/dbraw/zinc/28/69/53/933286953.db2.gz DQYKKAKSERPNIT-UHFFFAOYSA-N 1 1 297.380 1.527 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000929978051 933294175 /nfs/dbraw/zinc/29/41/75/933294175.db2.gz NNHFPWJCYIZJRF-AWEZNQCLSA-N 1 1 264.325 1.635 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000930511589 933390055 /nfs/dbraw/zinc/39/00/55/933390055.db2.gz KXHDVNQYMNDMEM-CYBMUJFWSA-N 1 1 261.325 1.400 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000933171387 933792323 /nfs/dbraw/zinc/79/23/23/933792323.db2.gz SYEMDJRWPONNMU-GHMZBOCLSA-N 1 1 296.327 1.065 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001119810275 937757233 /nfs/dbraw/zinc/75/72/33/937757233.db2.gz MPVHJDWFFLPXTL-LBPRGKRZSA-N 1 1 254.261 1.556 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001119810275 937757235 /nfs/dbraw/zinc/75/72/35/937757235.db2.gz MPVHJDWFFLPXTL-LBPRGKRZSA-N 1 1 254.261 1.556 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826534 937839441 /nfs/dbraw/zinc/83/94/41/937839441.db2.gz ANMDZXXZNRMQFO-PWSUYJOCSA-N 1 1 291.355 1.493 20 5 CDBDMO COc1cc(C)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156580864 938388328 /nfs/dbraw/zinc/38/83/28/938388328.db2.gz XXQMLTRFESSTTA-VIFPVBQESA-N 1 1 266.301 1.423 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156580928 938389120 /nfs/dbraw/zinc/38/91/20/938389120.db2.gz MNPAIUSEAFQASE-JTQLQIEISA-N 1 1 250.302 1.723 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001156980502 938443121 /nfs/dbraw/zinc/44/31/21/938443121.db2.gz JNFMHCOBPVDSLY-UHFFFAOYSA-N 1 1 274.284 1.470 20 5 CDBDMO Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767793 938542778 /nfs/dbraw/zinc/54/27/78/938542778.db2.gz UWZZOGYOTUGGOY-ZIAGYGMSSA-N 1 1 291.351 1.256 20 5 CDBDMO C[N@@H+]1CCc2c(NC3(C(N)=O)CC3)ccc([N+](=O)[O-])c2C1 ZINC001162550075 939084582 /nfs/dbraw/zinc/08/45/82/939084582.db2.gz XCWAWQZWOMCQER-UHFFFAOYSA-N 1 1 290.323 1.013 20 5 CDBDMO C[N@H+]1CCc2c(NC3(C(N)=O)CC3)ccc([N+](=O)[O-])c2C1 ZINC001162550075 939084589 /nfs/dbraw/zinc/08/45/89/939084589.db2.gz XCWAWQZWOMCQER-UHFFFAOYSA-N 1 1 290.323 1.013 20 5 CDBDMO COc1cc(COC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223395141 941675138 /nfs/dbraw/zinc/67/51/38/941675138.db2.gz BQLPZRUNIJDHLS-CQSZACIVSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cc(COC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223395141 941675140 /nfs/dbraw/zinc/67/51/40/941675140.db2.gz BQLPZRUNIJDHLS-CQSZACIVSA-N 1 1 296.323 1.451 20 5 CDBDMO C[N@H+]1CC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223485501 941681343 /nfs/dbraw/zinc/68/13/43/941681343.db2.gz FUQOAWMWOGGVRK-GFCCVEGCSA-N 1 1 281.268 1.724 20 5 CDBDMO Cc1cc(O[C@@H]2CCc3[nH+]ccn3C2)ncc1[N+](=O)[O-] ZINC001225658676 941895350 /nfs/dbraw/zinc/89/53/50/941895350.db2.gz JMQDCSANYWJAHZ-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)CC1 ZINC001227692771 942205724 /nfs/dbraw/zinc/20/57/24/942205724.db2.gz CNSJMLJBGLEDSX-VIFPVBQESA-N 1 1 291.311 1.729 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879952 942387575 /nfs/dbraw/zinc/38/75/75/942387575.db2.gz MWJLWKTUCFSWIF-SNVBAGLBSA-N 1 1 251.286 1.851 20 5 CDBDMO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001261183642 945990805 /nfs/dbraw/zinc/99/08/05/945990805.db2.gz VYYVUDNCIRKMKY-UHFFFAOYSA-N 1 1 275.312 1.592 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ncccn1)C2 ZINC001254567901 947528844 /nfs/dbraw/zinc/52/88/44/947528844.db2.gz QPNABEDWBQBTRR-LBPRGKRZSA-N 1 1 270.292 1.642 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246345402 948120879 /nfs/dbraw/zinc/12/08/79/948120879.db2.gz ANGJIZLUZGFDLS-CHWSQXEVSA-N 1 1 261.325 1.404 20 5 CDBDMO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCNC2)c([N+](=O)[O-])c1 ZINC001246359734 948130136 /nfs/dbraw/zinc/13/01/36/948130136.db2.gz VVQFIRUSHNOWQL-WCQYABFASA-N 1 1 293.367 1.876 20 5 CDBDMO [NH3+][C@]12CC[C@H]1CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859296 948484831 /nfs/dbraw/zinc/48/48/31/948484831.db2.gz JIMOVCDLYLWLNP-CFVMTHIKSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859296 948484834 /nfs/dbraw/zinc/48/48/34/948484834.db2.gz JIMOVCDLYLWLNP-CFVMTHIKSA-N 1 1 273.336 1.485 20 5 CDBDMO N[C@]12CC[C@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001246859296 948484836 /nfs/dbraw/zinc/48/48/36/948484836.db2.gz JIMOVCDLYLWLNP-CFVMTHIKSA-N 1 1 273.336 1.485 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780100 956439634 /nfs/dbraw/zinc/43/96/34/956439634.db2.gz DNWFKRJTLQZSGM-ZYHUDNBSSA-N 1 1 268.317 1.148 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001330933453 956710737 /nfs/dbraw/zinc/71/07/37/956710737.db2.gz DJDWYJXFXQFCAW-IINYFYTJSA-N 1 1 295.314 1.587 20 5 CDBDMO Cc1nn(C[N@@H+](C)CCCF)c2ncc([N+](=O)[O-])cc12 ZINC001331061260 956795677 /nfs/dbraw/zinc/79/56/77/956795677.db2.gz HXRUHZXXWSCJFO-UHFFFAOYSA-N 1 1 281.291 1.897 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336490824 960365172 /nfs/dbraw/zinc/36/51/72/960365172.db2.gz IJBQGROLPAKHBE-SNVBAGLBSA-N 1 1 279.344 1.714 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001324173990 961211152 /nfs/dbraw/zinc/21/11/52/961211152.db2.gz NCUSNNWLIAURKZ-UHFFFAOYSA-N 1 1 263.257 1.289 20 5 CDBDMO C[C@H](O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092356 967025768 /nfs/dbraw/zinc/02/57/68/967025768.db2.gz DPIBLAOQGUVLHU-IINYFYTJSA-N 1 1 280.324 1.473 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3nc(C)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692596 1162289682 /nfs/dbraw/zinc/28/96/82/1162289682.db2.gz XDBRJCJLHRDTBI-TXEJJXNPSA-N 1 1 291.355 1.471 20 5 CDBDMO CC(C)(CO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601132163 342474815 /nfs/dbraw/zinc/47/48/15/342474815.db2.gz XESLNCNQMCBESH-UHFFFAOYSA-N 1 1 275.308 1.995 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000587973713 342487563 /nfs/dbraw/zinc/48/75/63/342487563.db2.gz WXLSANNRWJBTQA-JTQLQIEISA-N 1 1 292.339 1.447 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192634 342488501 /nfs/dbraw/zinc/48/85/01/342488501.db2.gz XXHRBYJXPJMGQD-SNVBAGLBSA-N 1 1 267.333 1.249 20 5 CDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000600177734 341983352 /nfs/dbraw/zinc/98/33/52/341983352.db2.gz COQZBWISMPDLFV-VOKGJARPSA-N 1 1 292.335 1.691 20 5 CDBDMO C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)N(C)C ZINC000601152964 342483171 /nfs/dbraw/zinc/48/31/71/342483171.db2.gz RUYZEWBXIXJHOJ-VIFPVBQESA-N 1 1 288.307 1.454 20 5 CDBDMO CCOc1cc(-c2nc(C[NH3+])no2)c([N+](=O)[O-])cc1OC ZINC000592357499 342688463 /nfs/dbraw/zinc/68/84/63/342688463.db2.gz BNUDBYCQRNBNIS-UHFFFAOYSA-N 1 1 294.267 1.511 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108801 342769268 /nfs/dbraw/zinc/76/92/68/342769268.db2.gz CMQOSDPQERMYDK-AAEUAGOBSA-N 1 1 298.339 1.037 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000588823562 342222469 /nfs/dbraw/zinc/22/24/69/342222469.db2.gz CPOZATYEGLBASM-ONGXEEELSA-N 1 1 297.359 1.251 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000588823562 342222470 /nfs/dbraw/zinc/22/24/70/342222470.db2.gz CPOZATYEGLBASM-ONGXEEELSA-N 1 1 297.359 1.251 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594601292 342923858 /nfs/dbraw/zinc/92/38/58/342923858.db2.gz NICQIZYANLEYHZ-WDEREUQCSA-N 1 1 279.344 1.757 20 5 CDBDMO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000075061424 342307535 /nfs/dbraw/zinc/30/75/35/342307535.db2.gz VTYDODXOXKOZPZ-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO Nc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000076270158 342320321 /nfs/dbraw/zinc/32/03/21/342320321.db2.gz QOVMGEXCNGYIKW-QMMMGPOBSA-N 1 1 289.299 1.074 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000595458646 343069328 /nfs/dbraw/zinc/06/93/28/343069328.db2.gz LHVJTXXZOGFQTQ-UWVGGRQHSA-N 1 1 286.303 1.298 20 5 CDBDMO Cc1noc(C[N@H+](C)CCCCCO)c1[N+](=O)[O-] ZINC000595469171 343072396 /nfs/dbraw/zinc/07/23/96/343072396.db2.gz VAZVSYOBQBTOLX-UHFFFAOYSA-N 1 1 257.290 1.486 20 5 CDBDMO Cc1noc(C[N@@H+](C)CCCCCO)c1[N+](=O)[O-] ZINC000595469171 343072398 /nfs/dbraw/zinc/07/23/98/343072398.db2.gz VAZVSYOBQBTOLX-UHFFFAOYSA-N 1 1 257.290 1.486 20 5 CDBDMO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595559626 343097915 /nfs/dbraw/zinc/09/79/15/343097915.db2.gz SKDZFXCNQIHNRH-NXEZZACHSA-N 1 1 269.301 1.938 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600992205 342441922 /nfs/dbraw/zinc/44/19/22/342441922.db2.gz SSGWQRQVFMZOPH-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO CNC(=O)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000597249955 343498513 /nfs/dbraw/zinc/49/85/13/343498513.db2.gz OZLKHTKVBZHQKY-XFFZJAGNSA-N 1 1 277.324 1.676 20 5 CDBDMO CNC(=O)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000597249955 343498515 /nfs/dbraw/zinc/49/85/15/343498515.db2.gz OZLKHTKVBZHQKY-XFFZJAGNSA-N 1 1 277.324 1.676 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598618330 343844158 /nfs/dbraw/zinc/84/41/58/343844158.db2.gz WDVHRXPCYNBESV-VIFPVBQESA-N 1 1 281.287 1.431 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(C)COC1 ZINC000599571841 344090816 /nfs/dbraw/zinc/09/08/16/344090816.db2.gz VFNJQPDGQKLIIG-UHFFFAOYSA-N 1 1 290.323 1.939 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(C)COC1 ZINC000599571841 344090818 /nfs/dbraw/zinc/09/08/18/344090818.db2.gz VFNJQPDGQKLIIG-UHFFFAOYSA-N 1 1 290.323 1.939 20 5 CDBDMO CC[C@@]1(C)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602817826 344607827 /nfs/dbraw/zinc/60/78/27/344607827.db2.gz UBHBSUCIIFORKF-ZDUSSCGKSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@@]1(C)C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602817826 344607828 /nfs/dbraw/zinc/60/78/28/344607828.db2.gz UBHBSUCIIFORKF-ZDUSSCGKSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000602839034 344620665 /nfs/dbraw/zinc/62/06/65/344620665.db2.gz FXNXFDGHIJFKLI-NEPJUHHUSA-N 1 1 280.328 1.211 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864182 344637764 /nfs/dbraw/zinc/63/77/64/344637764.db2.gz NDWRGFXUYIFNEL-QWHCGFSZSA-N 1 1 296.371 1.989 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000602864182 344637766 /nfs/dbraw/zinc/63/77/66/344637766.db2.gz NDWRGFXUYIFNEL-QWHCGFSZSA-N 1 1 296.371 1.989 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997556 344683940 /nfs/dbraw/zinc/68/39/40/344683940.db2.gz MONMQLOKTNVKBP-IHRRRGAJSA-N 1 1 294.355 1.417 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)n1 ZINC000602998179 344684195 /nfs/dbraw/zinc/68/41/95/344684195.db2.gz YRWUDUPPCVNPRA-AGIUHOORSA-N 1 1 294.355 1.417 20 5 CDBDMO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000603430546 344803014 /nfs/dbraw/zinc/80/30/14/344803014.db2.gz ADZZMXGRHPYLIQ-STQMWFEESA-N 1 1 279.340 1.689 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000603840365 344837345 /nfs/dbraw/zinc/83/73/45/344837345.db2.gz KEUKHWMSAGVKIE-LBPRGKRZSA-N 1 1 294.355 1.759 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293133881 362532000 /nfs/dbraw/zinc/53/20/00/362532000.db2.gz NBJRBJOZYNHTNN-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000052153365 345232298 /nfs/dbraw/zinc/23/22/98/345232298.db2.gz MBJPRDMUROSPLS-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454913 345544925 /nfs/dbraw/zinc/54/49/25/345544925.db2.gz NFBOEUOKSRIADV-WCQYABFASA-N 1 1 276.340 1.910 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCCO)C1CC1 ZINC000609848157 346006353 /nfs/dbraw/zinc/00/63/53/346006353.db2.gz CZNCVUHSIYJNCO-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1cccnc1[N+](=O)[O-] ZINC000610279285 346242183 /nfs/dbraw/zinc/24/21/83/346242183.db2.gz SYAXPOHTRICWTD-UHFFFAOYSA-N 1 1 261.285 1.997 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1ccccn1 ZINC000610659985 346335208 /nfs/dbraw/zinc/33/52/08/346335208.db2.gz JPDGAAWJYKGBQE-UHFFFAOYSA-N 1 1 289.339 1.669 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccnc1 ZINC000610782867 346409554 /nfs/dbraw/zinc/40/95/54/346409554.db2.gz GZLIJMMIOGYEPF-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@@H]21 ZINC000610808011 346443928 /nfs/dbraw/zinc/44/39/28/346443928.db2.gz OLGILFAOPVFTHQ-YPMHNXCESA-N 1 1 276.340 1.910 20 5 CDBDMO O=[N+]([O-])c1ncccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000614524279 348134865 /nfs/dbraw/zinc/13/48/65/348134865.db2.gz FHYDCSCNDDJQFE-SECBINFHSA-N 1 1 259.269 1.613 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000615496174 348560519 /nfs/dbraw/zinc/56/05/19/348560519.db2.gz IUTOGVPNDPQEKS-NXEZZACHSA-N 1 1 250.302 1.519 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])cn2)n1C ZINC000074276812 349209221 /nfs/dbraw/zinc/20/92/21/349209221.db2.gz OLZUTJBPNWBXKR-UHFFFAOYSA-N 1 1 276.300 1.401 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109849868 186277721 /nfs/dbraw/zinc/27/77/21/186277721.db2.gz DQRLTWKLDXEOOQ-SNVBAGLBSA-N 1 1 263.297 1.276 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767918 350966749 /nfs/dbraw/zinc/96/67/49/350966749.db2.gz RVRQEXIVVPDJSJ-CQSZACIVSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000156888666 351575158 /nfs/dbraw/zinc/57/51/58/351575158.db2.gz RQNHNBMHALADCF-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156888666 351575161 /nfs/dbraw/zinc/57/51/61/351575161.db2.gz RQNHNBMHALADCF-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO Cc1c(C[NH2+]Cc2cnnn2C)cccc1[N+](=O)[O-] ZINC000231884100 140219732 /nfs/dbraw/zinc/21/97/32/140219732.db2.gz CGBRWRODZBQNMV-UHFFFAOYSA-N 1 1 261.285 1.322 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000154609263 188153812 /nfs/dbraw/zinc/15/38/12/188153812.db2.gz KJBJCKHNDAWBRW-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157287497 188308178 /nfs/dbraw/zinc/30/81/78/188308178.db2.gz AUPFISMUPIFCTL-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000358558900 356307156 /nfs/dbraw/zinc/30/71/56/356307156.db2.gz YPKQGFANWIFOBF-UHFFFAOYSA-N 1 1 294.355 1.465 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000247145955 356680575 /nfs/dbraw/zinc/68/05/75/356680575.db2.gz WQPBHQFNHJLMSB-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000247145955 356680578 /nfs/dbraw/zinc/68/05/78/356680578.db2.gz WQPBHQFNHJLMSB-NEPJUHHUSA-N 1 1 294.355 1.190 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379629703 357194105 /nfs/dbraw/zinc/19/41/05/357194105.db2.gz UPNKCNUROKAGJW-WAYWQWQTSA-N 1 1 285.250 1.318 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCSCC1 ZINC000234208288 357324150 /nfs/dbraw/zinc/32/41/50/357324150.db2.gz MIGOAEOBYRFCKP-UHFFFAOYSA-N 1 1 299.400 1.580 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000408067650 357802534 /nfs/dbraw/zinc/80/25/34/357802534.db2.gz DIBKUOCFPOPUFP-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000408067650 357802535 /nfs/dbraw/zinc/80/25/35/357802535.db2.gz DIBKUOCFPOPUFP-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408071756 357810863 /nfs/dbraw/zinc/81/08/63/357810863.db2.gz LIUJXKDSGMRVEU-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408071756 357810864 /nfs/dbraw/zinc/81/08/64/357810864.db2.gz LIUJXKDSGMRVEU-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264667383 357924998 /nfs/dbraw/zinc/92/49/98/357924998.db2.gz KLNBDSBTTGLTPL-UHFFFAOYSA-N 1 1 295.343 1.094 20 5 CDBDMO Cc1cc(NCC[N@H+]2CCCOCC2)ncc1[N+](=O)[O-] ZINC000188491720 357903790 /nfs/dbraw/zinc/90/37/90/357903790.db2.gz ZZLLBZOBSZGLSD-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000193587043 358306352 /nfs/dbraw/zinc/30/63/52/358306352.db2.gz DFKGTMABCGSTCK-UFBFGSQYSA-N 1 1 297.742 1.862 20 5 CDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000109621678 358441465 /nfs/dbraw/zinc/44/14/65/358441465.db2.gz GZAANEKQOQYEJU-UHFFFAOYSA-N 1 1 297.359 1.340 20 5 CDBDMO CNC(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439745 358876475 /nfs/dbraw/zinc/87/64/75/358876475.db2.gz CBBBLRLQXQARHT-UHFFFAOYSA-N 1 1 257.677 1.084 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000106884341 359011879 /nfs/dbraw/zinc/01/18/79/359011879.db2.gz SPRJJRPARZWJLJ-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000571702755 359603406 /nfs/dbraw/zinc/60/34/06/359603406.db2.gz JUFKZNLQFDSHKS-SFYZADRCSA-N 1 1 256.331 1.580 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000571702755 359603412 /nfs/dbraw/zinc/60/34/12/359603412.db2.gz JUFKZNLQFDSHKS-SFYZADRCSA-N 1 1 256.331 1.580 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000289623413 359636400 /nfs/dbraw/zinc/63/64/00/359636400.db2.gz LPAYXGCXRQQWDN-CHWSQXEVSA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000297727792 200269165 /nfs/dbraw/zinc/26/91/65/200269165.db2.gz ZEFKSIUMXRIUEN-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000120096860 360161471 /nfs/dbraw/zinc/16/14/71/360161471.db2.gz LZPUPZGHARKSLX-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177176330 189033954 /nfs/dbraw/zinc/03/39/54/189033954.db2.gz WWXQDJPPHQQPAR-MNOVXSKESA-N 1 1 289.335 1.950 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]C[C@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310163 360337812 /nfs/dbraw/zinc/33/78/12/360337812.db2.gz YZIPYLNCVBQTDV-NEPJUHHUSA-N 1 1 281.356 1.476 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000177440832 189051877 /nfs/dbraw/zinc/05/18/77/189051877.db2.gz GQONRJFWACEFAC-AWEZNQCLSA-N 1 1 278.308 1.980 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000148035635 360630913 /nfs/dbraw/zinc/63/09/13/360630913.db2.gz WYQMGCQUGIFXMT-UHFFFAOYSA-N 1 1 251.286 1.874 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086081 189168141 /nfs/dbraw/zinc/16/81/41/189168141.db2.gz RFCVOWRCFNWOBR-ZLDLUXBVSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H](O)C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289765334 361056685 /nfs/dbraw/zinc/05/66/85/361056685.db2.gz KXEFSERVBVJHDE-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289765334 361056691 /nfs/dbraw/zinc/05/66/91/361056691.db2.gz KXEFSERVBVJHDE-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414841 361191089 /nfs/dbraw/zinc/19/10/89/361191089.db2.gz UTUMTAZIFVZEDQ-VHSXEESVSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000168414841 361191093 /nfs/dbraw/zinc/19/10/93/361191093.db2.gz UTUMTAZIFVZEDQ-VHSXEESVSA-N 1 1 295.295 1.706 20 5 CDBDMO Nc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000367260743 361255231 /nfs/dbraw/zinc/25/52/31/361255231.db2.gz RPQWQQNQODZWIW-LBPRGKRZSA-N 1 1 292.339 1.088 20 5 CDBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000049096728 361459061 /nfs/dbraw/zinc/45/90/61/361459061.db2.gz VAPUDDROGYIMQX-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305236116 239388849 /nfs/dbraw/zinc/38/88/49/239388849.db2.gz XHEGUUQJKPEKTA-WDEREUQCSA-N 1 1 268.317 1.027 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268229373 364532041 /nfs/dbraw/zinc/53/20/41/364532041.db2.gz LFUJDHJQTBZUCP-LBPRGKRZSA-N 1 1 297.742 1.959 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349315 364777746 /nfs/dbraw/zinc/77/77/46/364777746.db2.gz DUCXPBVJBGSQMW-UHFFFAOYSA-N 1 1 291.351 1.820 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000249599886 364971875 /nfs/dbraw/zinc/97/18/75/364971875.db2.gz XVUUAJDKNAPCHY-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000249599886 364971880 /nfs/dbraw/zinc/97/18/80/364971880.db2.gz XVUUAJDKNAPCHY-TVQRCGJNSA-N 1 1 298.314 1.945 20 5 CDBDMO COCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000275444294 193040150 /nfs/dbraw/zinc/04/01/50/193040150.db2.gz KWIMLSQVBKBRKJ-UHFFFAOYSA-N 1 1 286.303 1.565 20 5 CDBDMO COCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000275444294 193040153 /nfs/dbraw/zinc/04/01/53/193040153.db2.gz KWIMLSQVBKBRKJ-UHFFFAOYSA-N 1 1 286.303 1.565 20 5 CDBDMO CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903529 366942442 /nfs/dbraw/zinc/94/24/42/366942442.db2.gz MWOJFFRVXBAKEO-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078775 366966779 /nfs/dbraw/zinc/96/67/79/366966779.db2.gz XVXNZYFMPZGLIO-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000282524229 367928011 /nfs/dbraw/zinc/92/80/11/367928011.db2.gz PTICZNOYCOVWNS-NXEZZACHSA-N 1 1 286.303 1.298 20 5 CDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420385964 244185910 /nfs/dbraw/zinc/18/59/10/244185910.db2.gz HTUSLWPWBPAAGD-UHFFFAOYSA-N 1 1 294.355 1.465 20 5 CDBDMO CC[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](CC)O1 ZINC000420953755 244490126 /nfs/dbraw/zinc/49/01/26/244490126.db2.gz JKJMAZXJPOERLW-CHWSQXEVSA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347397 /nfs/dbraw/zinc/34/73/97/203347397.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347400 /nfs/dbraw/zinc/34/74/00/203347400.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 1 1 279.340 1.312 20 5 CDBDMO CN1CCNC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971842 371128857 /nfs/dbraw/zinc/12/88/57/371128857.db2.gz WXDVRRHDOKNZFC-KXQLTZBTSA-N 1 1 290.367 1.101 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992586 371297140 /nfs/dbraw/zinc/29/71/40/371297140.db2.gz DNKTWYYRIWBADL-NSHDSACASA-N 1 1 263.297 1.292 20 5 CDBDMO Cc1c(CC(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000269603765 373093108 /nfs/dbraw/zinc/09/31/08/373093108.db2.gz IEXFCSWRDLCIDR-UHFFFAOYSA-N 1 1 291.351 1.656 20 5 CDBDMO CCN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000298403959 373516797 /nfs/dbraw/zinc/51/67/97/373516797.db2.gz KDMWBOIBNNIRFC-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO CC(C)NC(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208924 374257147 /nfs/dbraw/zinc/25/71/47/374257147.db2.gz TWULTLVFRJJVJP-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO CC(C)NC(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208924 374257155 /nfs/dbraw/zinc/25/71/55/374257155.db2.gz TWULTLVFRJJVJP-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO CCNC(=O)C[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533047 374274313 /nfs/dbraw/zinc/27/43/13/374274313.db2.gz JQQLGAUMRNPJDO-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533047 374274319 /nfs/dbraw/zinc/27/43/19/374274319.db2.gz JQQLGAUMRNPJDO-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C1 ZINC000114485634 374313122 /nfs/dbraw/zinc/31/31/22/374313122.db2.gz ARJGRMKGDLTPDU-CYBMUJFWSA-N 1 1 280.324 1.949 20 5 CDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000114485634 374313108 /nfs/dbraw/zinc/31/31/08/374313108.db2.gz ARJGRMKGDLTPDU-CYBMUJFWSA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000447840943 374717954 /nfs/dbraw/zinc/71/79/54/374717954.db2.gz VOCINVCSDAOKLO-NEPJUHHUSA-N 1 1 282.344 1.417 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000331376497 374944649 /nfs/dbraw/zinc/94/46/49/374944649.db2.gz HARXMJWMTXGEDM-LLVKDONJSA-N 1 1 289.335 1.809 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226823 374987767 /nfs/dbraw/zinc/98/77/67/374987767.db2.gz JMJGYAJPGSLWNG-DRDHIDPGSA-N 1 1 289.335 1.805 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282333843 375080394 /nfs/dbraw/zinc/08/03/94/375080394.db2.gz LRSNXTYLTHJVJZ-ZDUSSCGKSA-N 1 1 293.323 1.184 20 5 CDBDMO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332735383 375046634 /nfs/dbraw/zinc/04/66/34/375046634.db2.gz UUKSQWKNDJFMGF-AWEZNQCLSA-N 1 1 278.308 1.293 20 5 CDBDMO CC(=O)[C@@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332735383 375046637 /nfs/dbraw/zinc/04/66/37/375046637.db2.gz UUKSQWKNDJFMGF-AWEZNQCLSA-N 1 1 278.308 1.293 20 5 CDBDMO CC[NH+](CC)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332733486 375047117 /nfs/dbraw/zinc/04/71/17/375047117.db2.gz WTPLWNHKJIBLOX-JTQLQIEISA-N 1 1 295.343 1.183 20 5 CDBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299517433 375177488 /nfs/dbraw/zinc/17/74/88/375177488.db2.gz PNYZVIOFFJHCOH-LLVKDONJSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299517433 375177498 /nfs/dbraw/zinc/17/74/98/375177498.db2.gz PNYZVIOFFJHCOH-LLVKDONJSA-N 1 1 263.297 1.936 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351477535 375301027 /nfs/dbraw/zinc/30/10/27/375301027.db2.gz NLTDELJABWIZAK-BYCMXARLSA-N 1 1 291.351 1.643 20 5 CDBDMO CN(C)C(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000162471326 375364356 /nfs/dbraw/zinc/36/43/56/375364356.db2.gz NSIDVIXWNKPJBE-SOFGYWHQSA-N 1 1 277.324 1.628 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000162471326 375364361 /nfs/dbraw/zinc/36/43/61/375364361.db2.gz NSIDVIXWNKPJBE-SOFGYWHQSA-N 1 1 277.324 1.628 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352668938 375527440 /nfs/dbraw/zinc/52/74/40/375527440.db2.gz WADMJQSABOGDJE-AAEUAGOBSA-N 1 1 293.323 1.039 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162820 375563004 /nfs/dbraw/zinc/56/30/04/375563004.db2.gz XLIPCNMVONFRTM-AAEUAGOBSA-N 1 1 281.356 1.476 20 5 CDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000305193705 375568288 /nfs/dbraw/zinc/56/82/88/375568288.db2.gz DHNMZJKKMRTHJD-GHMZBOCLSA-N 1 1 268.317 1.027 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345008481 375711970 /nfs/dbraw/zinc/71/19/70/375711970.db2.gz ZHUIVVCBQSTPFG-JTQLQIEISA-N 1 1 280.328 1.147 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000058923963 375841589 /nfs/dbraw/zinc/84/15/89/375841589.db2.gz IZVXUWUMEGGIGZ-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000267054392 376627486 /nfs/dbraw/zinc/62/74/86/376627486.db2.gz RILPVUXVDNDGJJ-AWEZNQCLSA-N 1 1 290.323 1.457 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000296667981 376689116 /nfs/dbraw/zinc/68/91/16/376689116.db2.gz ZAWOXUSHDWDIAZ-GHMZBOCLSA-N 1 1 277.328 1.732 20 5 CDBDMO CCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000435614088 248177544 /nfs/dbraw/zinc/17/75/44/248177544.db2.gz LWOSWKYYZKZGQY-LBPRGKRZSA-N 1 1 281.360 1.255 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC000267078338 376997188 /nfs/dbraw/zinc/99/71/88/376997188.db2.gz XHSZXVBQXCRZHX-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(F)c1 ZINC000267078338 376997196 /nfs/dbraw/zinc/99/71/96/376997196.db2.gz XHSZXVBQXCRZHX-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000042109299 379536725 /nfs/dbraw/zinc/53/67/25/379536725.db2.gz BHHVHJLQXKGLIS-UHFFFAOYSA-N 1 1 272.308 1.895 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333275 251227902 /nfs/dbraw/zinc/22/79/02/251227902.db2.gz GGLWWGWPAHSCIW-LLVKDONJSA-N 1 1 277.328 1.366 20 5 CDBDMO Cc1nc(N[C@H]2CCC[N@@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435725 251282054 /nfs/dbraw/zinc/28/20/54/251282054.db2.gz IDSXQOUFLKRVNY-UWVGGRQHSA-N 1 1 265.317 1.588 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450599531 251359701 /nfs/dbraw/zinc/35/97/01/251359701.db2.gz SLYBAFNIGMGUGB-NSHDSACASA-N 1 1 297.330 1.993 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288187405 197022631 /nfs/dbraw/zinc/02/26/31/197022631.db2.gz BGZIKDJSHUOABD-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288187405 197022632 /nfs/dbraw/zinc/02/26/32/197022632.db2.gz BGZIKDJSHUOABD-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357821 390198829 /nfs/dbraw/zinc/19/88/29/390198829.db2.gz XZNQHFKVUSVPMA-CKYFFXLPSA-N 1 1 277.324 1.709 20 5 CDBDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959215 390583013 /nfs/dbraw/zinc/58/30/13/390583013.db2.gz XVZXISVOUFHXPP-LLVKDONJSA-N 1 1 279.344 1.612 20 5 CDBDMO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1COC1 ZINC000451281590 390609980 /nfs/dbraw/zinc/60/99/80/390609980.db2.gz BJYPBQHDFGGHFS-UHFFFAOYSA-N 1 1 296.323 1.703 20 5 CDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1COC1 ZINC000451281590 390609983 /nfs/dbraw/zinc/60/99/83/390609983.db2.gz BJYPBQHDFGGHFS-UHFFFAOYSA-N 1 1 296.323 1.703 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413213841 391178744 /nfs/dbraw/zinc/17/87/44/391178744.db2.gz TXTOFYIXALOZPP-SECBINFHSA-N 1 1 291.286 1.856 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1(C)C ZINC000489488192 391225109 /nfs/dbraw/zinc/22/51/09/391225109.db2.gz UEFXFQUXSKMKHX-LLVKDONJSA-N 1 1 265.313 1.487 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000341875181 130101437 /nfs/dbraw/zinc/10/14/37/130101437.db2.gz JIMSWXFKZKXBHO-ZYHUDNBSSA-N 1 1 277.324 1.409 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200008 391906415 /nfs/dbraw/zinc/90/64/15/391906415.db2.gz HITOJMFGEWNVMN-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000355198255 391929881 /nfs/dbraw/zinc/92/98/81/391929881.db2.gz NJPOSSLTHNOIMW-DIECRNLCSA-N 1 1 275.308 1.428 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000355198255 391929892 /nfs/dbraw/zinc/92/98/92/391929892.db2.gz NJPOSSLTHNOIMW-DIECRNLCSA-N 1 1 275.308 1.428 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113702 392141996 /nfs/dbraw/zinc/14/19/96/392141996.db2.gz YGZIFSPWSXPISH-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113702 392141997 /nfs/dbraw/zinc/14/19/97/392141997.db2.gz YGZIFSPWSXPISH-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113703 392143660 /nfs/dbraw/zinc/14/36/60/392143660.db2.gz YGZIFSPWSXPISH-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267113703 392143668 /nfs/dbraw/zinc/14/36/68/392143668.db2.gz YGZIFSPWSXPISH-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726438 392721780 /nfs/dbraw/zinc/72/17/80/392721780.db2.gz FXFUMZGCHWSFFL-UWVGGRQHSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726438 392721788 /nfs/dbraw/zinc/72/17/88/392721788.db2.gz FXFUMZGCHWSFFL-UWVGGRQHSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)[C@H]1C ZINC000419369103 392891056 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CC(C)[C@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123636 393107097 /nfs/dbraw/zinc/10/70/97/393107097.db2.gz ZJXDYFABZCFQHZ-CHWSQXEVSA-N 1 1 296.371 1.519 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000282016172 393166833 /nfs/dbraw/zinc/16/68/33/393166833.db2.gz KARBPWKHRHTHPE-UHFFFAOYSA-N 1 1 268.313 1.426 20 5 CDBDMO O=C(CCc1cnc[nH]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000193309528 393299552 /nfs/dbraw/zinc/29/95/52/393299552.db2.gz JXISJAQERBTANY-UHFFFAOYSA-N 1 1 286.291 1.840 20 5 CDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000355035202 413116509 /nfs/dbraw/zinc/11/65/09/413116509.db2.gz UCZNIHRWLRKTLC-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000355035202 413116512 /nfs/dbraw/zinc/11/65/12/413116512.db2.gz UCZNIHRWLRKTLC-UHFFFAOYSA-N 1 1 280.328 1.298 20 5 CDBDMO C[C@@]1(F)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778522 152299413 /nfs/dbraw/zinc/29/94/13/152299413.db2.gz YLKZYJIIRFGAER-BXUZGUMPSA-N 1 1 298.314 1.768 20 5 CDBDMO C[C@@]1(F)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778522 152299416 /nfs/dbraw/zinc/29/94/16/152299416.db2.gz YLKZYJIIRFGAER-BXUZGUMPSA-N 1 1 298.314 1.768 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041516 152399810 /nfs/dbraw/zinc/39/98/10/152399810.db2.gz WBNSDNNKDMTSAT-OUCADQQQSA-N 1 1 292.335 1.806 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354006723 156219870 /nfs/dbraw/zinc/21/98/70/156219870.db2.gz NKAVZAMPCJPMIY-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355399367 157028452 /nfs/dbraw/zinc/02/84/52/157028452.db2.gz OTGKEWLPQJNGRQ-UHFFFAOYSA-N 1 1 286.251 1.526 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355481206 157074648 /nfs/dbraw/zinc/07/46/48/157074648.db2.gz SUQNRSNHGGMNII-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000006311694 170190170 /nfs/dbraw/zinc/19/01/70/170190170.db2.gz AZPBRHGMMZWUGX-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO CN(C)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677642 172348549 /nfs/dbraw/zinc/34/85/49/172348549.db2.gz KJJIKGUXIXYNQA-UHFFFAOYSA-N 1 1 251.330 1.679 20 5 CDBDMO NC(=O)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103468749 270235062 /nfs/dbraw/zinc/23/50/62/270235062.db2.gz WXDBSJPNQOWVDU-UHFFFAOYSA-N 1 1 295.314 1.821 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000269980720 275039312 /nfs/dbraw/zinc/03/93/12/275039312.db2.gz QXOZOWVJASIYOU-CQSZACIVSA-N 1 1 277.324 1.506 20 5 CDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269382163 276041340 /nfs/dbraw/zinc/04/13/40/276041340.db2.gz PHDRTJMGULTQPT-SECBINFHSA-N 1 1 295.343 1.123 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000272557617 277175805 /nfs/dbraw/zinc/17/58/05/277175805.db2.gz TZYRPQQLIUYGFE-VHSXEESVSA-N 1 1 279.296 1.354 20 5 CDBDMO CN[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393349 277298943 /nfs/dbraw/zinc/29/89/43/277298943.db2.gz PCBWSEICUVDGHB-GHMZBOCLSA-N 1 1 251.330 1.723 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000518241449 281016790 /nfs/dbraw/zinc/01/67/90/281016790.db2.gz VUBVCBIGJBKMNI-NWDGAFQWSA-N 1 1 292.339 1.290 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459697228 281022634 /nfs/dbraw/zinc/02/26/34/281022634.db2.gz YIYHTFIFBJFKGK-WDMOLILDSA-N 1 1 280.324 1.249 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891751 295071542 /nfs/dbraw/zinc/07/15/42/295071542.db2.gz HQMDUPMDHQOFRN-NWDGAFQWSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891751 295071544 /nfs/dbraw/zinc/07/15/44/295071544.db2.gz HQMDUPMDHQOFRN-NWDGAFQWSA-N 1 1 291.351 1.861 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000576464579 317143620 /nfs/dbraw/zinc/14/36/20/317143620.db2.gz KNDVBLAUZDXSRL-BDAKNGLRSA-N 1 1 293.352 1.444 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000583126338 325111024 /nfs/dbraw/zinc/11/10/24/325111024.db2.gz DJTURWSIHIRBKJ-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO Cc1cccc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001156591733 1162027000 /nfs/dbraw/zinc/02/70/00/1162027000.db2.gz YGDPBZUVINVLAF-LBPRGKRZSA-N 1 1 291.351 1.973 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050703593 519680463 /nfs/dbraw/zinc/68/04/63/519680463.db2.gz JUUCHFYKNAIDQC-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000061709222 524036997 /nfs/dbraw/zinc/03/69/97/524036997.db2.gz ZTNOXHPGXMPUDY-SNVBAGLBSA-N 1 1 252.270 1.170 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000061709222 524037000 /nfs/dbraw/zinc/03/70/00/524037000.db2.gz ZTNOXHPGXMPUDY-SNVBAGLBSA-N 1 1 252.270 1.170 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356867559 525655625 /nfs/dbraw/zinc/65/56/25/525655625.db2.gz YUZBFKLVTIZQOP-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356867559 525655634 /nfs/dbraw/zinc/65/56/34/525655634.db2.gz YUZBFKLVTIZQOP-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952358 526987937 /nfs/dbraw/zinc/98/79/37/526987937.db2.gz JCYGJAOPHJUPQB-SUHUHFCYSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952358 526987945 /nfs/dbraw/zinc/98/79/45/526987945.db2.gz JCYGJAOPHJUPQB-SUHUHFCYSA-N 1 1 289.335 1.681 20 5 CDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000755815664 575542890 /nfs/dbraw/zinc/54/28/90/575542890.db2.gz PXSSOGRMEGHISY-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000755815664 575542893 /nfs/dbraw/zinc/54/28/93/575542893.db2.gz PXSSOGRMEGHISY-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773255354 575795447 /nfs/dbraw/zinc/79/54/47/575795447.db2.gz HOGZGAUVZPWGDF-CHWSQXEVSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773255354 575795448 /nfs/dbraw/zinc/79/54/48/575795448.db2.gz HOGZGAUVZPWGDF-CHWSQXEVSA-N 1 1 294.355 1.887 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC000773988639 575847068 /nfs/dbraw/zinc/84/70/68/575847068.db2.gz CVLLSXFPIHYQHA-LBPRGKRZSA-N 1 1 289.335 1.887 20 5 CDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC000773988639 575847070 /nfs/dbraw/zinc/84/70/70/575847070.db2.gz CVLLSXFPIHYQHA-LBPRGKRZSA-N 1 1 289.335 1.887 20 5 CDBDMO COC[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000739876183 576393263 /nfs/dbraw/zinc/39/32/63/576393263.db2.gz YISPLPCXIFETNN-LLVKDONJSA-N 1 1 268.317 1.334 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000739876183 576393264 /nfs/dbraw/zinc/39/32/64/576393264.db2.gz YISPLPCXIFETNN-LLVKDONJSA-N 1 1 268.317 1.334 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552828 576493020 /nfs/dbraw/zinc/49/30/20/576493020.db2.gz ROXFVZSOVQEDHD-SECBINFHSA-N 1 1 251.290 1.281 20 5 CDBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197320 576586918 /nfs/dbraw/zinc/58/69/18/576586918.db2.gz VPLMEBSNXKCUIJ-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197320 576586920 /nfs/dbraw/zinc/58/69/20/576586920.db2.gz VPLMEBSNXKCUIJ-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800870 576698165 /nfs/dbraw/zinc/69/81/65/576698165.db2.gz ZPUUBGHGDMWOGN-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800871 576698240 /nfs/dbraw/zinc/69/82/40/576698240.db2.gz ZPUUBGHGDMWOGN-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO CCCC[N@@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891458305 617419261 /nfs/dbraw/zinc/41/92/61/617419261.db2.gz RTCDLDLPOZMGJG-UHFFFAOYSA-N 1 1 298.339 1.903 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCSCC1 ZINC000892492862 617424667 /nfs/dbraw/zinc/42/46/67/617424667.db2.gz VXYJMCYXYKJLEO-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC(C)(C)CO)c1[N+](=O)[O-] ZINC000894688239 619019003 /nfs/dbraw/zinc/01/90/03/619019003.db2.gz OPBHMJTVRXCTIX-UHFFFAOYSA-N 1 1 298.339 1.759 20 5 CDBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560834 619383497 /nfs/dbraw/zinc/38/34/97/619383497.db2.gz WLDYXRFAXRZTAA-MWLCHTKSSA-N 1 1 295.314 1.658 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000895769758 619835526 /nfs/dbraw/zinc/83/55/26/619835526.db2.gz HPHOGPRSDSKMJA-VIFPVBQESA-N 1 1 273.296 1.654 20 5 CDBDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925251530 620627223 /nfs/dbraw/zinc/62/72/23/620627223.db2.gz DBUMYILOHZTTFF-MFKMUULPSA-N 1 1 292.339 1.659 20 5 CDBDMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000897684250 621072342 /nfs/dbraw/zinc/07/23/42/621072342.db2.gz LRFMRVABACMMRD-OZAOCKQISA-N 1 1 262.309 1.921 20 5 CDBDMO CCOCCOc1cc(C)ccc1C[NH2+]CC[N+](=O)[O-] ZINC000905161725 626672556 /nfs/dbraw/zinc/67/25/56/626672556.db2.gz UXCQCXMONYVKIP-UHFFFAOYSA-N 1 1 282.340 1.777 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915662044 631789241 /nfs/dbraw/zinc/78/92/41/631789241.db2.gz BKEGRQIGAMOCRW-SNVBAGLBSA-N 1 1 289.291 1.285 20 5 CDBDMO C[C@H](c1ccsc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791055818 1162187444 /nfs/dbraw/zinc/18/74/44/1162187444.db2.gz YYBKSQMEWHILIA-LLVKDONJSA-N 1 1 269.370 1.703 20 5 CDBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000872772894 1165478313 /nfs/dbraw/zinc/47/83/13/1165478313.db2.gz BZEVQKJURGPYHA-LBPRGKRZSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000872772894 1165478320 /nfs/dbraw/zinc/47/83/20/1165478320.db2.gz BZEVQKJURGPYHA-LBPRGKRZSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313726 1166332138 /nfs/dbraw/zinc/33/21/38/1166332138.db2.gz OFPWFLNMXHILJE-HUUCEWRRSA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635841 1166765499 /nfs/dbraw/zinc/76/54/99/1166765499.db2.gz AKILRWAUEKROHG-CORIIIEPSA-N 1 1 294.351 1.516 20 5 CDBDMO COc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164631838 719192206 /nfs/dbraw/zinc/19/22/06/719192206.db2.gz CMNLFPRZJSEXPP-UWVGGRQHSA-N 1 1 280.328 1.527 20 5 CDBDMO C[C@@H]1COCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590595 783676676 /nfs/dbraw/zinc/67/66/76/783676676.db2.gz IGQJEFKBCKQPAN-RISCZKNCSA-N 1 1 280.324 1.739 20 5 CDBDMO CC(C)(CCc1noc([C@H]2CCCC[NH2+]2)n1)[N+](=O)[O-] ZINC000823235947 783761306 /nfs/dbraw/zinc/76/13/06/783761306.db2.gz WUVYRVNZOHALJE-SECBINFHSA-N 1 1 268.317 1.872 20 5 CDBDMO COC(=O)[C@@H](C)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885981486 783910681 /nfs/dbraw/zinc/91/06/81/783910681.db2.gz GWRUMQLHRQJSSV-JTQLQIEISA-N 1 1 293.323 1.763 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885981486 783910687 /nfs/dbraw/zinc/91/06/87/783910687.db2.gz GWRUMQLHRQJSSV-JTQLQIEISA-N 1 1 293.323 1.763 20 5 CDBDMO CCO[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016430 784694680 /nfs/dbraw/zinc/69/46/80/784694680.db2.gz FDIUFILNLNXEAM-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CCO[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016430 784694691 /nfs/dbraw/zinc/69/46/91/784694691.db2.gz FDIUFILNLNXEAM-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)CCOCCO ZINC000882951509 784827486 /nfs/dbraw/zinc/82/74/86/784827486.db2.gz ILZKWHUVOYATLD-UHFFFAOYSA-N 1 1 297.355 1.256 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829539489 785368647 /nfs/dbraw/zinc/36/86/47/785368647.db2.gz ZRXWUCFARRHMEV-GFCCVEGCSA-N 1 1 285.388 1.811 20 5 CDBDMO O=C1CCCN1C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930193510 785765326 /nfs/dbraw/zinc/76/53/26/785765326.db2.gz BCVIVYFPIUCFBK-CYBMUJFWSA-N 1 1 277.324 1.216 20 5 CDBDMO CCC[N@@H+](CC)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219162195 786331252 /nfs/dbraw/zinc/33/12/52/786331252.db2.gz RBRNOGZLULAGAK-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCN(CC)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000219162195 786331260 /nfs/dbraw/zinc/33/12/60/786331260.db2.gz RBRNOGZLULAGAK-OAHLLOKOSA-N 1 1 295.383 1.950 20 5 CDBDMO C[C@](O)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(F)F ZINC000886087146 786642790 /nfs/dbraw/zinc/64/27/90/786642790.db2.gz QSNYTJJRBCDFJM-ZDUSSCGKSA-N 1 1 286.278 1.969 20 5 CDBDMO C[C@](O)(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(F)F ZINC000886087146 786642808 /nfs/dbraw/zinc/64/28/08/786642808.db2.gz QSNYTJJRBCDFJM-ZDUSSCGKSA-N 1 1 286.278 1.969 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000931464170 787043931 /nfs/dbraw/zinc/04/39/31/787043931.db2.gz JTKSOBDFPSZCQX-VHSXEESVSA-N 1 1 273.333 1.251 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000931464170 787043933 /nfs/dbraw/zinc/04/39/33/787043933.db2.gz JTKSOBDFPSZCQX-VHSXEESVSA-N 1 1 273.333 1.251 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]1CO ZINC000886162642 787883561 /nfs/dbraw/zinc/88/35/61/787883561.db2.gz VBZOBRQBJTWJME-GXSJLCMTSA-N 1 1 251.286 1.193 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000929161330 787892146 /nfs/dbraw/zinc/89/21/46/787892146.db2.gz QPUXTYNGTNFLKL-UHFFFAOYSA-N 1 1 268.313 1.802 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000929161330 787892149 /nfs/dbraw/zinc/89/21/49/787892149.db2.gz QPUXTYNGTNFLKL-UHFFFAOYSA-N 1 1 268.313 1.802 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)[N@H+]1C ZINC000132219296 788277077 /nfs/dbraw/zinc/27/70/77/788277077.db2.gz RITLIQJCKMEYNM-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)[N@@H+]1C ZINC000132219296 788277093 /nfs/dbraw/zinc/27/70/93/788277093.db2.gz RITLIQJCKMEYNM-AOOOYVTPSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]([NH2+]CCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000852096259 788864663 /nfs/dbraw/zinc/86/46/63/788864663.db2.gz JTKIUMCZIDLRQG-VIFPVBQESA-N 1 1 261.285 1.606 20 5 CDBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886162689 788866910 /nfs/dbraw/zinc/86/69/10/788866910.db2.gz VYGJBHWBUWBWHZ-MDZLAQPJSA-N 1 1 279.340 1.971 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511416 789069326 /nfs/dbraw/zinc/06/93/26/789069326.db2.gz HVSPCXCYVVWIFD-LBPRGKRZSA-N 1 1 291.351 1.909 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000158930834 789198183 /nfs/dbraw/zinc/19/81/83/789198183.db2.gz FITRANKWPVMWEN-UWVGGRQHSA-N 1 1 292.339 1.390 20 5 CDBDMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](CO)C1 ZINC000703864854 789589797 /nfs/dbraw/zinc/58/97/97/789589797.db2.gz AEOGNZDGUBSXQE-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](CO)C1 ZINC000703864854 789589825 /nfs/dbraw/zinc/58/98/25/789589825.db2.gz AEOGNZDGUBSXQE-LBPRGKRZSA-N 1 1 299.758 1.357 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886560172 789636171 /nfs/dbraw/zinc/63/61/71/789636171.db2.gz QAPPSIFJBLQBKP-AOOOYVTPSA-N 1 1 268.342 1.086 20 5 CDBDMO O=C1CC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]2N1 ZINC000886278713 789737732 /nfs/dbraw/zinc/73/77/32/789737732.db2.gz HLYAJPUFXAUISO-CMPLNLGQSA-N 1 1 290.323 1.090 20 5 CDBDMO O=C1CC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@H]2N1 ZINC000886278713 789737739 /nfs/dbraw/zinc/73/77/39/789737739.db2.gz HLYAJPUFXAUISO-CMPLNLGQSA-N 1 1 290.323 1.090 20 5 CDBDMO C[C@H]([NH2+]C1CC1)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191902 789781197 /nfs/dbraw/zinc/78/11/97/789781197.db2.gz NLVSDGZNONDSCV-QMMMGPOBSA-N 1 1 289.295 1.777 20 5 CDBDMO CC(C)=CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002788090 921238865 /nfs/dbraw/zinc/23/88/65/921238865.db2.gz NHYZHSZHMLGDQT-CHWSQXEVSA-N 1 1 281.356 1.198 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000697928464 909732840 /nfs/dbraw/zinc/73/28/40/909732840.db2.gz SRHGMWIKYUDVOZ-UHFFFAOYSA-N 1 1 266.257 1.621 20 5 CDBDMO O=C(NCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939258 909968331 /nfs/dbraw/zinc/96/83/31/909968331.db2.gz UWPLOSNETODWDU-CHWSQXEVSA-N 1 1 295.383 1.328 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000839728616 936921677 /nfs/dbraw/zinc/92/16/77/936921677.db2.gz QKTGCFCKDUVEQL-FMKGYKFTSA-N 1 1 291.351 1.459 20 5 CDBDMO [NH3+]C1(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000843185408 937119467 /nfs/dbraw/zinc/11/94/67/937119467.db2.gz SVUZKZNCLDLAJH-UHFFFAOYSA-N 1 1 289.295 1.580 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC001168956796 927578041 /nfs/dbraw/zinc/57/80/41/927578041.db2.gz FLTSJSAYLWNBFM-OLZOCXBDSA-N 1 1 255.362 1.507 20 5 CDBDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168966478 927588824 /nfs/dbraw/zinc/58/88/24/927588824.db2.gz ILMXFZMFLARMKN-XHJNMGKDSA-N 1 1 267.373 1.647 20 5 CDBDMO CCCN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968471 927591184 /nfs/dbraw/zinc/59/11/84/927591184.db2.gz ZIJFYYPPBOFSAW-OCCSQVGLSA-N 1 1 269.389 1.896 20 5 CDBDMO Cc1ncc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169010239 927614771 /nfs/dbraw/zinc/61/47/71/927614771.db2.gz BRMAYLZVDWKPBD-NWDGAFQWSA-N 1 1 264.329 1.453 20 5 CDBDMO C[N@@H+](Cc1nnc2ccccn21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011837 927616221 /nfs/dbraw/zinc/61/62/21/927616221.db2.gz MRGSOZWMIOOUFA-RYUDHWBXSA-N 1 1 289.339 1.607 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@](O)(CF)CC2)C1 ZINC001169011279 927617905 /nfs/dbraw/zinc/61/79/05/927617905.db2.gz JDXHNNDRLNPRTD-AGIUHOORSA-N 1 1 274.336 1.618 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169034261 927640183 /nfs/dbraw/zinc/64/01/83/927640183.db2.gz GKQVKUDPUOSMLT-ONGXEEELSA-N 1 1 250.302 1.181 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169034261 927640187 /nfs/dbraw/zinc/64/01/87/927640187.db2.gz GKQVKUDPUOSMLT-ONGXEEELSA-N 1 1 250.302 1.181 20 5 CDBDMO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037699 927647621 /nfs/dbraw/zinc/64/76/21/927647621.db2.gz SWITWOLAJCSDHV-XQQFMLRXSA-N 1 1 255.362 1.458 20 5 CDBDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169036731 927648302 /nfs/dbraw/zinc/64/83/02/927648302.db2.gz PVAUHXTYDALJKX-QWRGUYRKSA-N 1 1 254.330 1.733 20 5 CDBDMO CCO[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018987 927659809 /nfs/dbraw/zinc/65/98/09/927659809.db2.gz FXPSPRKGOYIIRF-JARUQAPTSA-N 1 1 298.383 1.700 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170900222 930701674 /nfs/dbraw/zinc/70/16/74/930701674.db2.gz QMWCZUPTOWKPHR-LLVKDONJSA-N 1 1 263.301 1.512 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc([N+](=O)[O-])ccc2F)o1 ZINC001118371457 937620965 /nfs/dbraw/zinc/62/09/65/937620965.db2.gz CYBGHJFCMNKHNA-UHFFFAOYSA-N 1 1 266.232 1.846 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000129022598 932781291 /nfs/dbraw/zinc/78/12/91/932781291.db2.gz RUTRGZFVKHJYTR-ZYHUDNBSSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000129022598 932781297 /nfs/dbraw/zinc/78/12/97/932781297.db2.gz RUTRGZFVKHJYTR-ZYHUDNBSSA-N 1 1 266.301 1.250 20 5 CDBDMO C[N@@H+](CCCOCc1ccccc1)CC[N+](=O)[O-] ZINC000930317467 933356581 /nfs/dbraw/zinc/35/65/81/933356581.db2.gz RNZIKZBKHZINKH-UHFFFAOYSA-N 1 1 252.314 1.802 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298554 937866383 /nfs/dbraw/zinc/86/63/83/937866383.db2.gz ZIAUBABBGJJHMC-DCAQKATOSA-N 1 1 296.375 1.072 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001156660232 938402650 /nfs/dbraw/zinc/40/26/50/938402650.db2.gz MVKWMWKLCRJHTC-JTQLQIEISA-N 1 1 293.714 1.947 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156660892 938402826 /nfs/dbraw/zinc/40/28/26/938402826.db2.gz SEHPIUOSMHDQPY-JTQLQIEISA-N 1 1 259.269 1.294 20 5 CDBDMO [NH3+]Cc1ncn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC001157928139 938563999 /nfs/dbraw/zinc/56/39/99/938563999.db2.gz CHUFKHSJFGTDAO-UHFFFAOYSA-N 1 1 289.082 1.336 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@H]3C2)n1 ZINC001158432367 938624509 /nfs/dbraw/zinc/62/45/09/938624509.db2.gz JZPNTQLTWKTDJT-NSHDSACASA-N 1 1 262.313 1.501 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159784599 938752479 /nfs/dbraw/zinc/75/24/79/938752479.db2.gz JRDOEKOCBZKJRV-ZETCQYMHSA-N 1 1 259.697 1.079 20 5 CDBDMO C[N@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331488 939026172 /nfs/dbraw/zinc/02/61/72/939026172.db2.gz QVBWRRFXPXVLJY-LBPRGKRZSA-N 1 1 250.302 1.886 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nn(C)cc1[N+](=O)[O-] ZINC001162631385 939106064 /nfs/dbraw/zinc/10/60/64/939106064.db2.gz GCODBBFQNCWSEA-NSHDSACASA-N 1 1 281.360 1.639 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001165149405 939519283 /nfs/dbraw/zinc/51/92/83/939519283.db2.gz PFDLFPPBWOPJCR-DTORHVGOSA-N 1 1 282.731 1.641 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226129495 941955116 /nfs/dbraw/zinc/95/51/16/941955116.db2.gz DJEMKNGSINWZJR-MRVPVSSYSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])cn1 ZINC001226735497 942060053 /nfs/dbraw/zinc/06/00/53/942060053.db2.gz SIWQMKMZLVDKQK-IAZYJMLFSA-N 1 1 278.312 1.494 20 5 CDBDMO COC(=O)c1ccc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227294356 942164304 /nfs/dbraw/zinc/16/43/04/942164304.db2.gz BYBCZIYQHTWBOV-SNVBAGLBSA-N 1 1 280.280 1.464 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885917 942723896 /nfs/dbraw/zinc/72/38/96/942723896.db2.gz ZLVMKDYFSJKTIR-SECBINFHSA-O 1 1 280.323 1.948 20 5 CDBDMO COC1(C)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597924 947544706 /nfs/dbraw/zinc/54/47/06/947544706.db2.gz JGXORSIHKCZKDC-ZDUSSCGKSA-N 1 1 262.309 1.783 20 5 CDBDMO C[N@H+](Cc1ncccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596742 947545576 /nfs/dbraw/zinc/54/55/76/947545576.db2.gz FVSDVIHIAFJCNP-CQSZACIVSA-N 1 1 284.319 1.984 20 5 CDBDMO C[N@@H+](Cc1ncccn1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596742 947545583 /nfs/dbraw/zinc/54/55/83/947545583.db2.gz FVSDVIHIAFJCNP-CQSZACIVSA-N 1 1 284.319 1.984 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](F)C[C@H](CO)C1)C2 ZINC001254596428 947545792 /nfs/dbraw/zinc/54/57/92/947545792.db2.gz DRAYFVSJPKZZCY-VZJVUDMVSA-N 1 1 294.326 1.714 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](F)C[C@H](CO)C1)C2 ZINC001254596428 947545799 /nfs/dbraw/zinc/54/57/99/947545799.db2.gz DRAYFVSJPKZZCY-VZJVUDMVSA-N 1 1 294.326 1.714 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001324429564 953384938 /nfs/dbraw/zinc/38/49/38/953384938.db2.gz VLNFICOUMFOYAN-YOGCLGLASA-N 1 1 276.340 1.757 20 5 CDBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303470745 956087826 /nfs/dbraw/zinc/08/78/26/956087826.db2.gz YIRWBNCQONORED-UHFFFAOYSA-N 1 1 277.284 1.112 20 5 CDBDMO CC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC001307701972 956431190 /nfs/dbraw/zinc/43/11/90/956431190.db2.gz FZTXDPCUULUDKW-NEPJUHHUSA-N 1 1 279.340 1.877 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCn1ncc([N+](=O)[O-])c1N ZINC001334797135 959370872 /nfs/dbraw/zinc/37/08/72/959370872.db2.gz OVQQEBQTRBXMKT-SECBINFHSA-N 1 1 253.306 1.248 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001322074575 960075113 /nfs/dbraw/zinc/07/51/13/960075113.db2.gz CNFHABYBFBYQSN-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340908227 963185462 /nfs/dbraw/zinc/18/54/62/963185462.db2.gz RMMDMPACVYLHQF-MNOVXSKESA-N 1 1 299.277 1.409 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001347840083 965722567 /nfs/dbraw/zinc/72/25/67/965722567.db2.gz NMTWTKTWEYJXRK-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001347840083 965722573 /nfs/dbraw/zinc/72/25/73/965722573.db2.gz NMTWTKTWEYJXRK-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001354266186 968583353 /nfs/dbraw/zinc/58/33/53/968583353.db2.gz HLVQCUJJZUXJOW-TZMCWYRMSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1CN(C)CCN1C ZINC001354266186 968583360 /nfs/dbraw/zinc/58/33/60/968583360.db2.gz HLVQCUJJZUXJOW-TZMCWYRMSA-N 1 1 292.383 1.949 20 5 CDBDMO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001576476186 1171432081 /nfs/dbraw/zinc/43/20/81/1171432081.db2.gz DTSPDISKNVHLBW-NSHDSACASA-N 1 1 279.296 1.028 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000601179065 342488015 /nfs/dbraw/zinc/48/80/15/342488015.db2.gz KKNJBROBXVWFMH-JOYOIKCWSA-N 1 1 280.303 1.659 20 5 CDBDMO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609200977 342096179 /nfs/dbraw/zinc/09/61/79/342096179.db2.gz PMMMKFZYWUIKIS-LLVKDONJSA-N 1 1 293.323 1.171 20 5 CDBDMO CC[C@]1(O)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595449698 343054176 /nfs/dbraw/zinc/05/41/76/343054176.db2.gz RBSAGWVDZHHFRH-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595449698 343054177 /nfs/dbraw/zinc/05/41/77/343054177.db2.gz RBSAGWVDZHHFRH-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595472581 343073189 /nfs/dbraw/zinc/07/31/89/343073189.db2.gz NHWSWWUCXHUUKS-SCZZXKLOSA-N 1 1 269.301 1.891 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595472581 343073191 /nfs/dbraw/zinc/07/31/91/343073191.db2.gz NHWSWWUCXHUUKS-SCZZXKLOSA-N 1 1 269.301 1.891 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595561977 343098513 /nfs/dbraw/zinc/09/85/13/343098513.db2.gz HCXFDNPJFHFWNZ-ZJUUUORDSA-N 1 1 267.285 1.502 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595561977 343098516 /nfs/dbraw/zinc/09/85/16/343098516.db2.gz HCXFDNPJFHFWNZ-ZJUUUORDSA-N 1 1 267.285 1.502 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706018 343127614 /nfs/dbraw/zinc/12/76/14/343127614.db2.gz WPCLWWNECZCVKN-NWDGAFQWSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596049147 343218308 /nfs/dbraw/zinc/21/83/08/343218308.db2.gz FAMUKJTYOIRETR-VIFPVBQESA-N 1 1 266.301 1.592 20 5 CDBDMO CC1(C)C[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596102096 343236334 /nfs/dbraw/zinc/23/63/34/343236334.db2.gz PZIOEGMEMRURHA-UHFFFAOYSA-N 1 1 296.327 1.218 20 5 CDBDMO CC1(C)C[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596102096 343236336 /nfs/dbraw/zinc/23/63/36/343236336.db2.gz PZIOEGMEMRURHA-UHFFFAOYSA-N 1 1 296.327 1.218 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596129446 343238155 /nfs/dbraw/zinc/23/81/55/343238155.db2.gz PZPMWWZJDJGECV-SNVBAGLBSA-N 1 1 279.344 1.350 20 5 CDBDMO CC(C)[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1C ZINC000596205372 343265303 /nfs/dbraw/zinc/26/53/03/343265303.db2.gz IUWWRGXWLDYBBL-NSHDSACASA-N 1 1 279.344 1.348 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084324 282239309 /nfs/dbraw/zinc/23/93/09/282239309.db2.gz DUHOAJUMPLDXAD-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084324 282239316 /nfs/dbraw/zinc/23/93/16/282239316.db2.gz DUHOAJUMPLDXAD-NXEZZACHSA-N 1 1 280.328 1.098 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598341582 343770349 /nfs/dbraw/zinc/77/03/49/343770349.db2.gz CVYSMLCTIHLFQA-SNVBAGLBSA-N 1 1 292.339 1.391 20 5 CDBDMO CNC(=O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000025579462 344166844 /nfs/dbraw/zinc/16/68/44/344166844.db2.gz BXSAKOPAIMWDSU-UHFFFAOYSA-N 1 1 292.339 1.217 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000601980634 344306705 /nfs/dbraw/zinc/30/67/05/344306705.db2.gz YYFQIRIGRBJCQB-LLVKDONJSA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000601980634 344306708 /nfs/dbraw/zinc/30/67/08/344306708.db2.gz YYFQIRIGRBJCQB-LLVKDONJSA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000602761869 344583485 /nfs/dbraw/zinc/58/34/85/344583485.db2.gz BMERCZWFZXULIW-LBPRGKRZSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCOC[C@@H]1C ZINC000602794426 344585840 /nfs/dbraw/zinc/58/58/40/344585840.db2.gz BAIWKNHAYHNSBN-JTQLQIEISA-N 1 1 268.317 1.211 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602796900 344587357 /nfs/dbraw/zinc/58/73/57/344587357.db2.gz KFSRQAJYAJNOTL-NSHDSACASA-N 1 1 296.327 1.127 20 5 CDBDMO Cc1ccnc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292415079 362470510 /nfs/dbraw/zinc/47/05/10/362470510.db2.gz WCEBZEBXWKZIQJ-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO COC[C@](C)(CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000602931118 344662191 /nfs/dbraw/zinc/66/21/91/344662191.db2.gz HBEBXYRGTBVQHQ-LBPRGKRZSA-N 1 1 272.276 1.221 20 5 CDBDMO CC[C@@H]1C[NH+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000602846605 344624598 /nfs/dbraw/zinc/62/45/98/344624598.db2.gz PIMOUXZLYAZSMI-CHWSQXEVSA-N 1 1 296.371 1.989 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000049460842 344712183 /nfs/dbraw/zinc/71/21/83/344712183.db2.gz LZGGGDSGKASDRR-UHFFFAOYSA-N 1 1 274.280 1.530 20 5 CDBDMO CC[N@H+]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000611084732 346604132 /nfs/dbraw/zinc/60/41/32/346604132.db2.gz OVSNZTSNINLNPO-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO CC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053456943 347740508 /nfs/dbraw/zinc/74/05/08/347740508.db2.gz WZTFSRCFTRYVCA-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO CC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053456943 347740511 /nfs/dbraw/zinc/74/05/11/347740511.db2.gz WZTFSRCFTRYVCA-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO Cc1cnc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829111 348243338 /nfs/dbraw/zinc/24/33/38/348243338.db2.gz IHVDUYHRVFVHHC-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1cnc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000614829111 348243340 /nfs/dbraw/zinc/24/33/40/348243340.db2.gz IHVDUYHRVFVHHC-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO C[C@H](c1ccncc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091990558 180300013 /nfs/dbraw/zinc/30/00/13/180300013.db2.gz NGODLPRNWCFWGN-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628251 366057153 /nfs/dbraw/zinc/05/71/53/366057153.db2.gz LUNCFKARVJTYDY-NWDGAFQWSA-N 1 1 282.344 1.274 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279877590 363338794 /nfs/dbraw/zinc/33/87/94/363338794.db2.gz UFAXGSVOJPSSQK-GFCCVEGCSA-N 1 1 250.298 1.798 20 5 CDBDMO CCOCC[N@@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176236232 358749395 /nfs/dbraw/zinc/74/93/95/358749395.db2.gz FADHBWGQTDANNU-UHFFFAOYSA-N 1 1 256.306 1.150 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189509 358731397 /nfs/dbraw/zinc/73/13/97/358731397.db2.gz VOHAJFNZIZZFFS-PHIMTYICSA-N 1 1 252.318 1.769 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000339671734 359426366 /nfs/dbraw/zinc/42/63/66/359426366.db2.gz QARJZKMUYUOZNU-QWRGUYRKSA-N 1 1 292.339 1.290 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339678340 359427215 /nfs/dbraw/zinc/42/72/15/359427215.db2.gz LFTYPJXDXWVDKZ-JSGCOSHPSA-N 1 1 294.355 1.274 20 5 CDBDMO Cc1nc(NC[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000297316283 200145536 /nfs/dbraw/zinc/14/55/36/200145536.db2.gz ZJPGKMDEOCQAJT-SECBINFHSA-N 1 1 251.290 1.057 20 5 CDBDMO C[C@@H]1CSCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408360525 359688529 /nfs/dbraw/zinc/68/85/29/359688529.db2.gz VNKJMQSZOSHOGP-VIFPVBQESA-N 1 1 270.358 1.513 20 5 CDBDMO C[C@@H]1CSCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408360525 359688533 /nfs/dbraw/zinc/68/85/33/359688533.db2.gz VNKJMQSZOSHOGP-VIFPVBQESA-N 1 1 270.358 1.513 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCC2)O1 ZINC000514860462 360238646 /nfs/dbraw/zinc/23/86/46/360238646.db2.gz GWHGSMRZVZOCFT-LLVKDONJSA-N 1 1 280.328 1.435 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCC2)O1 ZINC000514860462 360238650 /nfs/dbraw/zinc/23/86/50/360238650.db2.gz GWHGSMRZVZOCFT-LLVKDONJSA-N 1 1 280.328 1.435 20 5 CDBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+](C)C1CC1 ZINC000176437305 360301508 /nfs/dbraw/zinc/30/15/08/360301508.db2.gz FYVYLYIKULFFKU-SECBINFHSA-N 1 1 292.339 1.390 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178013508 189085458 /nfs/dbraw/zinc/08/54/58/189085458.db2.gz VGMSIRTWNYGMBI-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000370081690 360863388 /nfs/dbraw/zinc/86/33/88/360863388.db2.gz GXCRHLQECAISEF-CHWSQXEVSA-N 1 1 281.356 1.175 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667402 360990645 /nfs/dbraw/zinc/99/06/45/360990645.db2.gz OWCDHKGVBHKHGW-UWVGGRQHSA-N 1 1 267.333 1.105 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199324 364443820 /nfs/dbraw/zinc/44/38/20/364443820.db2.gz OJIVUHPFYIYKLB-IINYFYTJSA-N 1 1 289.335 1.807 20 5 CDBDMO C[C@]1(CCCO)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000345922306 364949221 /nfs/dbraw/zinc/94/92/21/364949221.db2.gz DZGCGRHGJNIRAV-CYBMUJFWSA-N 1 1 282.344 1.418 20 5 CDBDMO Cc1cccc(OC[C@H](O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000312876208 364995655 /nfs/dbraw/zinc/99/56/55/364995655.db2.gz ZHUYAQCZFQUPDA-GFCCVEGCSA-N 1 1 282.340 1.983 20 5 CDBDMO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000297442952 367246515 /nfs/dbraw/zinc/24/65/15/367246515.db2.gz ITXSBYHGBBFFBR-RYUDHWBXSA-N 1 1 291.355 1.614 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565688 367774873 /nfs/dbraw/zinc/77/48/73/367774873.db2.gz MHZONLVZOYMNAV-ZKYQVNSYSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000275913097 193161799 /nfs/dbraw/zinc/16/17/99/193161799.db2.gz XUECCBZSBDSNKI-CQSZACIVSA-N 1 1 280.324 1.475 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)C2CCC2)c1 ZINC000275920768 193164194 /nfs/dbraw/zinc/16/41/94/193164194.db2.gz ZJORIGSMCVHMCT-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330595430 203016861 /nfs/dbraw/zinc/01/68/61/203016861.db2.gz QUHYBEBBTYIBNO-NEPJUHHUSA-N 1 1 291.351 1.688 20 5 CDBDMO O=C1NCCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562838 369080261 /nfs/dbraw/zinc/08/02/61/369080261.db2.gz OKZSOMWWVYGLPA-SECBINFHSA-N 1 1 269.326 1.415 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000330669015 203096533 /nfs/dbraw/zinc/09/65/33/203096533.db2.gz KHKTWPWSYUZZSK-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000330669015 203096537 /nfs/dbraw/zinc/09/65/37/203096537.db2.gz KHKTWPWSYUZZSK-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330672021 203101434 /nfs/dbraw/zinc/10/14/34/203101434.db2.gz FYTBJWLYEGCOJS-UHFFFAOYSA-N 1 1 295.343 1.047 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001580218638 1172376608 /nfs/dbraw/zinc/37/66/08/1172376608.db2.gz UZMLAPIFTADSTG-UHFFFAOYSA-N 1 1 292.217 1.449 20 5 CDBDMO C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000420401809 244204107 /nfs/dbraw/zinc/20/41/07/244204107.db2.gz JNARYCDNUHEBHF-QWHCGFSZSA-N 1 1 293.367 1.890 20 5 CDBDMO C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420406036 244207885 /nfs/dbraw/zinc/20/78/85/244207885.db2.gz NIFWZHKCFSBNML-STQMWFEESA-N 1 1 293.367 1.890 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420637378 244303017 /nfs/dbraw/zinc/30/30/17/244303017.db2.gz OLURCLPXUQSYKG-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000330892792 203359752 /nfs/dbraw/zinc/35/97/52/203359752.db2.gz DHIBQFVPSIJDHX-BDAKNGLRSA-N 1 1 267.285 1.400 20 5 CDBDMO CC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262196 203664472 /nfs/dbraw/zinc/66/44/72/203664472.db2.gz CVEBOFNILCVOGJ-JQWIXIFHSA-N 1 1 268.317 1.027 20 5 CDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC000368073656 371505933 /nfs/dbraw/zinc/50/59/33/371505933.db2.gz LMJAGQXEVIGGJG-STQMWFEESA-N 1 1 294.355 1.681 20 5 CDBDMO Cn1c2ccccc2[nH+]c1NCCn1cc([N+](=O)[O-])cn1 ZINC000179318185 372268738 /nfs/dbraw/zinc/26/87/38/372268738.db2.gz PNRZYJRCONZOEK-UHFFFAOYSA-N 1 1 286.295 1.790 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301301187 373504981 /nfs/dbraw/zinc/50/49/81/373504981.db2.gz VCOOUKZBDAJISG-LLVKDONJSA-N 1 1 281.360 1.781 20 5 CDBDMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667620 373550780 /nfs/dbraw/zinc/55/07/80/373550780.db2.gz SZAUFKCFTAUOEY-ZDUSSCGKSA-N 1 1 295.339 1.072 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000091558554 374034654 /nfs/dbraw/zinc/03/46/54/374034654.db2.gz WDNZEJLHQOVMCK-SNVBAGLBSA-N 1 1 279.344 1.768 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003114 374293759 /nfs/dbraw/zinc/29/37/59/374293759.db2.gz MWJNDNVYALKKKP-JTQLQIEISA-N 1 1 280.328 1.385 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952500 374308931 /nfs/dbraw/zinc/30/89/31/374308931.db2.gz XZJKGGLJQJYRMJ-OLZOCXBDSA-N 1 1 294.351 1.924 20 5 CDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)O ZINC000114728845 374345732 /nfs/dbraw/zinc/34/57/32/374345732.db2.gz JPNHTPOHJYYIFT-UHFFFAOYSA-N 1 1 296.323 1.664 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154827523 374760115 /nfs/dbraw/zinc/76/01/15/374760115.db2.gz OIBOHHYLMCJLKU-GXFFZTMASA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154827523 374760122 /nfs/dbraw/zinc/76/01/22/374760122.db2.gz OIBOHHYLMCJLKU-GXFFZTMASA-N 1 1 265.313 1.726 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093717611 374780502 /nfs/dbraw/zinc/78/05/02/374780502.db2.gz QMRPATISZQLHIR-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279782337 374960086 /nfs/dbraw/zinc/96/00/86/374960086.db2.gz NSXATVRGTZZHKW-CYBMUJFWSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000331566500 374974420 /nfs/dbraw/zinc/97/44/20/374974420.db2.gz UPJLLXCBKZXTEQ-LLVKDONJSA-N 1 1 289.335 1.870 20 5 CDBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614976 375039609 /nfs/dbraw/zinc/03/96/09/375039609.db2.gz DXXVZJQMPPSBIM-NXEZZACHSA-N 1 1 252.318 1.949 20 5 CDBDMO CCN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000391543771 374981620 /nfs/dbraw/zinc/98/16/20/374981620.db2.gz OYCYBKKUGAYFQW-SNVBAGLBSA-N 1 1 297.742 1.959 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280104154 374982672 /nfs/dbraw/zinc/98/26/72/374982672.db2.gz AQIUEQVEYUXMKE-ZDUSSCGKSA-N 1 1 297.742 1.946 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355624 374991988 /nfs/dbraw/zinc/99/19/88/374991988.db2.gz UBAPEQXQLAHPHS-ZDUSSCGKSA-N 1 1 263.297 1.292 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CCCO ZINC000332680448 375042742 /nfs/dbraw/zinc/04/27/42/375042742.db2.gz JSLPEQVQAMLGPL-JTQLQIEISA-N 1 1 268.317 1.065 20 5 CDBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)on1 ZINC000331561078 374972411 /nfs/dbraw/zinc/97/24/11/374972411.db2.gz JKNBFEDHAMOPAP-LBPRGKRZSA-N 1 1 291.311 1.925 20 5 CDBDMO Cc1cc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)on1 ZINC000331561078 374972419 /nfs/dbraw/zinc/97/24/19/374972419.db2.gz JKNBFEDHAMOPAP-LBPRGKRZSA-N 1 1 291.311 1.925 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000299556306 375181051 /nfs/dbraw/zinc/18/10/51/375181051.db2.gz RNMRBMBCCARLMP-ZDUSSCGKSA-N 1 1 292.339 1.217 20 5 CDBDMO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n(C)n1 ZINC000283840762 375125413 /nfs/dbraw/zinc/12/54/13/375125413.db2.gz HHHRELWZADBCOP-UHFFFAOYSA-N 1 1 266.326 1.988 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000304316524 375428229 /nfs/dbraw/zinc/42/82/29/375428229.db2.gz ONPGJNGZVARSGT-YUTCNCBUSA-N 1 1 294.355 1.417 20 5 CDBDMO NC(=[NH2+])Nc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000352797347 375541038 /nfs/dbraw/zinc/54/10/38/375541038.db2.gz QEMBESZXMOHHER-UHFFFAOYSA-N 1 1 252.259 1.352 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162821 375563383 /nfs/dbraw/zinc/56/33/83/375563383.db2.gz XLIPCNMVONFRTM-DGCLKSJQSA-N 1 1 281.356 1.476 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c(F)c1 ZINC000347343171 375576188 /nfs/dbraw/zinc/57/61/88/375576188.db2.gz RINSZLWYZJFAEL-RYUDHWBXSA-N 1 1 284.287 1.052 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCNC(=O)CC1 ZINC000296513624 376322383 /nfs/dbraw/zinc/32/23/83/376322383.db2.gz MGEJZKYLNFXUNO-GFCCVEGCSA-N 1 1 291.351 1.943 20 5 CDBDMO CC1=CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000436267481 249390443 /nfs/dbraw/zinc/39/04/43/249390443.db2.gz CUAKYBLFLRSHBQ-ZDUSSCGKSA-N 1 1 292.335 1.987 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000173620044 378729259 /nfs/dbraw/zinc/72/92/59/378729259.db2.gz AGIGJCFYWKJPQW-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C1 ZINC000267015111 379194575 /nfs/dbraw/zinc/19/45/75/379194575.db2.gz ISKMPZZGTCRFKX-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C1 ZINC000267015111 379194583 /nfs/dbraw/zinc/19/45/83/379194583.db2.gz ISKMPZZGTCRFKX-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO COCC[N@@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000173913441 379340770 /nfs/dbraw/zinc/34/07/70/379340770.db2.gz ALNCKKQNYLPGSL-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872462 379596427 /nfs/dbraw/zinc/59/64/27/379596427.db2.gz MBDKXEFOGFJODJ-QWHCGFSZSA-N 1 1 296.371 1.927 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000175232723 379674941 /nfs/dbraw/zinc/67/49/41/379674941.db2.gz BWWDCVJNKALHAH-VIFPVBQESA-N 1 1 283.353 1.744 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000175232723 379674949 /nfs/dbraw/zinc/67/49/49/379674949.db2.gz BWWDCVJNKALHAH-VIFPVBQESA-N 1 1 283.353 1.744 20 5 CDBDMO CCOc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000492720219 253280811 /nfs/dbraw/zinc/28/08/11/253280811.db2.gz HJHGRYWNMGTCMQ-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312488 197293783 /nfs/dbraw/zinc/29/37/83/197293783.db2.gz FDQZDDXJNJIVKM-IAQYHMDHSA-N 1 1 293.367 1.701 20 5 CDBDMO O=C1N[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281286533 195181911 /nfs/dbraw/zinc/18/19/11/195181911.db2.gz OTVNUOJJPDXDQA-YPMHNXCESA-N 1 1 291.307 1.525 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000105791002 390519406 /nfs/dbraw/zinc/51/94/06/390519406.db2.gz PIFNURQJWXUMSU-LLVKDONJSA-N 1 1 280.328 1.147 20 5 CDBDMO COCC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000105791002 390519407 /nfs/dbraw/zinc/51/94/07/390519407.db2.gz PIFNURQJWXUMSU-LLVKDONJSA-N 1 1 280.328 1.147 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451158177 390602200 /nfs/dbraw/zinc/60/22/00/390602200.db2.gz KAKVFRPRSGQLGF-SECBINFHSA-N 1 1 278.312 1.674 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000362808298 390868203 /nfs/dbraw/zinc/86/82/03/390868203.db2.gz ZFZCDIWLXMULEX-CMPLNLGQSA-N 1 1 289.335 1.682 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411203874 390966086 /nfs/dbraw/zinc/96/60/86/390966086.db2.gz YLRXGNIKJGYBTJ-CYBMUJFWSA-N 1 1 293.323 1.380 20 5 CDBDMO CCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411753395 390968249 /nfs/dbraw/zinc/96/82/49/390968249.db2.gz CONFRCSOLJKVKY-UHFFFAOYSA-N 1 1 265.313 1.556 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221911 390968660 /nfs/dbraw/zinc/96/86/60/390968660.db2.gz GAUXGJSGIJHGMW-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000517221911 390968661 /nfs/dbraw/zinc/96/86/61/390968661.db2.gz GAUXGJSGIJHGMW-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914401 390970888 /nfs/dbraw/zinc/97/08/88/390970888.db2.gz RPKXOCWCKYEYSC-GXFFZTMASA-N 1 1 250.298 1.592 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000519885229 391286597 /nfs/dbraw/zinc/28/65/97/391286597.db2.gz TYCGCQXDAYKMLZ-UHFFFAOYSA-N 1 1 294.355 1.869 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290878478 391522463 /nfs/dbraw/zinc/52/24/63/391522463.db2.gz DKCHNDXNPACQTM-GFCCVEGCSA-N 1 1 293.367 1.982 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990827 391638877 /nfs/dbraw/zinc/63/88/77/391638877.db2.gz KDTUOBXKTLEZMT-YPMHNXCESA-N 1 1 296.371 1.520 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000189654463 130004292 /nfs/dbraw/zinc/00/42/92/130004292.db2.gz NBHIUXGZGNMIEB-CQSZACIVSA-N 1 1 280.324 1.832 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190899349 130159261 /nfs/dbraw/zinc/15/92/61/130159261.db2.gz FPVMGGDKKQDSJX-QWRGUYRKSA-N 1 1 298.339 1.167 20 5 CDBDMO CNC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000412058132 391856815 /nfs/dbraw/zinc/85/68/15/391856815.db2.gz UBVWGSNASOALDX-UHFFFAOYSA-N 1 1 292.339 1.488 20 5 CDBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263913596 131359368 /nfs/dbraw/zinc/35/93/68/131359368.db2.gz NSLPHEXNCWKERP-UHFFFAOYSA-N 1 1 280.328 1.479 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372492 392574108 /nfs/dbraw/zinc/57/41/08/392574108.db2.gz SXZWPGVGKRCZQX-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420993522 392924099 /nfs/dbraw/zinc/92/40/99/392924099.db2.gz ZGYGCLTULIVXAT-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700302 392943108 /nfs/dbraw/zinc/94/31/08/392943108.db2.gz DSIBSPONKMGVNA-CYBMUJFWSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000430197949 393090711 /nfs/dbraw/zinc/09/07/11/393090711.db2.gz XEPYNUHOLTUSLR-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430240662 393095573 /nfs/dbraw/zinc/09/55/73/393095573.db2.gz DVSFGNPSABRDKH-JTQLQIEISA-N 1 1 295.339 1.417 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131759951 393207436 /nfs/dbraw/zinc/20/74/36/393207436.db2.gz OKQRMTDTLXRZLP-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000162615005 393209795 /nfs/dbraw/zinc/20/97/95/393209795.db2.gz VETJFUHHNFCXGG-JTQLQIEISA-N 1 1 262.313 1.947 20 5 CDBDMO C[NH2+]CCCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423188577 397602354 /nfs/dbraw/zinc/60/23/54/397602354.db2.gz ODMNTUNOKYYYOR-LLVKDONJSA-N 1 1 294.355 1.511 20 5 CDBDMO CC[NH2+][C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262499343 149069108 /nfs/dbraw/zinc/06/91/08/149069108.db2.gz XSTRGEAMZYVQNG-MRVPVSSYSA-N 1 1 291.311 1.199 20 5 CDBDMO CN(C)c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc[nH+]1 ZINC000344007652 152386689 /nfs/dbraw/zinc/38/66/89/152386689.db2.gz DEZIPZKNJYIEFR-UHFFFAOYSA-N 1 1 276.256 1.031 20 5 CDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685534 153271886 /nfs/dbraw/zinc/27/18/86/153271886.db2.gz SQAINFHKFWMVHN-MFKMUULPSA-N 1 1 278.308 1.978 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375599467 160395555 /nfs/dbraw/zinc/39/55/55/160395555.db2.gz UDICTMPHMOQFTE-MRVPVSSYSA-N 1 1 279.325 1.779 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000359778550 158372864 /nfs/dbraw/zinc/37/28/64/158372864.db2.gz PHNJBJMDVKRNBR-VIFPVBQESA-N 1 1 283.332 1.168 20 5 CDBDMO CCC[N@H+](CC)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359778550 158372866 /nfs/dbraw/zinc/37/28/66/158372866.db2.gz PHNJBJMDVKRNBR-VIFPVBQESA-N 1 1 283.332 1.168 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359778550 158372868 /nfs/dbraw/zinc/37/28/68/158372868.db2.gz PHNJBJMDVKRNBR-VIFPVBQESA-N 1 1 283.332 1.168 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[C@@H](C)C1 ZINC000362149692 159084257 /nfs/dbraw/zinc/08/42/57/159084257.db2.gz NHXBWVSOHBZYMG-CHWSQXEVSA-N 1 1 296.371 1.928 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980686 159283347 /nfs/dbraw/zinc/28/33/47/159283347.db2.gz QUTWWGVKCLBHKQ-GMXVVIOVSA-N 1 1 291.351 1.970 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CCC[N@H+]2CCC[C@H]2C1 ZINC000371475699 160014542 /nfs/dbraw/zinc/01/45/42/160014542.db2.gz MEHQATAGTRPTLL-NSHDSACASA-N 1 1 262.313 1.664 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000372337175 160107414 /nfs/dbraw/zinc/10/74/14/160107414.db2.gz BDYDYOHFAQENMV-NSHDSACASA-N 1 1 250.302 1.523 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000372337174 160107701 /nfs/dbraw/zinc/10/77/01/160107701.db2.gz BDYDYOHFAQENMV-LLVKDONJSA-N 1 1 250.302 1.523 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000044564371 175207549 /nfs/dbraw/zinc/20/75/49/175207549.db2.gz NGOXGQPKYAFZDC-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000313077231 260243978 /nfs/dbraw/zinc/24/39/78/260243978.db2.gz QWZJYTBYITYMKG-UHFFFAOYSA-N 1 1 295.339 1.608 20 5 CDBDMO COc1nccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000395119755 270340867 /nfs/dbraw/zinc/34/08/67/270340867.db2.gz JJWFSUMFUXBHIF-UHFFFAOYSA-N 1 1 288.307 1.992 20 5 CDBDMO CN(C)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000397881486 270351658 /nfs/dbraw/zinc/35/16/58/270351658.db2.gz KSPDKIKUNDUFIS-UHFFFAOYSA-N 1 1 255.343 1.840 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000193410640 274264498 /nfs/dbraw/zinc/26/44/98/274264498.db2.gz ONRJGJRNTCENKB-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269471334 276071377 /nfs/dbraw/zinc/07/13/77/276071377.db2.gz UQORIJXTWQDJOB-UHFFFAOYSA-N 1 1 283.332 1.123 20 5 CDBDMO COc1cccc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000185079154 278016112 /nfs/dbraw/zinc/01/61/12/278016112.db2.gz YJNJCCDECKFYMR-UHFFFAOYSA-N 1 1 251.286 1.355 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248907460 280393312 /nfs/dbraw/zinc/39/33/12/280393312.db2.gz IGXFVMYHOGTDQG-VXGBXAGGSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000571032656 294354387 /nfs/dbraw/zinc/35/43/87/294354387.db2.gz ZIMVBIIQYQGHKQ-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352565 316263748 /nfs/dbraw/zinc/26/37/48/316263748.db2.gz JFVCGJMDASAHHH-SMDDNHRTSA-N 1 1 281.356 1.558 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360747260 482446875 /nfs/dbraw/zinc/44/68/75/482446875.db2.gz MCEUAAUOLSTDTL-UHFFFAOYSA-N 1 1 281.312 1.884 20 5 CDBDMO CCc1nn(C)c(NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000220150346 536182425 /nfs/dbraw/zinc/18/24/25/536182425.db2.gz HVJHRABNTMSDHY-VIFPVBQESA-N 1 1 281.360 1.785 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000049400425 519607784 /nfs/dbraw/zinc/60/77/84/519607784.db2.gz JYIRAYKMNRCZPY-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO CC(C)NC(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443465 519708675 /nfs/dbraw/zinc/70/86/75/519708675.db2.gz KPKBLGMPSYKMFI-UHFFFAOYSA-N 1 1 285.731 1.862 20 5 CDBDMO CCNC(=O)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000339317211 521744278 /nfs/dbraw/zinc/74/42/78/521744278.db2.gz LGCXRHMNZUXQDJ-ZDUSSCGKSA-N 1 1 297.330 1.984 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227823992 536182453 /nfs/dbraw/zinc/18/24/53/536182453.db2.gz MASNUNLULSBQRD-NEPJUHHUSA-N 1 1 293.371 1.929 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766845911 576138914 /nfs/dbraw/zinc/13/89/14/576138914.db2.gz GVUGUTBXKUKVEL-JTQLQIEISA-N 1 1 297.330 1.878 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872796 576439133 /nfs/dbraw/zinc/43/91/33/576439133.db2.gz FFKFEWPFVZDDQC-BPCQOVAHSA-N 1 1 266.297 1.083 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000742158323 576583680 /nfs/dbraw/zinc/58/36/80/576583680.db2.gz ASIZFXPQCYHABA-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000742158323 576583681 /nfs/dbraw/zinc/58/36/81/576583681.db2.gz ASIZFXPQCYHABA-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000750066139 576974429 /nfs/dbraw/zinc/97/44/29/576974429.db2.gz GMCYAOSQVAGDSX-STQMWFEESA-N 1 1 266.297 1.349 20 5 CDBDMO COc1c(O)ccc(CNC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000892720830 617648683 /nfs/dbraw/zinc/64/86/83/617648683.db2.gz GKFOSVQYRRLOSQ-NSHDSACASA-N 1 1 295.339 1.493 20 5 CDBDMO COc1c(O)ccc(CNC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000892720830 617648690 /nfs/dbraw/zinc/64/86/90/617648690.db2.gz GKFOSVQYRRLOSQ-NSHDSACASA-N 1 1 295.339 1.493 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000892762479 617711510 /nfs/dbraw/zinc/71/15/10/617711510.db2.gz AHYZRLMEDXIPMH-GFCCVEGCSA-N 1 1 293.371 1.496 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928569467 619410755 /nfs/dbraw/zinc/41/07/55/619410755.db2.gz VFQOCNMBMNTNQC-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928569467 619410757 /nfs/dbraw/zinc/41/07/57/619410757.db2.gz VFQOCNMBMNTNQC-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](F)C1 ZINC000902995976 625757586 /nfs/dbraw/zinc/75/75/86/625757586.db2.gz QAAVDLZZJXYGHL-RYUDHWBXSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](F)C1 ZINC000902995976 625757593 /nfs/dbraw/zinc/75/75/93/625757593.db2.gz QAAVDLZZJXYGHL-RYUDHWBXSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000905038409 626378852 /nfs/dbraw/zinc/37/88/52/626378852.db2.gz BZTADFHQVNWHLS-UHFFFAOYSA-N 1 1 250.302 1.048 20 5 CDBDMO C[C@@H](CCNCC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905146513 626658084 /nfs/dbraw/zinc/65/80/84/626658084.db2.gz NRPYUZYCCAXTBD-ZDUSSCGKSA-N 1 1 265.357 1.763 20 5 CDBDMO C[N@H+]1CCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000915662043 631789520 /nfs/dbraw/zinc/78/95/20/631789520.db2.gz BKEGRQIGAMOCRW-JTQLQIEISA-N 1 1 289.291 1.285 20 5 CDBDMO COC(=O)c1ccc(OC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000916203281 631939626 /nfs/dbraw/zinc/93/96/26/631939626.db2.gz OFTIQNYVGTZNOF-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327224 1162337794 /nfs/dbraw/zinc/33/77/94/1162337794.db2.gz GABUKHKGASLTAY-WCQYABFASA-N 1 1 294.351 1.991 20 5 CDBDMO CC(C)[N@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366657 1167476079 /nfs/dbraw/zinc/47/60/79/1167476079.db2.gz OFGSCLNEAVFSOL-AWEZNQCLSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(C)[N@@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335366657 1167476081 /nfs/dbraw/zinc/47/60/81/1167476081.db2.gz OFGSCLNEAVFSOL-AWEZNQCLSA-N 1 1 281.356 1.558 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590696185 719249425 /nfs/dbraw/zinc/24/94/25/719249425.db2.gz HKFYNADNVJZKCR-BDAKNGLRSA-N 1 1 265.317 1.222 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466698 719184420 /nfs/dbraw/zinc/18/44/20/719184420.db2.gz JPNMURATBBXKGG-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466698 719184425 /nfs/dbraw/zinc/18/44/25/719184425.db2.gz JPNMURATBBXKGG-DTWKUNHWSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000126714990 790339617 /nfs/dbraw/zinc/33/96/17/790339617.db2.gz QMBSXWCSJRIZQQ-ZLDLUXBVSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000126714990 790339636 /nfs/dbraw/zinc/33/96/36/790339636.db2.gz QMBSXWCSJRIZQQ-ZLDLUXBVSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000928249654 790571377 /nfs/dbraw/zinc/57/13/77/790571377.db2.gz ULTOFUXMABZUAL-ZWNOBZJWSA-N 1 1 293.323 1.103 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000928249654 790571409 /nfs/dbraw/zinc/57/14/09/790571409.db2.gz ULTOFUXMABZUAL-ZWNOBZJWSA-N 1 1 293.323 1.103 20 5 CDBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000858322625 790892479 /nfs/dbraw/zinc/89/24/79/790892479.db2.gz CXZBVBMVHBYEER-MRVPVSSYSA-N 1 1 285.275 1.232 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000831020749 790950646 /nfs/dbraw/zinc/95/06/46/790950646.db2.gz VATRUQARXMDXNT-ZWNOBZJWSA-N 1 1 282.340 1.719 20 5 CDBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000817290472 791012846 /nfs/dbraw/zinc/01/28/46/791012846.db2.gz DAXOIYGRYNBXPO-HUUCEWRRSA-N 1 1 293.367 1.654 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886216173 791035575 /nfs/dbraw/zinc/03/55/75/791035575.db2.gz YOBIZMFKPFXBOL-JQWIXIFHSA-N 1 1 262.313 1.126 20 5 CDBDMO Cc1cc(Cc2noc(C3([NH3+])CC3)n2)ccc1[N+](=O)[O-] ZINC000843191504 789865204 /nfs/dbraw/zinc/86/52/04/789865204.db2.gz HGHUVLSORUGNTK-UHFFFAOYSA-N 1 1 274.280 1.825 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933464690 789912337 /nfs/dbraw/zinc/91/23/37/789912337.db2.gz KVZPBYGEAUZJII-SNVBAGLBSA-N 1 1 273.333 1.204 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933464690 789912338 /nfs/dbraw/zinc/91/23/38/789912338.db2.gz KVZPBYGEAUZJII-SNVBAGLBSA-N 1 1 273.333 1.204 20 5 CDBDMO O=C(Nc1ccccc1)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051369 790097609 /nfs/dbraw/zinc/09/76/09/790097609.db2.gz BSIGGXOXAZZPES-UHFFFAOYSA-N 1 1 292.339 1.549 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000173449651 791227299 /nfs/dbraw/zinc/22/72/99/791227299.db2.gz IQKUGIUWFNJQNL-LBPRGKRZSA-N 1 1 281.360 1.413 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286026 791335729 /nfs/dbraw/zinc/33/57/29/791335729.db2.gz JCWDMYQZOBNCLN-LLVKDONJSA-N 1 1 295.314 1.948 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCC2CC2)CC1 ZINC000996429755 791452809 /nfs/dbraw/zinc/45/28/09/791452809.db2.gz WIKTVIBITMJZKK-CHWSQXEVSA-N 1 1 281.356 1.032 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592166 791556352 /nfs/dbraw/zinc/55/63/52/791556352.db2.gz ZOURXEAJIIXAJJ-WHOFXGATSA-N 1 1 294.351 1.721 20 5 CDBDMO CCOC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177632944 791889231 /nfs/dbraw/zinc/88/92/31/791889231.db2.gz OKYNJSILXGJTKT-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177632944 791889233 /nfs/dbraw/zinc/88/92/33/791889233.db2.gz OKYNJSILXGJTKT-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000840358408 792203287 /nfs/dbraw/zinc/20/32/87/792203287.db2.gz AGDRGNNJPKKIIL-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCn2cc[nH+]c21 ZINC000931519600 792350754 /nfs/dbraw/zinc/35/07/54/792350754.db2.gz NVJJRNKKFCFUGZ-UHFFFAOYSA-N 1 1 262.244 1.951 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000882959915 792408755 /nfs/dbraw/zinc/40/87/55/792408755.db2.gz TXSLCLGLOMYITI-SNVBAGLBSA-N 1 1 250.302 1.683 20 5 CDBDMO CC[S@@](=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865533103 792535812 /nfs/dbraw/zinc/53/58/12/792535812.db2.gz WRUUEEPOGWJEIT-HXUWFJFHSA-N 1 1 293.348 1.745 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000820294319 792810435 /nfs/dbraw/zinc/81/04/35/792810435.db2.gz ARLJPDGZOKHMRE-NSHDSACASA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000820294319 792810436 /nfs/dbraw/zinc/81/04/36/792810436.db2.gz ARLJPDGZOKHMRE-NSHDSACASA-N 1 1 291.351 1.988 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000827696696 793088522 /nfs/dbraw/zinc/08/85/22/793088522.db2.gz MZQMHTVWCYWVNA-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000883152635 793176901 /nfs/dbraw/zinc/17/69/01/793176901.db2.gz BSEHZHFRTVFWCC-SNVBAGLBSA-N 1 1 296.302 1.950 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000443974543 794174047 /nfs/dbraw/zinc/17/40/47/794174047.db2.gz VLGYRVSBVKDLOC-JTQLQIEISA-N 1 1 290.327 1.446 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000840123115 794571253 /nfs/dbraw/zinc/57/12/53/794571253.db2.gz FZSPTXOJGDCJHA-ZJUUUORDSA-N 1 1 254.290 1.106 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000840123115 794571264 /nfs/dbraw/zinc/57/12/64/794571264.db2.gz FZSPTXOJGDCJHA-ZJUUUORDSA-N 1 1 254.290 1.106 20 5 CDBDMO CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886087625 794585688 /nfs/dbraw/zinc/58/56/88/794585688.db2.gz XQDKZYOIGSLZTE-LLVKDONJSA-N 1 1 264.329 1.516 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866882 795054819 /nfs/dbraw/zinc/05/48/19/795054819.db2.gz BPAYIKOKEPOYDJ-NEPJUHHUSA-N 1 1 280.328 1.416 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779866882 795054825 /nfs/dbraw/zinc/05/48/25/795054825.db2.gz BPAYIKOKEPOYDJ-NEPJUHHUSA-N 1 1 280.328 1.416 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000930553861 795163100 /nfs/dbraw/zinc/16/31/00/795163100.db2.gz YQKHXERLZQUOJP-NEPJUHHUSA-N 1 1 299.371 1.594 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000859970052 795222567 /nfs/dbraw/zinc/22/25/67/795222567.db2.gz NQBAKJACJDUOOC-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000878314985 796271345 /nfs/dbraw/zinc/27/13/45/796271345.db2.gz CBNPSUILWPVQMD-SECBINFHSA-N 1 1 292.261 1.984 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CO)C1 ZINC001173223519 912308637 /nfs/dbraw/zinc/30/86/37/912308637.db2.gz APXUHPGDKYRTDP-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CO)C1 ZINC001173223519 912308656 /nfs/dbraw/zinc/30/86/56/912308656.db2.gz APXUHPGDKYRTDP-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1[nH]c(=O)nc1C[NH3+] ZINC001173234515 912325296 /nfs/dbraw/zinc/32/52/96/912325296.db2.gz PDCIRWNIOPDNDR-MRVPVSSYSA-N 1 1 277.284 1.154 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cnc(Cl)cc2[N+](=O)[O-])C1 ZINC001167273040 895013689 /nfs/dbraw/zinc/01/36/89/895013689.db2.gz OAKWGNYCZFDMQM-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO Cc1c(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000922168673 921306892 /nfs/dbraw/zinc/30/68/92/921306892.db2.gz UPNBQULHWDFNIX-LBPRGKRZSA-N 1 1 292.339 1.407 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncncc1[N+](=O)[O-])C2 ZINC001228656747 907536422 /nfs/dbraw/zinc/53/64/22/907536422.db2.gz IYVYTTQMMVHDOW-MYJAWHEDSA-N 1 1 264.285 1.389 20 5 CDBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC ZINC000697915657 909576954 /nfs/dbraw/zinc/57/69/54/909576954.db2.gz HSWCWVCWUQDEAG-NSHDSACASA-N 1 1 285.731 1.862 20 5 CDBDMO C[N@@H+](C[C@@H](O)CO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904905 912036592 /nfs/dbraw/zinc/03/65/92/912036592.db2.gz PMESAVXSWIMOMB-DZGCQCFKSA-N 1 1 294.351 1.127 20 5 CDBDMO NCC[N@H+](CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900434 912036737 /nfs/dbraw/zinc/03/67/37/912036737.db2.gz UBHHHVHKKQXVET-AWEZNQCLSA-N 1 1 293.367 1.095 20 5 CDBDMO NCC[N@@H+](CCO)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900434 912036749 /nfs/dbraw/zinc/03/67/49/912036749.db2.gz UBHHHVHKKQXVET-AWEZNQCLSA-N 1 1 293.367 1.095 20 5 CDBDMO CCOC(=O)C(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975998 927560837 /nfs/dbraw/zinc/56/08/37/927560837.db2.gz YEQFOYLLWWJKJB-NXEZZACHSA-N 1 1 258.318 1.363 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961235 927581806 /nfs/dbraw/zinc/58/18/06/927581806.db2.gz IGTFWLBANBRXLU-ZJUUUORDSA-N 1 1 256.302 1.117 20 5 CDBDMO COCCCN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168974661 927598970 /nfs/dbraw/zinc/59/89/70/927598970.db2.gz SAIMQMOZTGZRTQ-HIFRSBDPSA-N 1 1 299.415 1.522 20 5 CDBDMO CC(C)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006438 927610836 /nfs/dbraw/zinc/61/08/36/927610836.db2.gz IFSSVUNJVVYSET-RYUDHWBXSA-N 1 1 257.378 1.880 20 5 CDBDMO O=C1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1F ZINC001169010624 927616135 /nfs/dbraw/zinc/61/61/35/927616135.db2.gz FGAVZWUVQFTFMX-HBNTYKKESA-N 1 1 258.293 1.435 20 5 CDBDMO Cc1nc(CC[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011261 927617502 /nfs/dbraw/zinc/61/75/02/927617502.db2.gz IZNGPZCDIKYGJJ-QWRGUYRKSA-N 1 1 268.317 1.298 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169034235 927641511 /nfs/dbraw/zinc/64/15/11/927641511.db2.gz GHFDXUOJYCXTLA-MBNYWOFBSA-N 1 1 284.356 1.707 20 5 CDBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033673 927642141 /nfs/dbraw/zinc/64/21/41/927642141.db2.gz DHZPEUIQASJJRO-SDDRHHMPSA-N 1 1 270.329 1.317 20 5 CDBDMO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038096 927647698 /nfs/dbraw/zinc/64/76/98/927647698.db2.gz VIAHNFWONLGGIB-QWRGUYRKSA-N 1 1 292.339 1.289 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3ncncc3C2)C1 ZINC001169038281 927649531 /nfs/dbraw/zinc/64/95/31/927649531.db2.gz XROUDOBYJWQGBJ-CMPLNLGQSA-N 1 1 262.313 1.280 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038321 927650718 /nfs/dbraw/zinc/65/07/18/927650718.db2.gz YCONIEFFOWVLLJ-JHJVBQTASA-N 1 1 284.356 1.707 20 5 CDBDMO CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169041003 927652889 /nfs/dbraw/zinc/65/28/89/927652889.db2.gz AJBOVLOMEJBHGS-MCIONIFRSA-N 1 1 283.372 1.375 20 5 CDBDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019153 927661084 /nfs/dbraw/zinc/66/10/84/927661084.db2.gz FABWJLSHXQUTFB-UMSGYPCISA-N 1 1 281.356 1.127 20 5 CDBDMO CC(C)(C)c1cnc(N[C@@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170898129 930693256 /nfs/dbraw/zinc/69/32/56/930693256.db2.gz LJNSCAKITZBBDO-LLVKDONJSA-N 1 1 281.360 1.723 20 5 CDBDMO CCOC(=O)c1ccc(N[C@@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170900488 930703253 /nfs/dbraw/zinc/70/32/53/930703253.db2.gz LQWWKDPPSOKJCN-GFCCVEGCSA-N 1 1 296.327 1.207 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159743911 930792463 /nfs/dbraw/zinc/79/24/63/930792463.db2.gz NOOCCCIQOIUNBV-MRVPVSSYSA-N 1 1 296.114 1.161 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001154931055 937606470 /nfs/dbraw/zinc/60/64/70/937606470.db2.gz JOGKTVQOMVUAKV-UHFFFAOYSA-N 1 1 289.295 1.006 20 5 CDBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC001123001608 936101762 /nfs/dbraw/zinc/10/17/62/936101762.db2.gz YGMXWSIFDNCGQO-NSHDSACASA-N 1 1 258.318 1.461 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001156648427 938400773 /nfs/dbraw/zinc/40/07/73/938400773.db2.gz PUNXSHGEXOERBL-QMMMGPOBSA-N 1 1 256.693 1.707 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001156648425 938400790 /nfs/dbraw/zinc/40/07/90/938400790.db2.gz PUNXSHGEXOERBL-MRVPVSSYSA-N 1 1 256.693 1.707 20 5 CDBDMO O=C(NCCC[NH2+]C/C(Cl)=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157767301 938543166 /nfs/dbraw/zinc/54/31/66/938543166.db2.gz KYZVQEPOUZECSR-XOPPAYCJSA-N 1 1 296.154 1.067 20 5 CDBDMO C[NH+]1CC2(CN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC001158859971 938671554 /nfs/dbraw/zinc/67/15/54/938671554.db2.gz UKBVZFJNZIVXQF-UHFFFAOYSA-N 1 1 268.704 1.395 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159784597 938752448 /nfs/dbraw/zinc/75/24/48/938752448.db2.gz JRDOEKOCBZKJRV-SSDOTTSWSA-N 1 1 259.697 1.079 20 5 CDBDMO COc1cnc(NC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001162221700 938963880 /nfs/dbraw/zinc/96/38/80/938963880.db2.gz SDBXYFZZRXRTCX-UHFFFAOYSA-N 1 1 280.328 1.893 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001165262602 939536192 /nfs/dbraw/zinc/53/61/92/939536192.db2.gz YCIKBVFUNVNUCX-JTQLQIEISA-N 1 1 298.318 1.511 20 5 CDBDMO Cn1cc(NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1=O ZINC001165279180 939539674 /nfs/dbraw/zinc/53/96/74/939539674.db2.gz QDUAVFNCHFUUNQ-NSHDSACASA-N 1 1 294.355 1.437 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666154 941897070 /nfs/dbraw/zinc/89/70/70/941897070.db2.gz GXONDMGDZIRDIW-MRVPVSSYSA-N 1 1 253.258 1.168 20 5 CDBDMO COc1cc(O[C@H]2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001226581523 942030379 /nfs/dbraw/zinc/03/03/79/942030379.db2.gz SRRFEHHBRSXOJA-JTQLQIEISA-N 1 1 281.312 1.862 20 5 CDBDMO CCOC(=O)c1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001230912641 942732532 /nfs/dbraw/zinc/73/25/32/942732532.db2.gz IKFRQWNONREBKT-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)n1 ZINC001234880273 943965652 /nfs/dbraw/zinc/96/56/52/943965652.db2.gz ZWRCQDJRCDRYMS-MRVPVSSYSA-N 1 1 253.258 1.081 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(OC2CC[NH+](CCF)CC2)n1 ZINC001234880263 943965750 /nfs/dbraw/zinc/96/57/50/943965750.db2.gz ZMBYCEYOGRUFFZ-UHFFFAOYSA-N 1 1 299.302 1.811 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cnc(C[NH3+])n1 ZINC001254539871 947517809 /nfs/dbraw/zinc/51/78/09/947517809.db2.gz KZFDWFSSYFGOSO-SECBINFHSA-N 1 1 261.285 1.449 20 5 CDBDMO NC1=C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC=C1 ZINC001254585766 947540035 /nfs/dbraw/zinc/54/00/35/947540035.db2.gz NYHDAEZETQLQRK-CQSZACIVSA-N 1 1 257.293 1.734 20 5 CDBDMO NC1=C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC=C1 ZINC001254585766 947540043 /nfs/dbraw/zinc/54/00/43/947540043.db2.gz NYHDAEZETQLQRK-CQSZACIVSA-N 1 1 257.293 1.734 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001254595439 947547029 /nfs/dbraw/zinc/54/70/29/947547029.db2.gz XJCOLOAAUQBBOW-RRFJBIMHSA-N 1 1 274.320 1.925 20 5 CDBDMO Cn1ncc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602586 947553800 /nfs/dbraw/zinc/55/38/00/947553800.db2.gz GQYKMNXPZYMURD-AWEZNQCLSA-N 1 1 284.319 1.811 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254602586 947553804 /nfs/dbraw/zinc/55/38/04/947553804.db2.gz GQYKMNXPZYMURD-AWEZNQCLSA-N 1 1 284.319 1.811 20 5 CDBDMO C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001246080061 947931978 /nfs/dbraw/zinc/93/19/78/947931978.db2.gz MUTWFIORBVQKPJ-LEWSCRJBSA-N 1 1 275.352 1.792 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327054374 954680532 /nfs/dbraw/zinc/68/05/32/954680532.db2.gz SYIFYYWBQKTCKV-CQSZACIVSA-N 1 1 279.340 1.223 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)OCCO1 ZINC001308333842 956516076 /nfs/dbraw/zinc/51/60/76/956516076.db2.gz RTANXWRBQILPKU-UHFFFAOYSA-N 1 1 296.323 1.846 20 5 CDBDMO Cc1c([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cnn1C ZINC001337584622 961290231 /nfs/dbraw/zinc/29/02/31/961290231.db2.gz CTXDGMSLOWXNGM-VIFPVBQESA-N 1 1 275.312 1.883 20 5 CDBDMO CC(C)(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200473000 968289221 /nfs/dbraw/zinc/28/92/21/968289221.db2.gz XJIHEDAXGXGGET-CHWSQXEVSA-N 1 1 297.399 1.668 20 5 CDBDMO Cn1cc[nH+]c1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001354012920 968408589 /nfs/dbraw/zinc/40/85/89/968408589.db2.gz ZJYHPWHIXZWJNU-UHFFFAOYSA-N 1 1 298.306 1.926 20 5 CDBDMO Cc1ccnc(N2CC([N@H+](C)[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001158725427 1163490753 /nfs/dbraw/zinc/49/07/53/1163490753.db2.gz JTMRILPUBGEFJJ-NSHDSACASA-N 1 1 292.339 1.208 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C(C)(C)C1 ZINC000601187078 342489420 /nfs/dbraw/zinc/48/94/20/342489420.db2.gz NKOXTMSEKGHOLH-UHFFFAOYSA-N 1 1 281.360 1.650 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000588016740 342490691 /nfs/dbraw/zinc/49/06/91/342490691.db2.gz XGOIIAITPVNHCJ-SNVBAGLBSA-N 1 1 281.287 1.255 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000588016740 342490692 /nfs/dbraw/zinc/49/06/92/342490692.db2.gz XGOIIAITPVNHCJ-SNVBAGLBSA-N 1 1 281.287 1.255 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCOC1 ZINC000131913005 341992355 /nfs/dbraw/zinc/99/23/55/341992355.db2.gz ZKCOYTMAEMELOH-GFCCVEGCSA-N 1 1 295.339 1.115 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])s3)C[C@H]2C1 ZINC000618686189 349508586 /nfs/dbraw/zinc/50/85/86/349508586.db2.gz XVDPIYXCNKXVAY-DTORHVGOSA-N 1 1 253.327 1.654 20 5 CDBDMO COc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609200978 342096181 /nfs/dbraw/zinc/09/61/81/342096181.db2.gz PMMMKFZYWUIKIS-NSHDSACASA-N 1 1 293.323 1.171 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063317 342614804 /nfs/dbraw/zinc/61/48/04/342614804.db2.gz OVKSQLXRFXXAFT-CYBMUJFWSA-N 1 1 291.351 1.879 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000591152885 342619840 /nfs/dbraw/zinc/61/98/40/342619840.db2.gz UVOYAXMFIHTEHM-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000591152885 342619841 /nfs/dbraw/zinc/61/98/41/342619841.db2.gz UVOYAXMFIHTEHM-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CCOC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000594049569 342865082 /nfs/dbraw/zinc/86/50/82/342865082.db2.gz AYVOEADDYANOKS-UHFFFAOYSA-N 1 1 298.343 1.455 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065457 342870117 /nfs/dbraw/zinc/87/01/17/342870117.db2.gz PQTZPKRIOJTQMM-VIFPVBQESA-N 1 1 293.323 1.039 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000594065457 342870118 /nfs/dbraw/zinc/87/01/18/342870118.db2.gz PQTZPKRIOJTQMM-VIFPVBQESA-N 1 1 293.323 1.039 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COCCN1 ZINC000600677060 342241964 /nfs/dbraw/zinc/24/19/64/342241964.db2.gz AWABPRRRWZVFAW-LBPRGKRZSA-N 1 1 295.339 1.072 20 5 CDBDMO Cc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000594927149 342974023 /nfs/dbraw/zinc/97/40/23/342974023.db2.gz YIBNDTUMYIBENI-UHFFFAOYSA-N 1 1 260.297 1.927 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303863 349734186 /nfs/dbraw/zinc/73/41/86/349734186.db2.gz OEQXNOXSCOOKAB-JTQLQIEISA-N 1 1 279.296 1.402 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268880 342320293 /nfs/dbraw/zinc/32/02/93/342320293.db2.gz MMEHOIUJDRFNHO-VHSXEESVSA-N 1 1 294.359 1.499 20 5 CDBDMO CO[C@@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468123 343072312 /nfs/dbraw/zinc/07/23/12/343072312.db2.gz JGVFSXRDTIHAGD-LBPRGKRZSA-N 1 1 269.301 1.892 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595468123 343072314 /nfs/dbraw/zinc/07/23/14/343072314.db2.gz JGVFSXRDTIHAGD-LBPRGKRZSA-N 1 1 269.301 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000595499899 343078094 /nfs/dbraw/zinc/07/80/94/343078094.db2.gz HEZWVAAZVYZIQB-NSHDSACASA-N 1 1 281.312 1.771 20 5 CDBDMO C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000596079050 343227271 /nfs/dbraw/zinc/22/72/71/343227271.db2.gz XIFBBOKBIMUWSC-MNOVXSKESA-N 1 1 293.371 1.526 20 5 CDBDMO CNC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654662 343372113 /nfs/dbraw/zinc/37/21/13/343372113.db2.gz LHSUXDJNTNNSMF-TUAOUCFPSA-N 1 1 281.360 1.473 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000093343112 342422497 /nfs/dbraw/zinc/42/24/97/342422497.db2.gz CHIYXVZFYJCAAW-CABZTGNLSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000093343112 342422498 /nfs/dbraw/zinc/42/24/98/342422498.db2.gz CHIYXVZFYJCAAW-CABZTGNLSA-N 1 1 291.307 1.939 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000140211733 342434135 /nfs/dbraw/zinc/43/41/35/342434135.db2.gz HORYOOFYVSLPQR-UHFFFAOYSA-N 1 1 251.286 1.875 20 5 CDBDMO CNC(=O)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000597249960 343498813 /nfs/dbraw/zinc/49/88/13/343498813.db2.gz OZLKHTKVBZHQKY-YRNVUSSQSA-N 1 1 277.324 1.676 20 5 CDBDMO CNC(=O)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000597249960 343498817 /nfs/dbraw/zinc/49/88/17/343498817.db2.gz OZLKHTKVBZHQKY-YRNVUSSQSA-N 1 1 277.324 1.676 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645359 343855633 /nfs/dbraw/zinc/85/56/33/343855633.db2.gz HVSCVSQZSSQVSA-CHWSQXEVSA-N 1 1 294.351 1.924 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176384 343966063 /nfs/dbraw/zinc/96/60/63/343966063.db2.gz SFXCIUXLKHKSES-SNVBAGLBSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176333 343966097 /nfs/dbraw/zinc/96/60/97/343966097.db2.gz RDNIUMDZPPOYQY-SECBINFHSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176333 343966098 /nfs/dbraw/zinc/96/60/98/343966098.db2.gz RDNIUMDZPPOYQY-SECBINFHSA-N 1 1 285.731 1.727 20 5 CDBDMO CO[C@@]1(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602439710 344417761 /nfs/dbraw/zinc/41/77/61/344417761.db2.gz LOKLKMWWWXXGJY-CQSZACIVSA-N 1 1 280.324 1.832 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778707 344594815 /nfs/dbraw/zinc/59/48/15/344594815.db2.gz NJMFJEBKIQOUBO-GFCCVEGCSA-N 1 1 282.344 1.458 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000602764222 344584684 /nfs/dbraw/zinc/58/46/84/344584684.db2.gz VELATNYPHFNMLN-LBPRGKRZSA-N 1 1 294.355 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C)CC1 ZINC000602818297 344608056 /nfs/dbraw/zinc/60/80/56/344608056.db2.gz CZNXXBOSVTYLDD-JTQLQIEISA-N 1 1 284.385 1.927 20 5 CDBDMO CC1(C)[C@H]([NH3+])C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000603435282 344808700 /nfs/dbraw/zinc/80/87/00/344808700.db2.gz XIHCSWHEDWPNQK-CHWSQXEVSA-N 1 1 279.340 1.689 20 5 CDBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213909 362555946 /nfs/dbraw/zinc/55/59/46/362555946.db2.gz OLQQFOZVYXZLSI-YPMHNXCESA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000344241509 362558166 /nfs/dbraw/zinc/55/81/66/362558166.db2.gz WGIJMQJTKHURLU-VIFPVBQESA-N 1 1 295.314 1.946 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609570154 345812319 /nfs/dbraw/zinc/81/23/19/345812319.db2.gz KLLAXGARKYYDCU-UHFFFAOYSA-N 1 1 282.344 1.395 20 5 CDBDMO NC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610581633 346318940 /nfs/dbraw/zinc/31/89/40/346318940.db2.gz DYSLOXRBPKKQPX-QMMMGPOBSA-N 1 1 290.279 1.043 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cn[nH]c3)C2)nc1 ZINC000611272519 346732303 /nfs/dbraw/zinc/73/23/03/346732303.db2.gz WBBNMOJRXVSLCF-NSHDSACASA-N 1 1 288.311 1.399 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000066140096 347478473 /nfs/dbraw/zinc/47/84/73/347478473.db2.gz LQGUWLUVMYPBBT-MRVPVSSYSA-N 1 1 283.332 1.086 20 5 CDBDMO Cc1cc(NC[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000092026789 180308624 /nfs/dbraw/zinc/30/86/24/180308624.db2.gz PXEHUHUFVRDUKS-SNVBAGLBSA-N 1 1 250.302 1.662 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106483274 186119971 /nfs/dbraw/zinc/11/99/71/186119971.db2.gz URSROAPDRVXSKF-ZDUSSCGKSA-N 1 1 292.383 1.951 20 5 CDBDMO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174847784 365974721 /nfs/dbraw/zinc/97/47/21/365974721.db2.gz XUAHMXIBEQUGID-QMMMGPOBSA-N 1 1 283.715 1.555 20 5 CDBDMO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174847784 365974726 /nfs/dbraw/zinc/97/47/26/365974726.db2.gz XUAHMXIBEQUGID-QMMMGPOBSA-N 1 1 283.715 1.555 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000110816059 186326118 /nfs/dbraw/zinc/32/61/18/186326118.db2.gz MGUFCMROQFIDFP-UHFFFAOYSA-N 1 1 292.339 1.345 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663759 350705691 /nfs/dbraw/zinc/70/56/91/350705691.db2.gz OHGNNLPBQOEFQO-SECBINFHSA-N 1 1 265.317 1.326 20 5 CDBDMO Nc1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000313077830 350815352 /nfs/dbraw/zinc/81/53/52/350815352.db2.gz WMTKCDOPDOEWHJ-SECBINFHSA-N 1 1 277.328 1.468 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000079768458 350967678 /nfs/dbraw/zinc/96/76/78/350967678.db2.gz UDMHADOAYGQQTC-ZDUSSCGKSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[C@H](C(N)=O)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282351535 351535441 /nfs/dbraw/zinc/53/54/41/351535441.db2.gz COGXCRLMDYKNDK-GFCCVEGCSA-N 1 1 265.313 1.333 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445811970 282773556 /nfs/dbraw/zinc/77/35/56/282773556.db2.gz UQZZEAAJWBXGFJ-ZDUSSCGKSA-N 1 1 287.323 1.964 20 5 CDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000122615388 187041264 /nfs/dbraw/zinc/04/12/64/187041264.db2.gz UPDWYDZJAYOLCM-RYUDHWBXSA-N 1 1 279.340 1.734 20 5 CDBDMO CC[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000135423079 358474284 /nfs/dbraw/zinc/47/42/84/358474284.db2.gz LZFNMFGGYFJAPW-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc[nH+]1 ZINC000360281724 356968661 /nfs/dbraw/zinc/96/86/61/356968661.db2.gz BWEMEFLFCKCCHJ-UHFFFAOYSA-N 1 1 275.268 1.636 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000264520295 357355770 /nfs/dbraw/zinc/35/57/70/357355770.db2.gz ZWHPMNDJXSWEGO-GFCCVEGCSA-N 1 1 293.371 1.346 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COC[C@H]1OC ZINC000566185856 357426601 /nfs/dbraw/zinc/42/66/01/357426601.db2.gz WYTUKRAIEJBKMP-DGCLKSJQSA-N 1 1 282.296 1.107 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000126345769 357598322 /nfs/dbraw/zinc/59/83/22/357598322.db2.gz AWVUKRYYTMJDBG-UHFFFAOYSA-N 1 1 267.329 1.975 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000360984218 357763960 /nfs/dbraw/zinc/76/39/60/357763960.db2.gz INTLHASKURTKFE-LLVKDONJSA-N 1 1 281.360 1.650 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)CN1C ZINC000408069223 357804638 /nfs/dbraw/zinc/80/46/38/357804638.db2.gz KJLMXLDEWHORGH-NXEZZACHSA-N 1 1 293.323 1.465 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952357 283337340 /nfs/dbraw/zinc/33/73/40/283337340.db2.gz JCYGJAOPHJUPQB-QKCSRTOESA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952357 283337345 /nfs/dbraw/zinc/33/73/45/283337345.db2.gz JCYGJAOPHJUPQB-QKCSRTOESA-N 1 1 289.335 1.681 20 5 CDBDMO C[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581596 358665862 /nfs/dbraw/zinc/66/58/62/358665862.db2.gz HDDNINNHMZTCOS-MNOVXSKESA-N 1 1 265.313 1.487 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000567474488 358685784 /nfs/dbraw/zinc/68/57/84/358685784.db2.gz GMNRDBITYDECHN-UHFFFAOYSA-N 1 1 280.328 1.917 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000110560032 359133879 /nfs/dbraw/zinc/13/38/79/359133879.db2.gz KNHQVLFFTXLEEC-UHFFFAOYSA-N 1 1 297.330 1.892 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755614 359611383 /nfs/dbraw/zinc/61/13/83/359611383.db2.gz NKLAXOVLBZIEQP-JTQLQIEISA-N 1 1 286.303 1.734 20 5 CDBDMO C[C@@H]1CCCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408341774 359668503 /nfs/dbraw/zinc/66/85/03/359668503.db2.gz SWVXZPOPHSAZMM-SNVBAGLBSA-N 1 1 252.318 1.950 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177983983 189083056 /nfs/dbraw/zinc/08/30/56/189083056.db2.gz ONLGXJJAWYSRDI-IINYFYTJSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(O)C1 ZINC000177983983 189083057 /nfs/dbraw/zinc/08/30/57/189083057.db2.gz ONLGXJJAWYSRDI-IINYFYTJSA-N 1 1 293.323 1.379 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000179194751 189176350 /nfs/dbraw/zinc/17/63/50/189176350.db2.gz OSUUFIPQEQFXJP-UHFFFAOYSA-N 1 1 265.313 1.631 20 5 CDBDMO COC(C[N@H+](CCCO)Cc1cccc([N+](=O)[O-])c1)OC ZINC000180644306 189267459 /nfs/dbraw/zinc/26/74/59/189267459.db2.gz HDXLKGJIGDQZSQ-UHFFFAOYSA-N 1 1 298.339 1.398 20 5 CDBDMO COC(C[N@@H+](CCCO)Cc1cccc([N+](=O)[O-])c1)OC ZINC000180644306 189267460 /nfs/dbraw/zinc/26/74/60/189267460.db2.gz HDXLKGJIGDQZSQ-UHFFFAOYSA-N 1 1 298.339 1.398 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773191 361164299 /nfs/dbraw/zinc/16/42/99/361164299.db2.gz XMKIIXXUUAKWCO-QWRGUYRKSA-N 1 1 264.329 1.766 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306827 361286101 /nfs/dbraw/zinc/28/61/01/361286101.db2.gz AWRLCGGKMICFLH-LLVKDONJSA-N 1 1 277.324 1.601 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581023313 363962330 /nfs/dbraw/zinc/96/23/30/363962330.db2.gz XCWOLQDFSFWWJP-NSHDSACASA-N 1 1 285.369 1.783 20 5 CDBDMO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000137171890 364067471 /nfs/dbraw/zinc/06/74/71/364067471.db2.gz QFVWTOLOAKIPBZ-JTQLQIEISA-N 1 1 295.343 1.170 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139022 364332091 /nfs/dbraw/zinc/33/20/91/364332091.db2.gz KAXCTVQOXIAYDG-KOLCDFICSA-N 1 1 262.313 1.884 20 5 CDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456363270 364279018 /nfs/dbraw/zinc/27/90/18/364279018.db2.gz XHLCRQCDPSKNJO-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000456363270 364279021 /nfs/dbraw/zinc/27/90/21/364279021.db2.gz XHLCRQCDPSKNJO-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000271025499 366957866 /nfs/dbraw/zinc/95/78/66/366957866.db2.gz WHOQGDVSBSUXHQ-GFCCVEGCSA-N 1 1 250.298 1.860 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639749 367598640 /nfs/dbraw/zinc/59/86/40/367598640.db2.gz DTFUKAHUTALXCQ-QWHCGFSZSA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639749 367598642 /nfs/dbraw/zinc/59/86/42/367598642.db2.gz DTFUKAHUTALXCQ-QWHCGFSZSA-N 1 1 266.297 1.095 20 5 CDBDMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272555168 367768223 /nfs/dbraw/zinc/76/82/23/367768223.db2.gz HTOMUWDJNQPZEA-NSHDSACASA-N 1 1 293.323 1.515 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272555168 367768227 /nfs/dbraw/zinc/76/82/27/367768227.db2.gz HTOMUWDJNQPZEA-NSHDSACASA-N 1 1 293.323 1.515 20 5 CDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CC[N@@H+](C)CC1 ZINC000272635276 367785788 /nfs/dbraw/zinc/78/57/88/367785788.db2.gz BVYUJJNYLJIFQO-SECBINFHSA-N 1 1 279.296 1.568 20 5 CDBDMO CCc1nn(C)c(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420636984 244303125 /nfs/dbraw/zinc/30/31/25/244303125.db2.gz OCGUXULFWPLNFD-JTQLQIEISA-N 1 1 281.360 1.421 20 5 CDBDMO CC[C@@H](O)C[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266200038 370983789 /nfs/dbraw/zinc/98/37/89/370983789.db2.gz JBXLRSAFFWHLEE-GFCCVEGCSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295204163 369617043 /nfs/dbraw/zinc/61/70/43/369617043.db2.gz KPGWCRWKZNJTMS-CQSZACIVSA-N 1 1 295.314 1.677 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669497 369786106 /nfs/dbraw/zinc/78/61/06/369786106.db2.gz JCEHBKQSLCFWFX-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO C[C@H]1CCNC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796565 245266212 /nfs/dbraw/zinc/26/62/12/245266212.db2.gz YNBWHKMBYPZLCF-AAEUAGOBSA-N 1 1 263.341 1.725 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367987228 371271022 /nfs/dbraw/zinc/27/10/22/371271022.db2.gz DQURAVMNDLYLDL-SNVBAGLBSA-N 1 1 293.323 1.301 20 5 CDBDMO COc1cc(C[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000130727263 373504283 /nfs/dbraw/zinc/50/42/83/373504283.db2.gz ATOTTYRYACLYIQ-VIFPVBQESA-N 1 1 284.312 1.425 20 5 CDBDMO COc1cc(C[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000130727263 373504292 /nfs/dbraw/zinc/50/42/92/373504292.db2.gz ATOTTYRYACLYIQ-VIFPVBQESA-N 1 1 284.312 1.425 20 5 CDBDMO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000274026854 374070638 /nfs/dbraw/zinc/07/06/38/374070638.db2.gz NIUSYQAGUSJMMU-JTQLQIEISA-N 1 1 291.311 1.453 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420951062 374307180 /nfs/dbraw/zinc/30/71/80/374307180.db2.gz GWOPJZHJJVLEBW-GFCCVEGCSA-N 1 1 293.323 1.314 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420951062 374307189 /nfs/dbraw/zinc/30/71/89/374307189.db2.gz GWOPJZHJJVLEBW-GFCCVEGCSA-N 1 1 293.323 1.314 20 5 CDBDMO C[C@H]1c2nncn2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000276769329 374746474 /nfs/dbraw/zinc/74/64/74/374746474.db2.gz HUKSUVOGANZZGB-NSHDSACASA-N 1 1 287.323 1.806 20 5 CDBDMO C[C@H]1c2nncn2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000276769329 374746483 /nfs/dbraw/zinc/74/64/83/374746483.db2.gz HUKSUVOGANZZGB-NSHDSACASA-N 1 1 287.323 1.806 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276985098 374765245 /nfs/dbraw/zinc/76/52/45/374765245.db2.gz ZVXRNKGAEMZHIS-BETUJISGSA-N 1 1 266.297 1.440 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276985098 374765249 /nfs/dbraw/zinc/76/52/49/374765249.db2.gz ZVXRNKGAEMZHIS-BETUJISGSA-N 1 1 266.297 1.440 20 5 CDBDMO CO[C@@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330982228 374877017 /nfs/dbraw/zinc/87/70/17/374877017.db2.gz JWYLAHZOYKMBFZ-LBPRGKRZSA-N 1 1 268.317 1.329 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330982228 374877025 /nfs/dbraw/zinc/87/70/25/374877025.db2.gz JWYLAHZOYKMBFZ-LBPRGKRZSA-N 1 1 268.317 1.329 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246086 374914456 /nfs/dbraw/zinc/91/44/56/374914456.db2.gz MCHRFLQFUKGXMN-CHWSQXEVSA-N 1 1 282.344 1.273 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280411604 374994496 /nfs/dbraw/zinc/99/44/96/374994496.db2.gz YNLMBMXUQWUQGF-CQSZACIVSA-N 1 1 293.323 1.301 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332468207 375031703 /nfs/dbraw/zinc/03/17/03/375031703.db2.gz MHAKKXFBYUWJLE-UHFFFAOYSA-N 1 1 250.298 1.592 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283521612 375116932 /nfs/dbraw/zinc/11/69/32/375116932.db2.gz FJTJTCKHGNIYCZ-UHFFFAOYSA-N 1 1 296.302 1.094 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1(O)CCCC1 ZINC000162211310 375295540 /nfs/dbraw/zinc/29/55/40/375295540.db2.gz XYDKBNFIAIVIET-UHFFFAOYSA-N 1 1 282.344 1.337 20 5 CDBDMO COCC[C@@H](CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601160065 375391967 /nfs/dbraw/zinc/39/19/67/375391967.db2.gz QYRUVOUGARLZNH-JTQLQIEISA-N 1 1 291.307 1.374 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000226930996 375406524 /nfs/dbraw/zinc/40/65/24/375406524.db2.gz WGBNXMNSGMBOOO-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CCOc1cc(C[N@H+](C)[C@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352792545 375538678 /nfs/dbraw/zinc/53/86/78/375538678.db2.gz MGSMRLOCQDPLDC-QWHCGFSZSA-N 1 1 296.323 1.185 20 5 CDBDMO CCOc1cc(C[N@@H+](C)[C@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352792545 375538680 /nfs/dbraw/zinc/53/86/80/375538680.db2.gz MGSMRLOCQDPLDC-QWHCGFSZSA-N 1 1 296.323 1.185 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000293971060 375546635 /nfs/dbraw/zinc/54/66/35/375546635.db2.gz LYZIUVRGVPPDSW-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293971060 375546639 /nfs/dbraw/zinc/54/66/39/375546639.db2.gz LYZIUVRGVPPDSW-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO CC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083419 375549093 /nfs/dbraw/zinc/54/90/93/375549093.db2.gz NDFXUNQHVWRKDR-CMPLNLGQSA-N 1 1 280.328 1.247 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426459232 247029143 /nfs/dbraw/zinc/02/91/43/247029143.db2.gz JVHADCJECVPPSH-JQWIXIFHSA-N 1 1 250.302 1.666 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426456718 247029337 /nfs/dbraw/zinc/02/93/37/247029337.db2.gz WJNOHIBICUXODZ-WCQYABFASA-N 1 1 277.324 1.631 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426473245 247030878 /nfs/dbraw/zinc/03/08/78/247030878.db2.gz DOFNAKXWZPNTMO-CYZMBNFOSA-N 1 1 280.328 1.027 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230683684 375634341 /nfs/dbraw/zinc/63/43/41/375634341.db2.gz SXXHNJMNYZPIFT-UHFFFAOYSA-N 1 1 295.343 1.032 20 5 CDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])cn2)[nH+]1 ZINC000354558928 375725467 /nfs/dbraw/zinc/72/54/67/375725467.db2.gz BVFXIXUCACUIIS-UHFFFAOYSA-N 1 1 274.284 1.034 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849035 375801899 /nfs/dbraw/zinc/80/18/99/375801899.db2.gz SXXJKIDZIMJBDQ-MNOVXSKESA-N 1 1 268.317 1.027 20 5 CDBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156249 247995713 /nfs/dbraw/zinc/99/57/13/247995713.db2.gz IORGERNXTLXMBR-HNNXBMFYSA-N 1 1 296.367 1.855 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c(F)c1 ZINC000267075206 376987987 /nfs/dbraw/zinc/98/79/87/376987987.db2.gz WTWQPQYVWPQGBP-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c(F)c1 ZINC000267075206 376987999 /nfs/dbraw/zinc/98/79/99/376987999.db2.gz WTWQPQYVWPQGBP-ZDUSSCGKSA-N 1 1 298.314 1.707 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173530809 378525985 /nfs/dbraw/zinc/52/59/85/378525985.db2.gz OQGUQUFXEHSFNZ-GFCCVEGCSA-N 1 1 268.317 1.025 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000278577619 194053485 /nfs/dbraw/zinc/05/34/85/194053485.db2.gz KZNSTSBRLZAWRN-UHFFFAOYSA-N 1 1 295.343 1.048 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000278577619 194053488 /nfs/dbraw/zinc/05/34/88/194053488.db2.gz KZNSTSBRLZAWRN-UHFFFAOYSA-N 1 1 295.343 1.048 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000278577619 194053491 /nfs/dbraw/zinc/05/34/91/194053491.db2.gz KZNSTSBRLZAWRN-UHFFFAOYSA-N 1 1 295.343 1.048 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173799754 379240233 /nfs/dbraw/zinc/24/02/33/379240233.db2.gz UUFGMPFUXBFECS-JTQLQIEISA-N 1 1 284.312 1.295 20 5 CDBDMO C[N@@H+](C[C@@H](O)CN1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000289309301 197292430 /nfs/dbraw/zinc/29/24/30/197292430.db2.gz DUHQGYSDYKADOC-GFCCVEGCSA-N 1 1 291.351 1.412 20 5 CDBDMO Cc1cc(NCCC[N@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000289217874 197266388 /nfs/dbraw/zinc/26/63/88/197266388.db2.gz YYURSKDRZKXLBJ-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO Cc1cc(NCCCN(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000289217874 197266390 /nfs/dbraw/zinc/26/63/90/197266390.db2.gz YYURSKDRZKXLBJ-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO CC[N@H+]1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000286507806 390381263 /nfs/dbraw/zinc/38/12/63/390381263.db2.gz YSJYGKCWXLUIBA-SECBINFHSA-N 1 1 295.368 1.834 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000338721974 390666989 /nfs/dbraw/zinc/66/69/89/390666989.db2.gz BROMGEMZXRQXOJ-KGLIPLIRSA-N 1 1 293.323 1.123 20 5 CDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000408397435 390925060 /nfs/dbraw/zinc/92/50/60/390925060.db2.gz VIZSRPVKDCUDFN-UHFFFAOYSA-N 1 1 295.343 1.219 20 5 CDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000408397435 390925061 /nfs/dbraw/zinc/92/50/61/390925061.db2.gz VIZSRPVKDCUDFN-UHFFFAOYSA-N 1 1 295.343 1.219 20 5 CDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000408397435 390925062 /nfs/dbraw/zinc/92/50/62/390925062.db2.gz VIZSRPVKDCUDFN-UHFFFAOYSA-N 1 1 295.343 1.219 20 5 CDBDMO Cc1cnc(N2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989228 391334861 /nfs/dbraw/zinc/33/48/61/391334861.db2.gz NXSOHWRIEVMYDN-GFCCVEGCSA-N 1 1 294.355 1.191 20 5 CDBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346215 130087278 /nfs/dbraw/zinc/08/72/78/130087278.db2.gz QJDXIJPGNHCMEH-DGCLKSJQSA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190430826 130103681 /nfs/dbraw/zinc/10/36/81/130103681.db2.gz ADVGSFHOMLWNFL-DGCLKSJQSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000549636859 392597903 /nfs/dbraw/zinc/59/79/03/392597903.db2.gz HCHMSFSROOSAGJ-NSHDSACASA-N 1 1 281.360 1.650 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717183 392722050 /nfs/dbraw/zinc/72/20/50/392722050.db2.gz KUIZWLDHNFPYGW-NWDGAFQWSA-N 1 1 280.324 1.676 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000269302139 132152154 /nfs/dbraw/zinc/15/21/54/132152154.db2.gz XZSKTHOUTIKPKK-RKDXNWHRSA-N 1 1 295.343 1.080 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(C)(C)[NH3+] ZINC000423286842 392960097 /nfs/dbraw/zinc/96/00/97/392960097.db2.gz JCBKXNACZXUZLM-JTQLQIEISA-N 1 1 251.330 1.853 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N ZINC000423286842 392960099 /nfs/dbraw/zinc/96/00/99/392960099.db2.gz JCBKXNACZXUZLM-JTQLQIEISA-N 1 1 251.330 1.853 20 5 CDBDMO C[N@@H+](CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000430103431 393090768 /nfs/dbraw/zinc/09/07/68/393090768.db2.gz PVYSQIFLIOTSMM-UHFFFAOYSA-N 1 1 287.319 1.889 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(O)CCC1 ZINC000430224351 393095095 /nfs/dbraw/zinc/09/50/95/393095095.db2.gz JPJUTGHNYBJFBZ-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CC=CCC2)s1 ZINC000281913198 393163217 /nfs/dbraw/zinc/16/32/17/393163217.db2.gz NNAPCOUJLXLVFA-UHFFFAOYSA-N 1 1 254.315 1.725 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)s1 ZINC000281913198 393163222 /nfs/dbraw/zinc/16/32/22/393163222.db2.gz NNAPCOUJLXLVFA-UHFFFAOYSA-N 1 1 254.315 1.725 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCC1=O ZINC000285368278 393196000 /nfs/dbraw/zinc/19/60/00/393196000.db2.gz QTRMFZPIGKQECS-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000350597427 393199804 /nfs/dbraw/zinc/19/98/04/393199804.db2.gz KIDJTADXMBTMKI-JTQLQIEISA-N 1 1 295.343 1.262 20 5 CDBDMO CNc1c(C(=O)N2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000231523075 140216159 /nfs/dbraw/zinc/21/61/59/140216159.db2.gz ANQHGOUWKXSDMK-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000231523075 140216160 /nfs/dbraw/zinc/21/61/60/140216160.db2.gz ANQHGOUWKXSDMK-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000343887111 152340450 /nfs/dbraw/zinc/34/04/50/152340450.db2.gz MGFYZCATEDUGMY-UHFFFAOYSA-N 1 1 298.343 1.455 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000344008269 152386989 /nfs/dbraw/zinc/38/69/89/152386989.db2.gz AMERUHZZVRDUER-CQDKDKBSSA-N 1 1 292.335 1.676 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349614237 154154889 /nfs/dbraw/zinc/15/48/89/154154889.db2.gz SQGXFPXSYXTUME-UHFFFAOYSA-N 1 1 287.732 1.691 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000354004993 156218460 /nfs/dbraw/zinc/21/84/60/156218460.db2.gz DJQNNHHKLNTMAR-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618955 159334277 /nfs/dbraw/zinc/33/42/77/159334277.db2.gz GBIKYIODKKXGMD-CHWSQXEVSA-N 1 1 289.335 1.951 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374412282 160283917 /nfs/dbraw/zinc/28/39/17/160283917.db2.gz RCHOPMVJMKFNMZ-GHMZBOCLSA-N 1 1 280.328 1.187 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040623756 174355367 /nfs/dbraw/zinc/35/53/67/174355367.db2.gz KOWCGONNLGQQIU-SNVBAGLBSA-N 1 1 265.317 1.527 20 5 CDBDMO Cc1c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719862 270601781 /nfs/dbraw/zinc/60/17/81/270601781.db2.gz NQURVYQCBRRUOQ-LLVKDONJSA-N 1 1 291.351 1.975 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000263716660 276130341 /nfs/dbraw/zinc/13/03/41/276130341.db2.gz LAOJMAPKFLCZBM-UHFFFAOYSA-N 1 1 277.324 1.809 20 5 CDBDMO CNCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242847 277272579 /nfs/dbraw/zinc/27/25/79/277272579.db2.gz JKKNELRIMUIFHP-QWRGUYRKSA-N 1 1 267.333 1.084 20 5 CDBDMO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000133895588 278338971 /nfs/dbraw/zinc/33/89/71/278338971.db2.gz UJYUSHFDDLARDS-UHFFFAOYSA-N 1 1 265.313 1.681 20 5 CDBDMO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000133895588 278338973 /nfs/dbraw/zinc/33/89/73/278338973.db2.gz UJYUSHFDDLARDS-UHFFFAOYSA-N 1 1 265.313 1.681 20 5 CDBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550553 279079148 /nfs/dbraw/zinc/07/91/48/279079148.db2.gz QZJWYOVAPZAXET-NWDGAFQWSA-N 1 1 279.340 1.877 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185181990 279921949 /nfs/dbraw/zinc/92/19/49/279921949.db2.gz YTWBVUJILMMRHR-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194739426 280052627 /nfs/dbraw/zinc/05/26/27/280052627.db2.gz LDAHEHODZNMBGG-GFCCVEGCSA-N 1 1 263.297 1.419 20 5 CDBDMO CCOc1cc([N+](=O)[O-])c(-c2nc(C[NH3+])no2)cc1OC ZINC000563118225 293280934 /nfs/dbraw/zinc/28/09/34/293280934.db2.gz MVLNQNFQVXFOLB-UHFFFAOYSA-N 1 1 294.267 1.511 20 5 CDBDMO CN1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967096 1161996376 /nfs/dbraw/zinc/99/63/76/1161996376.db2.gz NGWYKRXTBSVAPA-AVGNSLFASA-N 1 1 255.362 1.506 20 5 CDBDMO COCCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049332187 523219309 /nfs/dbraw/zinc/21/93/09/523219309.db2.gz MZQMSMXLLLLTKD-UHFFFAOYSA-N 1 1 281.312 1.502 20 5 CDBDMO COCCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049332187 523219318 /nfs/dbraw/zinc/21/93/18/523219318.db2.gz MZQMSMXLLLLTKD-UHFFFAOYSA-N 1 1 281.312 1.502 20 5 CDBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049236862 523633254 /nfs/dbraw/zinc/63/32/54/523633254.db2.gz NJKQAHODKMIVJJ-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049236862 523633260 /nfs/dbraw/zinc/63/32/60/523633260.db2.gz NJKQAHODKMIVJJ-SNVBAGLBSA-N 1 1 281.312 1.500 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000068806526 523891077 /nfs/dbraw/zinc/89/10/77/523891077.db2.gz UFCHWXONBMROHB-CYBMUJFWSA-N 1 1 264.329 1.253 20 5 CDBDMO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068806526 523891082 /nfs/dbraw/zinc/89/10/82/523891082.db2.gz UFCHWXONBMROHB-CYBMUJFWSA-N 1 1 264.329 1.253 20 5 CDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000068806526 523891083 /nfs/dbraw/zinc/89/10/83/523891083.db2.gz UFCHWXONBMROHB-CYBMUJFWSA-N 1 1 264.329 1.253 20 5 CDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295328 524585837 /nfs/dbraw/zinc/58/58/37/524585837.db2.gz AIVJHYFDDISTLA-GWCFXTLKSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1cccn2cc(Cn3cccc([N+](=O)[O-])c3=O)[nH+]c12 ZINC000338633477 525474132 /nfs/dbraw/zinc/47/41/32/525474132.db2.gz OYHSHBWLVHZMML-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000247114243 525770955 /nfs/dbraw/zinc/77/09/55/525770955.db2.gz JEPNYSKEITYARJ-STQMWFEESA-N 1 1 293.367 1.482 20 5 CDBDMO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761084210 576545196 /nfs/dbraw/zinc/54/51/96/576545196.db2.gz YRCSPEFLHXRHJB-LBPRGKRZSA-N 1 1 279.340 1.610 20 5 CDBDMO Cc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000756994013 577019202 /nfs/dbraw/zinc/01/92/02/577019202.db2.gz JPTAQDQYAAVHRF-CYBMUJFWSA-N 1 1 290.323 1.460 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000891620028 617507892 /nfs/dbraw/zinc/50/78/92/617507892.db2.gz MOFAZXMEDSMGQI-UHFFFAOYSA-N 1 1 252.270 1.903 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000891620028 617507896 /nfs/dbraw/zinc/50/78/96/617507896.db2.gz MOFAZXMEDSMGQI-UHFFFAOYSA-N 1 1 252.270 1.903 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892421188 618177237 /nfs/dbraw/zinc/17/72/37/618177237.db2.gz GAOJDYKOTALLEZ-SECBINFHSA-N 1 1 291.311 1.885 20 5 CDBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000928555415 619363979 /nfs/dbraw/zinc/36/39/79/619363979.db2.gz JQGMKWNNGHNLNJ-GWCFXTLKSA-N 1 1 277.324 1.519 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000895324378 619561291 /nfs/dbraw/zinc/56/12/91/619561291.db2.gz QHKIJYOWMCQEHG-LLVKDONJSA-N 1 1 297.742 1.862 20 5 CDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899911673 622534701 /nfs/dbraw/zinc/53/47/01/622534701.db2.gz UUOZSLZCAWLVHW-CYBMUJFWSA-N 1 1 291.307 1.254 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000902541641 624905620 /nfs/dbraw/zinc/90/56/20/624905620.db2.gz JBJADAPTZNMOQA-LBPRGKRZSA-N 1 1 281.360 1.411 20 5 CDBDMO C[N@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000029163104 630184995 /nfs/dbraw/zinc/18/49/95/630184995.db2.gz WHCHLHCZSNYXKC-UHFFFAOYSA-N 1 1 275.312 1.384 20 5 CDBDMO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912805060 630217240 /nfs/dbraw/zinc/21/72/40/630217240.db2.gz IGQJKQWXXRPGAH-FDYHWXHSSA-N 1 1 283.372 1.230 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC000234322614 1158778815 /nfs/dbraw/zinc/77/88/15/1158778815.db2.gz LKHKHHJCBLJCFR-ZETCQYMHSA-N 1 1 256.693 1.759 20 5 CDBDMO Nc1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000312471159 1186699941 /nfs/dbraw/zinc/69/99/41/1186699941.db2.gz GTVBQISCARTNEW-QWRGUYRKSA-N 1 1 277.328 1.611 20 5 CDBDMO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164639354 719169325 /nfs/dbraw/zinc/16/93/25/719169325.db2.gz SBNXWMAPJVADRY-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC001164639354 719169326 /nfs/dbraw/zinc/16/93/26/719169326.db2.gz SBNXWMAPJVADRY-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164636558 719152202 /nfs/dbraw/zinc/15/22/02/719152202.db2.gz YVYXWSJRTQVYGK-YUMQZZPRSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001164636558 719152211 /nfs/dbraw/zinc/15/22/11/719152211.db2.gz YVYXWSJRTQVYGK-YUMQZZPRSA-N 1 1 299.762 1.875 20 5 CDBDMO COc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164631837 719191838 /nfs/dbraw/zinc/19/18/38/719191838.db2.gz CMNLFPRZJSEXPP-NXEZZACHSA-N 1 1 280.328 1.527 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591326 796937180 /nfs/dbraw/zinc/93/71/80/796937180.db2.gz MZWPLQRZRSTLLN-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249929 797889346 /nfs/dbraw/zinc/88/93/46/797889346.db2.gz WFRVNWLTBSVWFI-WDEREUQCSA-N 1 1 265.313 1.440 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)CO)C2)cc1 ZINC000930637436 798064899 /nfs/dbraw/zinc/06/48/99/798064899.db2.gz LEWCMWXYIZSARJ-OCCSQVGLSA-N 1 1 280.324 1.127 20 5 CDBDMO COC(=O)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885965072 798072545 /nfs/dbraw/zinc/07/25/45/798072545.db2.gz IJSIHIPLVDYVMH-UHFFFAOYSA-N 1 1 293.323 1.765 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1CN ZINC001173217050 912303428 /nfs/dbraw/zinc/30/34/28/912303428.db2.gz KPSGAXPIAQUHOM-RISCZKNCSA-N 1 1 263.341 1.949 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1CN ZINC001173217050 912303449 /nfs/dbraw/zinc/30/34/49/912303449.db2.gz KPSGAXPIAQUHOM-RISCZKNCSA-N 1 1 263.341 1.949 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC001167272752 895011723 /nfs/dbraw/zinc/01/17/23/895011723.db2.gz BSKAWXHAHYVCOQ-NSHDSACASA-N 1 1 276.340 1.985 20 5 CDBDMO CCN(CC)C(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015839 895444536 /nfs/dbraw/zinc/44/45/36/895444536.db2.gz HODCMAPPQISHFJ-UHFFFAOYSA-N 1 1 265.313 1.553 20 5 CDBDMO COC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229176757 904889214 /nfs/dbraw/zinc/88/92/14/904889214.db2.gz VRLGXEZAHODDHX-JTQLQIEISA-N 1 1 274.704 1.345 20 5 CDBDMO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126931843 909883167 /nfs/dbraw/zinc/88/31/67/909883167.db2.gz BLPLNZXOHUYPPA-TZMCWYRMSA-N 1 1 291.351 1.174 20 5 CDBDMO CC[C@](N)(CO)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904303 912037615 /nfs/dbraw/zinc/03/76/15/912037615.db2.gz WURFJKGUFHUHFN-UKRRQHHQSA-N 1 1 293.367 1.489 20 5 CDBDMO [NH3+]Cc1nnn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172899846 912037959 /nfs/dbraw/zinc/03/79/59/912037959.db2.gz DQWKMMJOYTVKRN-LLVKDONJSA-N 1 1 288.311 1.160 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826869870 936444642 /nfs/dbraw/zinc/44/46/42/936444642.db2.gz BEKIAODJWIZDSH-PWSUYJOCSA-N 1 1 283.372 1.421 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000831533499 936515373 /nfs/dbraw/zinc/51/53/73/936515373.db2.gz IGRASKYJXWYSIA-TUKIKUTGSA-N 1 1 294.351 1.985 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000832781252 936600824 /nfs/dbraw/zinc/60/08/24/936600824.db2.gz AIMDAXALYIWMIM-IUODEOHRSA-N 1 1 294.351 1.723 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839462843 936912917 /nfs/dbraw/zinc/91/29/17/936912917.db2.gz KZJMGWCTIOWHHM-OPRDCNLKSA-N 1 1 283.353 1.132 20 5 CDBDMO COC[C@]1(C)CC[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840106973 936938226 /nfs/dbraw/zinc/93/82/26/936938226.db2.gz WHMZZLOYTPYPMW-GFCCVEGCSA-N 1 1 268.317 1.416 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000840106973 936938229 /nfs/dbraw/zinc/93/82/29/936938229.db2.gz WHMZZLOYTPYPMW-GFCCVEGCSA-N 1 1 268.317 1.416 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000776277192 926528857 /nfs/dbraw/zinc/52/88/57/926528857.db2.gz LQSRGTCPIUFTAV-YUELXQCFSA-N 1 1 294.351 1.721 20 5 CDBDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011933 927616337 /nfs/dbraw/zinc/61/63/37/927616337.db2.gz NTWLCVZNTMZUDU-GHMZBOCLSA-N 1 1 272.345 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001169013810 927620191 /nfs/dbraw/zinc/62/01/91/927620191.db2.gz WNGPAPGEACYJSZ-GMTAPVOTSA-N 1 1 296.289 1.679 20 5 CDBDMO COC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013110 927620442 /nfs/dbraw/zinc/62/04/42/927620442.db2.gz TZWMYADQQYVCQV-WOPDTQHZSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CCCC3)C2)C1 ZINC001169037107 927647741 /nfs/dbraw/zinc/64/77/41/927647741.db2.gz QVHVEKUUDCYNII-VXGBXAGGSA-N 1 1 253.346 1.212 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccncc3)C2)C1 ZINC001169039664 927650600 /nfs/dbraw/zinc/65/06/00/927650600.db2.gz RXVDZNINVOHINO-IPYPFGDCSA-N 1 1 291.351 1.980 20 5 CDBDMO Cc1noc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169039250 927651196 /nfs/dbraw/zinc/65/11/96/927651196.db2.gz OPONELLQOCUNIQ-UTUOFQBUSA-N 1 1 280.328 1.960 20 5 CDBDMO CN1C(=O)CC[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050609 927669699 /nfs/dbraw/zinc/66/96/99/927669699.db2.gz BYIVNGXZLGEHDF-IGQOVBAYSA-N 1 1 295.383 1.375 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591987 927791089 /nfs/dbraw/zinc/79/10/89/927791089.db2.gz NRUGVEDOIDUWBH-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000776597466 927793469 /nfs/dbraw/zinc/79/34/69/927793469.db2.gz MJSWDZOPDQEGRF-OAHLLOKOSA-N 1 1 294.351 1.987 20 5 CDBDMO C[NH2+][C@H]1CCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156646487 928873347 /nfs/dbraw/zinc/87/33/47/928873347.db2.gz FZIGOKSYRPXIJG-LLVKDONJSA-N 1 1 259.269 1.294 20 5 CDBDMO Cc1cc(NCC[N@@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884824052 930636343 /nfs/dbraw/zinc/63/63/43/930636343.db2.gz PCXRGMJOTYNYQO-UHFFFAOYSA-N 1 1 287.747 1.893 20 5 CDBDMO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945763 930642411 /nfs/dbraw/zinc/64/24/11/930642411.db2.gz LHPABTQZDFBQSS-WDEREUQCSA-N 1 1 278.356 1.827 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000886089877 930801425 /nfs/dbraw/zinc/80/14/25/930801425.db2.gz LLSQTGFOJIQSEJ-UHFFFAOYSA-N 1 1 259.269 1.271 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000886089877 930801437 /nfs/dbraw/zinc/80/14/37/930801437.db2.gz LLSQTGFOJIQSEJ-UHFFFAOYSA-N 1 1 259.269 1.271 20 5 CDBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886225876 930831352 /nfs/dbraw/zinc/83/13/52/930831352.db2.gz DECHIDUIZPIOHJ-LBPRGKRZSA-N 1 1 294.355 1.582 20 5 CDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318013 930858552 /nfs/dbraw/zinc/85/85/52/930858552.db2.gz HJQFXTZFWUTMTF-RYUDHWBXSA-N 1 1 281.312 1.226 20 5 CDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886318013 930858559 /nfs/dbraw/zinc/85/85/59/930858559.db2.gz HJQFXTZFWUTMTF-RYUDHWBXSA-N 1 1 281.312 1.226 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000886815265 930965797 /nfs/dbraw/zinc/96/57/97/930965797.db2.gz AMRNDKZGWXKQLD-WDEREUQCSA-N 1 1 281.312 1.892 20 5 CDBDMO CC1(C)CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000890079559 931405757 /nfs/dbraw/zinc/40/57/57/931405757.db2.gz ZAXRXDZZOWIKLK-UHFFFAOYSA-N 1 1 280.328 1.385 20 5 CDBDMO C[C@H]1NCCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627556 932917650 /nfs/dbraw/zinc/91/76/50/932917650.db2.gz BQYDZJSSYRWVJA-BXUZGUMPSA-N 1 1 263.341 1.867 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928553785 933156899 /nfs/dbraw/zinc/15/68/99/933156899.db2.gz FBTDTNJSCLGVGC-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553785 933156903 /nfs/dbraw/zinc/15/69/03/933156903.db2.gz FBTDTNJSCLGVGC-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000928565160 933160845 /nfs/dbraw/zinc/16/08/45/933160845.db2.gz KKFUVTQHAVUCPF-LLVKDONJSA-N 1 1 293.323 1.184 20 5 CDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@H](C)O ZINC000929338078 933227372 /nfs/dbraw/zinc/22/73/72/933227372.db2.gz PJGBUHZMMNIKQK-FZMZJTMJSA-N 1 1 282.340 1.547 20 5 CDBDMO COc1cccc(C[N@H+](CC[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000929348493 933227895 /nfs/dbraw/zinc/22/78/95/933227895.db2.gz YRDCPBFWTUJMKT-HNNXBMFYSA-N 1 1 294.351 1.953 20 5 CDBDMO COc1cccc(C[N@@H+](CC[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000929348493 933227901 /nfs/dbraw/zinc/22/79/01/933227901.db2.gz YRDCPBFWTUJMKT-HNNXBMFYSA-N 1 1 294.351 1.953 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402388 934146058 /nfs/dbraw/zinc/14/60/58/934146058.db2.gz QMFDNVSIYDQKTN-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719109871 934843131 /nfs/dbraw/zinc/84/31/31/934843131.db2.gz RJNJIDQYDOWDKE-SNVBAGLBSA-N 1 1 296.298 1.929 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000796205269 934983397 /nfs/dbraw/zinc/98/33/97/934983397.db2.gz XCFZZDOPHNRUNA-KGLIPLIRSA-N 1 1 280.324 1.739 20 5 CDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139999 935730005 /nfs/dbraw/zinc/73/00/05/935730005.db2.gz SRLVMRAZFFFYEA-DDHJBXDOSA-N 1 1 295.364 1.150 20 5 CDBDMO CCOc1nc(N[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001156580978 938388236 /nfs/dbraw/zinc/38/82/36/938388236.db2.gz PDAXDMYSQOFEJS-VIFPVBQESA-N 1 1 266.301 1.505 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159780349 938752216 /nfs/dbraw/zinc/75/22/16/938752216.db2.gz YCRHTZHWKVUHID-VIFPVBQESA-N 1 1 259.697 1.079 20 5 CDBDMO CN1CC[NH+](CCCNc2cnc(F)c([N+](=O)[O-])c2)CC1 ZINC001161710164 938924190 /nfs/dbraw/zinc/92/41/90/938924190.db2.gz OPHIIERLYURPPE-UHFFFAOYSA-N 1 1 297.334 1.178 20 5 CDBDMO COc1nc(NC2C[NH+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001162220638 938963956 /nfs/dbraw/zinc/96/39/56/938963956.db2.gz ZWCJDKSHVZOAAH-UHFFFAOYSA-N 1 1 281.316 1.288 20 5 CDBDMO COc1ncc(-n2c[nH+]c3cccc(N)c32)cc1[N+](=O)[O-] ZINC001210138397 940666101 /nfs/dbraw/zinc/66/61/01/940666101.db2.gz PTXLOIWWIBMGQE-UHFFFAOYSA-N 1 1 285.263 1.920 20 5 CDBDMO C[C@H](c1ccccn1)N1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224773076 941790338 /nfs/dbraw/zinc/79/03/38/941790338.db2.gz DJEZJLZRBJRQQU-HUUCEWRRSA-N 1 1 278.420 1.940 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743858 942060911 /nfs/dbraw/zinc/06/09/11/942060911.db2.gz IQFNEDVOEOHXFI-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226743858 942060917 /nfs/dbraw/zinc/06/09/17/942060917.db2.gz IQFNEDVOEOHXFI-QMMMGPOBSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227692344 942206041 /nfs/dbraw/zinc/20/60/41/942206041.db2.gz XDWWMFABGJEPJL-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO C[N@@H+]1CCC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692344 942206047 /nfs/dbraw/zinc/20/60/47/942206047.db2.gz XDWWMFABGJEPJL-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227692344 942206051 /nfs/dbraw/zinc/20/60/51/942206051.db2.gz XDWWMFABGJEPJL-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396015 942462993 /nfs/dbraw/zinc/46/29/93/942462993.db2.gz PCFQNNPGAGWATC-LLVKDONJSA-N 1 1 282.296 1.400 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230368 942591522 /nfs/dbraw/zinc/59/15/22/942591522.db2.gz OSJYWQVRZHRUCN-MRVPVSSYSA-N 1 1 277.284 1.339 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C2 ZINC001233855856 943673556 /nfs/dbraw/zinc/67/35/56/943673556.db2.gz WMAXUEDGYMENFF-IAZYJMLFSA-N 1 1 263.297 1.994 20 5 CDBDMO CC(C)OC(=O)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001262254907 946549834 /nfs/dbraw/zinc/54/98/34/946549834.db2.gz ZAXCCTRRSWQWCS-ZDUSSCGKSA-N 1 1 280.324 1.936 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001254550401 947519896 /nfs/dbraw/zinc/51/98/96/947519896.db2.gz JALCWKFRAFAJDN-DGCLKSJQSA-N 1 1 291.351 1.723 20 5 CDBDMO COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254565435 947527062 /nfs/dbraw/zinc/52/70/62/947527062.db2.gz PFJRKINMTABRBB-OCCSQVGLSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC001254565435 947527070 /nfs/dbraw/zinc/52/70/70/947527070.db2.gz PFJRKINMTABRBB-OCCSQVGLSA-N 1 1 294.351 1.873 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@](F)(CO)C1)C2 ZINC001254596281 947546866 /nfs/dbraw/zinc/54/68/66/947546866.db2.gz CEDSDOVAMHRGAS-KBPBESRZSA-N 1 1 280.299 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@](F)(CO)C1)C2 ZINC001254596281 947546874 /nfs/dbraw/zinc/54/68/74/947546874.db2.gz CEDSDOVAMHRGAS-KBPBESRZSA-N 1 1 280.299 1.468 20 5 CDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600911 947549677 /nfs/dbraw/zinc/54/96/77/947549677.db2.gz WQSDKNJZYQOYIU-ONERCXAPSA-N 1 1 276.336 1.907 20 5 CDBDMO Cn1cc2c(n1)CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254604037 947553688 /nfs/dbraw/zinc/55/36/88/947553688.db2.gz SWZKQEZROHXSBM-HNNXBMFYSA-N 1 1 298.346 1.854 20 5 CDBDMO CC(=O)[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608627 947556635 /nfs/dbraw/zinc/55/66/35/947556635.db2.gz RLVLPJMEPYECBU-DOMZBBRYSA-N 1 1 274.320 1.973 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246086768 947937626 /nfs/dbraw/zinc/93/76/26/947937626.db2.gz MBBGAUUIACURRE-WXHSDQCUSA-N 1 1 281.331 1.815 20 5 CDBDMO COc1ccc(Nc2c[nH+]ncc2N)c([N+](=O)[O-])c1 ZINC001248466410 949051115 /nfs/dbraw/zinc/05/11/15/949051115.db2.gz RJQXSYZUSRYEFI-UHFFFAOYSA-N 1 1 261.241 1.719 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001324650118 953494963 /nfs/dbraw/zinc/49/49/63/953494963.db2.gz PVCHVPQEMMOSRB-NSHDSACASA-N 1 1 266.345 1.862 20 5 CDBDMO CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001336691568 960473327 /nfs/dbraw/zinc/47/33/27/960473327.db2.gz CGSWTUWVYDJXQA-GFCCVEGCSA-N 1 1 279.344 1.348 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001515986013 969924552 /nfs/dbraw/zinc/92/45/52/969924552.db2.gz BJMJNDHPIRJHHU-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001515986013 969924556 /nfs/dbraw/zinc/92/45/56/969924556.db2.gz BJMJNDHPIRJHHU-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001515986013 969924558 /nfs/dbraw/zinc/92/45/58/969924558.db2.gz BJMJNDHPIRJHHU-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO CCCNC(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100197 342463958 /nfs/dbraw/zinc/46/39/58/342463958.db2.gz HUNLJZJCLANDQJ-UHFFFAOYSA-N 1 1 288.307 1.503 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000600177731 341983376 /nfs/dbraw/zinc/98/33/76/341983376.db2.gz COQZBWISMPDLFV-CSPWOOARSA-N 1 1 292.335 1.691 20 5 CDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000592459252 342694221 /nfs/dbraw/zinc/69/42/21/342694221.db2.gz LLQPVQWZKIYWKC-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593110706 342769569 /nfs/dbraw/zinc/76/95/69/342769569.db2.gz ZFWFYTWLOLXEQW-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO Cn1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609383236 342264426 /nfs/dbraw/zinc/26/44/26/342264426.db2.gz QLSNCGJLIVZQMT-SNVBAGLBSA-N 1 1 280.328 1.005 20 5 CDBDMO CC[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595291645 343024739 /nfs/dbraw/zinc/02/47/39/343024739.db2.gz LHUXKSOLWCMRDA-UHFFFAOYSA-N 1 1 254.290 1.029 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1CO ZINC000595293701 343026203 /nfs/dbraw/zinc/02/62/03/343026203.db2.gz DPVGMQCLWPXYFB-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000595293701 343026206 /nfs/dbraw/zinc/02/62/06/343026206.db2.gz DPVGMQCLWPXYFB-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595338013 343030042 /nfs/dbraw/zinc/03/00/42/343030042.db2.gz OHLRNZMVURFVCD-JTQLQIEISA-N 1 1 295.314 1.821 20 5 CDBDMO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595425341 343056479 /nfs/dbraw/zinc/05/64/79/343056479.db2.gz QHTIRCNOFOOATA-SECBINFHSA-N 1 1 255.274 1.406 20 5 CDBDMO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595436292 343060248 /nfs/dbraw/zinc/06/02/48/343060248.db2.gz MJWDIMHGIVXCKX-BDAKNGLRSA-N 1 1 282.300 1.025 20 5 CDBDMO Cc1noc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000595461745 343070822 /nfs/dbraw/zinc/07/08/22/343070822.db2.gz MGMOKUYVDIVIMC-NSHDSACASA-N 1 1 282.344 1.663 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000595469007 343072205 /nfs/dbraw/zinc/07/22/05/343072205.db2.gz LOPMEOAKDHLOCN-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078456376 342337335 /nfs/dbraw/zinc/33/73/35/342337335.db2.gz IZFNFNBOIGTQPY-SNVBAGLBSA-N 1 1 294.359 1.278 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595912462 343190462 /nfs/dbraw/zinc/19/04/62/343190462.db2.gz MSCOHICTBXLVTD-ZYHUDNBSSA-N 1 1 282.344 1.130 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247540 343273733 /nfs/dbraw/zinc/27/37/33/343273733.db2.gz QJPCRRUNAKYDBX-CYBMUJFWSA-N 1 1 291.351 1.896 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596308323 343293730 /nfs/dbraw/zinc/29/37/30/343293730.db2.gz QVKUZZRMJXGYOB-SNVBAGLBSA-N 1 1 279.344 1.339 20 5 CDBDMO COc1cc(C[NH2+]Cc2cncn2C)c([N+](=O)[O-])cc1O ZINC000289922315 342402895 /nfs/dbraw/zinc/40/28/95/342402895.db2.gz SKQLBLOQVQVBGA-UHFFFAOYSA-N 1 1 292.295 1.332 20 5 CDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141514781 342434642 /nfs/dbraw/zinc/43/46/42/342434642.db2.gz JARXSOYZLACJQN-NSHDSACASA-N 1 1 295.364 1.967 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342458 343770877 /nfs/dbraw/zinc/77/08/77/343770877.db2.gz ISGBXGLPPFWTCN-GFCCVEGCSA-N 1 1 277.324 1.809 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342889 343771243 /nfs/dbraw/zinc/77/12/43/343771243.db2.gz OLBPHAKUMJKYIE-SECBINFHSA-N 1 1 267.285 1.402 20 5 CDBDMO Cc1ccc(CN2CC[N@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602714676 344554439 /nfs/dbraw/zinc/55/44/39/344554439.db2.gz IZKNHBIUUINQMN-ZDUSSCGKSA-N 1 1 279.340 1.012 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000602800992 344590745 /nfs/dbraw/zinc/59/07/45/344590745.db2.gz KJAXIYNYSFHNLB-CHWSQXEVSA-N 1 1 296.371 1.583 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[N@@H+](C)C1CC1 ZINC000602813688 344605277 /nfs/dbraw/zinc/60/52/77/344605277.db2.gz XBPPLSOHECECTH-UHFFFAOYSA-N 1 1 281.360 1.126 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000304339947 344905607 /nfs/dbraw/zinc/90/56/07/344905607.db2.gz YHYBSOQIRRNNJW-YUTCNCBUSA-N 1 1 294.355 1.417 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@@H+](CCCO)C2)cs1 ZINC000295109284 199349807 /nfs/dbraw/zinc/34/98/07/199349807.db2.gz LLFMHMVRKZNRMF-LBPRGKRZSA-N 1 1 299.396 1.593 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000295109284 199349809 /nfs/dbraw/zinc/34/98/09/199349809.db2.gz LLFMHMVRKZNRMF-LBPRGKRZSA-N 1 1 299.396 1.593 20 5 CDBDMO C[N@@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000609573121 345812926 /nfs/dbraw/zinc/81/29/26/345812926.db2.gz LPYUQBRXWBBNMZ-UHFFFAOYSA-N 1 1 292.339 1.488 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCOC1 ZINC000610485235 346297350 /nfs/dbraw/zinc/29/73/50/346297350.db2.gz WEEONLSICJRKLE-LLVKDONJSA-N 1 1 268.317 1.150 20 5 CDBDMO CC(C)(C)[C@@H](CN)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420366938 535040485 /nfs/dbraw/zinc/04/04/85/535040485.db2.gz RNBNKUCEXHKCHR-CYBMUJFWSA-N 1 1 281.356 1.937 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610782909 346409541 /nfs/dbraw/zinc/40/95/41/346409541.db2.gz ZAIKVQSFQZBIDM-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610782909 346409542 /nfs/dbraw/zinc/40/95/42/346409542.db2.gz ZAIKVQSFQZBIDM-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000611510291 346800895 /nfs/dbraw/zinc/80/08/95/346800895.db2.gz HMHXTXJJYNALCV-PWSUYJOCSA-N 1 1 262.313 1.520 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344451973 362786756 /nfs/dbraw/zinc/78/67/56/362786756.db2.gz AQVYQWYXDXBCAU-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090548793 180001578 /nfs/dbraw/zinc/00/15/78/180001578.db2.gz NHEVOUCHCHHYOL-AAEUAGOBSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000090548793 180001580 /nfs/dbraw/zinc/00/15/80/180001580.db2.gz NHEVOUCHCHHYOL-AAEUAGOBSA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@H]1SCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000090549845 180002239 /nfs/dbraw/zinc/00/22/39/180002239.db2.gz QIRRZUHNYHYFBW-WDEREUQCSA-N 1 1 297.380 1.582 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000619871049 350866317 /nfs/dbraw/zinc/86/63/17/350866317.db2.gz GZMPPTQXCNODKF-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111278982 186386199 /nfs/dbraw/zinc/38/61/99/186386199.db2.gz NUDKXPLJBZOZQF-UHFFFAOYSA-N 1 1 290.323 1.802 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516101188 363002123 /nfs/dbraw/zinc/00/21/23/363002123.db2.gz ICCNZXPCVVWODN-AOOOYVTPSA-N 1 1 268.317 1.209 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516101188 363002127 /nfs/dbraw/zinc/00/21/27/363002127.db2.gz ICCNZXPCVVWODN-AOOOYVTPSA-N 1 1 268.317 1.209 20 5 CDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000122579103 187039405 /nfs/dbraw/zinc/03/94/05/187039405.db2.gz GRMTUJYXYSUKPY-QWRGUYRKSA-N 1 1 252.318 1.769 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000156279268 188253078 /nfs/dbraw/zinc/25/30/78/188253078.db2.gz OGQVLCFKUPMEKX-SNVBAGLBSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078738857 356960235 /nfs/dbraw/zinc/96/02/35/356960235.db2.gz IZJCSSCMOSYGKD-UHFFFAOYSA-N 1 1 295.339 1.626 20 5 CDBDMO CC(C)[N@@H+](CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000283762626 357599948 /nfs/dbraw/zinc/59/99/48/357599948.db2.gz NJDBQDSYTZPMIQ-UHFFFAOYSA-N 1 1 296.367 1.857 20 5 CDBDMO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476196 357821713 /nfs/dbraw/zinc/82/17/13/357821713.db2.gz UMPXVMYAOGAFKA-GXFFZTMASA-N 1 1 279.340 1.094 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOCCO ZINC000337539793 358079732 /nfs/dbraw/zinc/07/97/32/358079732.db2.gz JQYTZXUEBLAPPD-RAXLEYEMSA-N 1 1 294.351 1.939 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2ccccc2)n1 ZINC000176208856 358737506 /nfs/dbraw/zinc/73/75/06/358737506.db2.gz NLXJMBJKBZPBSD-UHFFFAOYSA-N 1 1 290.323 1.286 20 5 CDBDMO Cc1[nH+]cn(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000264927438 358772899 /nfs/dbraw/zinc/77/28/99/358772899.db2.gz OTKDAIYHPWXIFO-CYBMUJFWSA-N 1 1 291.307 1.848 20 5 CDBDMO O=[N+]([O-])c1ccc(NCCNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339135420 359296776 /nfs/dbraw/zinc/29/67/76/359296776.db2.gz NANQTIWJYRETAM-UHFFFAOYSA-N 1 1 298.306 1.812 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112926486 359365375 /nfs/dbraw/zinc/36/53/75/359365375.db2.gz JBMYITPJKJJJGX-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702143 359430860 /nfs/dbraw/zinc/43/08/60/359430860.db2.gz RYEOIBPYKSGOQH-AWEZNQCLSA-N 1 1 296.371 1.522 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297116428 200089526 /nfs/dbraw/zinc/08/95/26/200089526.db2.gz MARWHMHVDRHBHX-UHFFFAOYSA-N 1 1 276.300 1.700 20 5 CDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000356802136 366560759 /nfs/dbraw/zinc/56/07/59/366560759.db2.gz NBXPNBBXQKQBNJ-GFCCVEGCSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCC[C@@H]1O)CC2 ZINC000572164313 359949152 /nfs/dbraw/zinc/94/91/52/359949152.db2.gz ZTODOXKWBVINPA-ABAIWWIYSA-N 1 1 291.351 1.899 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCC[C@@H]1O)CC2 ZINC000572164313 359949155 /nfs/dbraw/zinc/94/91/55/359949155.db2.gz ZTODOXKWBVINPA-ABAIWWIYSA-N 1 1 291.351 1.899 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548085122 360093224 /nfs/dbraw/zinc/09/32/24/360093224.db2.gz DVJSNUAXHSXIQK-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235462646 360133191 /nfs/dbraw/zinc/13/31/91/360133191.db2.gz SFKRRNAXPLSTFY-GFCCVEGCSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000235462646 360133195 /nfs/dbraw/zinc/13/31/95/360133195.db2.gz SFKRRNAXPLSTFY-GFCCVEGCSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168370949 361166819 /nfs/dbraw/zinc/16/68/19/361166819.db2.gz BYEGJGINPCESBK-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000168370949 361166822 /nfs/dbraw/zinc/16/68/22/361166822.db2.gz BYEGJGINPCESBK-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408468849 361203836 /nfs/dbraw/zinc/20/38/36/361203836.db2.gz RDWJROMJLPQOPS-YPMHNXCESA-N 1 1 275.308 1.371 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000267649722 361256079 /nfs/dbraw/zinc/25/60/79/361256079.db2.gz KXHFGDIISMXPOE-ZDUSSCGKSA-N 1 1 266.297 1.694 20 5 CDBDMO C[C@@H]([NH2+]CCCN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740322 364474200 /nfs/dbraw/zinc/47/42/00/364474200.db2.gz NNBOMQWRPGTIDX-SNVBAGLBSA-N 1 1 266.345 1.779 20 5 CDBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249580468 364919057 /nfs/dbraw/zinc/91/90/57/364919057.db2.gz QUWBARQIJYXUEM-SMDDNHRTSA-N 1 1 291.351 1.723 20 5 CDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278073471 365484284 /nfs/dbraw/zinc/48/42/84/365484284.db2.gz XGKDLDUKZMUFAH-NSHDSACASA-N 1 1 292.339 1.670 20 5 CDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270883688 366942990 /nfs/dbraw/zinc/94/29/90/366942990.db2.gz KKPUIWWMCAXSCI-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270883688 366942994 /nfs/dbraw/zinc/94/29/94/366942994.db2.gz KKPUIWWMCAXSCI-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414833910 367077401 /nfs/dbraw/zinc/07/74/01/367077401.db2.gz RUQMGVLKFAMCMH-CYBMUJFWSA-N 1 1 263.341 1.992 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272360652 367696456 /nfs/dbraw/zinc/69/64/56/367696456.db2.gz BZZBSKZYORTSCT-UHFFFAOYSA-N 1 1 294.355 1.637 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546616 367760857 /nfs/dbraw/zinc/76/08/57/367760857.db2.gz KEURAKIQVVMUHW-VXGBXAGGSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272611364 367782202 /nfs/dbraw/zinc/78/22/02/367782202.db2.gz WFTMRFNVIBIWFH-VIFPVBQESA-N 1 1 275.312 1.915 20 5 CDBDMO Cc1nnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272611364 367782210 /nfs/dbraw/zinc/78/22/10/367782210.db2.gz WFTMRFNVIBIWFH-VIFPVBQESA-N 1 1 275.312 1.915 20 5 CDBDMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)NC1CC1 ZINC000037562723 369079597 /nfs/dbraw/zinc/07/95/97/369079597.db2.gz JADHJJXOSWJKNS-UHFFFAOYSA-N 1 1 255.299 1.025 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000330846908 203306447 /nfs/dbraw/zinc/30/64/47/203306447.db2.gz OHRPUMTXAPNVSP-GFCCVEGCSA-N 1 1 268.338 1.505 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000330846908 203306450 /nfs/dbraw/zinc/30/64/50/203306450.db2.gz OHRPUMTXAPNVSP-GFCCVEGCSA-N 1 1 268.338 1.505 20 5 CDBDMO C[C@H](CN)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414923175 370315895 /nfs/dbraw/zinc/31/58/95/370315895.db2.gz DKHVHJZRKMNJIV-SNVBAGLBSA-N 1 1 289.339 1.432 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC=C(c3cccnc3)C2)n1 ZINC000295688235 370571255 /nfs/dbraw/zinc/57/12/55/370571255.db2.gz DAEZJWQYNFSCGH-UHFFFAOYSA-N 1 1 299.334 1.976 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448741 371980418 /nfs/dbraw/zinc/98/04/18/371980418.db2.gz QSWJBJMNKUFZGG-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448741 371980424 /nfs/dbraw/zinc/98/04/24/371980424.db2.gz QSWJBJMNKUFZGG-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000177996998 372941857 /nfs/dbraw/zinc/94/18/57/372941857.db2.gz XHLVDAGQNHHVMH-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603660 374611845 /nfs/dbraw/zinc/61/18/45/374611845.db2.gz HMMILZIZGPDLIO-LLVKDONJSA-N 1 1 293.323 1.171 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000377595341 374612996 /nfs/dbraw/zinc/61/29/96/374612996.db2.gz MPVVQESJNOOCBS-UHFFFAOYSA-N 1 1 277.324 1.763 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000331474083 374959198 /nfs/dbraw/zinc/95/91/98/374959198.db2.gz IQDBUHKCPWSRIY-JTQLQIEISA-N 1 1 293.298 1.700 20 5 CDBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332685313 375042030 /nfs/dbraw/zinc/04/20/30/375042030.db2.gz UKKFENGVTVILCS-CYBMUJFWSA-N 1 1 282.344 1.455 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131253801 375203111 /nfs/dbraw/zinc/20/31/11/375203111.db2.gz XDOWNKMHWJDZRW-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131253801 375203116 /nfs/dbraw/zinc/20/31/16/375203116.db2.gz XDOWNKMHWJDZRW-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056492610 375324960 /nfs/dbraw/zinc/32/49/60/375324960.db2.gz IKNBOBCYAKSNFG-ZDUSSCGKSA-N 1 1 293.323 1.313 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795634 375330257 /nfs/dbraw/zinc/33/02/57/375330257.db2.gz OCGROWQYHJWIAX-NOZJJQNGSA-N 1 1 250.298 1.716 20 5 CDBDMO O=[N+]([O-])c1ccccc1CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000600721566 375368886 /nfs/dbraw/zinc/36/88/86/375368886.db2.gz BKAKRMJKJOTCEV-CQSZACIVSA-N 1 1 293.367 1.184 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CO ZINC000226930990 375406144 /nfs/dbraw/zinc/40/61/44/375406144.db2.gz WGBNXMNSGMBOOO-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CC1 ZINC000357437939 375911235 /nfs/dbraw/zinc/91/12/35/375911235.db2.gz LQGFBBMGOTUAGR-NSHDSACASA-N 1 1 280.328 1.124 20 5 CDBDMO C[N@@H+](C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000357434876 375909137 /nfs/dbraw/zinc/90/91/37/375909137.db2.gz GPHHGUNUXXNIAW-LLVKDONJSA-N 1 1 283.353 1.537 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)CCCO ZINC000347375077 376056412 /nfs/dbraw/zinc/05/64/12/376056412.db2.gz ZAVYXUXJTZNPDO-JLHYYAGUSA-N 1 1 294.351 1.675 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000347590071 376561899 /nfs/dbraw/zinc/56/18/99/376561899.db2.gz LXZQBJYONMXODR-ZJUUUORDSA-N 1 1 252.318 1.806 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000347590068 376562176 /nfs/dbraw/zinc/56/21/76/376562176.db2.gz LXZQBJYONMXODR-VHSXEESVSA-N 1 1 252.318 1.806 20 5 CDBDMO C[C@H]1CSCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172591408 377629989 /nfs/dbraw/zinc/62/99/89/377629989.db2.gz OURWKKFYAUSMDT-VIFPVBQESA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@H]1CSCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172591408 377630008 /nfs/dbraw/zinc/63/00/08/377630008.db2.gz OURWKKFYAUSMDT-VIFPVBQESA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594368 378595077 /nfs/dbraw/zinc/59/50/77/378595077.db2.gz QZJWYOVAPZAXET-NEPJUHHUSA-N 1 1 279.340 1.877 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CO)C1 ZINC000266956436 378907931 /nfs/dbraw/zinc/90/79/31/378907931.db2.gz VRYORRUPKWJFCY-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)C1 ZINC000266956436 378907935 /nfs/dbraw/zinc/90/79/35/378907935.db2.gz VRYORRUPKWJFCY-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353622 250126869 /nfs/dbraw/zinc/12/68/69/250126869.db2.gz UHHIRKMRNLHDKI-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353622 250126873 /nfs/dbraw/zinc/12/68/73/250126873.db2.gz UHHIRKMRNLHDKI-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353622 250126876 /nfs/dbraw/zinc/12/68/76/250126876.db2.gz UHHIRKMRNLHDKI-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444353622 250126877 /nfs/dbraw/zinc/12/68/77/250126877.db2.gz UHHIRKMRNLHDKI-BDAKNGLRSA-N 1 1 295.343 1.045 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491637269 253094042 /nfs/dbraw/zinc/09/40/42/253094042.db2.gz IHEOUHDHUUQTLD-SZZPACECSA-N 1 1 289.335 1.676 20 5 CDBDMO CSCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281314656 195193993 /nfs/dbraw/zinc/19/39/93/195193993.db2.gz IHPASCJHMWOWIR-UHFFFAOYSA-N 1 1 297.380 1.879 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433022023 390495000 /nfs/dbraw/zinc/49/50/00/390495000.db2.gz SRDDGCXWDPTRLW-NSHDSACASA-N 1 1 280.328 1.208 20 5 CDBDMO C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286916712 390815203 /nfs/dbraw/zinc/81/52/03/390815203.db2.gz HYMVSNKHBCMOFL-QMMMGPOBSA-N 1 1 291.311 1.151 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](C)CC1 ZINC000411154689 390965899 /nfs/dbraw/zinc/96/58/99/390965899.db2.gz LTGSDQMZYLUWKC-UHFFFAOYSA-N 1 1 279.340 1.741 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](C2CC2)C1 ZINC000295735020 391126615 /nfs/dbraw/zinc/12/66/15/391126615.db2.gz RXYIRANTCYNKPR-JTQLQIEISA-N 1 1 292.339 1.479 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438976948 391361514 /nfs/dbraw/zinc/36/15/14/391361514.db2.gz USKZPCWGJAIOIK-NSHDSACASA-N 1 1 291.351 1.608 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438976948 391361519 /nfs/dbraw/zinc/36/15/19/391361519.db2.gz USKZPCWGJAIOIK-NSHDSACASA-N 1 1 291.351 1.608 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413088716 391680801 /nfs/dbraw/zinc/68/08/01/391680801.db2.gz YAYJFRHBVSUYLV-MRVPVSSYSA-N 1 1 254.265 1.635 20 5 CDBDMO CC(C)Oc1nc(N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000574054172 391732010 /nfs/dbraw/zinc/73/20/10/391732010.db2.gz UWIXQFAYJQCTHE-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495228178 391907956 /nfs/dbraw/zinc/90/79/56/391907956.db2.gz JUKKHMOTGYWSTE-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495228178 391907962 /nfs/dbraw/zinc/90/79/62/391907962.db2.gz JUKKHMOTGYWSTE-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357563305 391939711 /nfs/dbraw/zinc/93/97/11/391939711.db2.gz HGOLJAJPMMBSJY-JTQLQIEISA-N 1 1 294.355 1.834 20 5 CDBDMO CN(C)CC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459553609 392465718 /nfs/dbraw/zinc/46/57/18/392465718.db2.gz YPRICMYUJNBJKO-UHFFFAOYSA-N 1 1 294.355 1.124 20 5 CDBDMO NC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091938 392621649 /nfs/dbraw/zinc/62/16/49/392621649.db2.gz QCERHSJPMQSJAW-SNVBAGLBSA-N 1 1 290.323 1.342 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+](C)C ZINC000194666428 392842086 /nfs/dbraw/zinc/84/20/86/392842086.db2.gz BMNYRENMEYFCGH-UHFFFAOYSA-N 1 1 251.286 1.712 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000421699050 392942084 /nfs/dbraw/zinc/94/20/84/392942084.db2.gz ADUQNRYKSMQSPX-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269461742 132174600 /nfs/dbraw/zinc/17/46/00/132174600.db2.gz HDFINVIWGBJKDZ-CYBMUJFWSA-N 1 1 276.340 1.315 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000368891451 392946556 /nfs/dbraw/zinc/94/65/56/392946556.db2.gz FICWFBAWUWSBNG-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488484 393025464 /nfs/dbraw/zinc/02/54/64/393025464.db2.gz XAPFCLJBNQVCEV-LBPRGKRZSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425488484 393025466 /nfs/dbraw/zinc/02/54/66/393025466.db2.gz XAPFCLJBNQVCEV-LBPRGKRZSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000425488484 393025473 /nfs/dbraw/zinc/02/54/73/393025473.db2.gz XAPFCLJBNQVCEV-LBPRGKRZSA-N 1 1 281.360 1.063 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081524159 393064487 /nfs/dbraw/zinc/06/44/87/393064487.db2.gz BCSKFNWMJMMTKX-LLVKDONJSA-N 1 1 279.340 1.451 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000275644461 135111010 /nfs/dbraw/zinc/11/10/10/135111010.db2.gz WVGJDEZOVPDINL-LLVKDONJSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251881276 140314571 /nfs/dbraw/zinc/31/45/71/140314571.db2.gz UVCPZJGTJQGMGS-BXUZGUMPSA-N 1 1 263.341 1.806 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261660839 140370427 /nfs/dbraw/zinc/37/04/27/140370427.db2.gz ZEBYJHSQLAOUSM-MRVWCRGKSA-N 1 1 261.325 1.764 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050069483 398100051 /nfs/dbraw/zinc/10/00/51/398100051.db2.gz RWVGSAOSACBMDQ-LLVKDONJSA-N 1 1 280.324 1.878 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343483236 152197201 /nfs/dbraw/zinc/19/72/01/152197201.db2.gz UYXQDGMRVAPAGO-KOLCDFICSA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000349878279 154253954 /nfs/dbraw/zinc/25/39/54/154253954.db2.gz VQJJXICXZXLEFH-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230843 155043233 /nfs/dbraw/zinc/04/32/33/155043233.db2.gz MLBXSSDAYIXIAO-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO CN(Cc1c([N+](=O)[O-])ncn1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355331444 156984887 /nfs/dbraw/zinc/98/48/87/156984887.db2.gz FPGLSCBIUWNRGI-LLVKDONJSA-N 1 1 281.360 1.102 20 5 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CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173573545 527944043 /nfs/dbraw/zinc/94/40/43/527944043.db2.gz QIOGGGUGUFMURM-CYBMUJFWSA-N 1 1 284.360 1.519 20 5 CDBDMO COCCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000189654479 536583572 /nfs/dbraw/zinc/58/35/72/536583572.db2.gz NBHIUXGZGNMIEB-AWEZNQCLSA-N 1 1 280.324 1.832 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000891871156 617697322 /nfs/dbraw/zinc/69/73/22/617697322.db2.gz UYZRFNNGJUKYKO-VIFPVBQESA-N 1 1 282.296 1.123 20 5 CDBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928560936 619383186 /nfs/dbraw/zinc/38/31/86/619383186.db2.gz WLDYXRFAXRZTAA-ONGXEEELSA-N 1 1 295.314 1.658 20 5 CDBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925251534 620627361 /nfs/dbraw/zinc/62/73/61/620627361.db2.gz DBUMYILOHZTTFF-ZWNOBZJWSA-N 1 1 292.339 1.659 20 5 CDBDMO Cc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCCC2)cc1 ZINC000905073523 626617549 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O=[N+]([O-])CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000791055801 1162187257 /nfs/dbraw/zinc/18/72/57/1162187257.db2.gz YLRPOLIUWNFBTM-CQSZACIVSA-N 1 1 264.325 1.536 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000791051956 1162187848 /nfs/dbraw/zinc/18/78/48/1162187848.db2.gz ISBBCCTYPVQYDS-LLVKDONJSA-N 1 1 287.360 1.642 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000791051956 1162187846 /nfs/dbraw/zinc/18/78/46/1162187846.db2.gz ISBBCCTYPVQYDS-LLVKDONJSA-N 1 1 287.360 1.642 20 5 CDBDMO CC[N@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1C ZINC000865638948 1164674849 /nfs/dbraw/zinc/67/48/49/1164674849.db2.gz JSHZYNVEYBZHBW-SNVBAGLBSA-N 1 1 297.330 1.757 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000876816239 1165922832 /nfs/dbraw/zinc/92/28/32/1165922832.db2.gz XJEVYTBWDCUTLC-CYBMUJFWSA-N 1 1 277.324 1.532 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CCNC1=O ZINC000876816239 1165922839 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CDBDMO CCOC[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000177630561 811073626 /nfs/dbraw/zinc/07/36/26/811073626.db2.gz PQJAGUSLXCBCCJ-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000819105844 811802989 /nfs/dbraw/zinc/80/29/89/811802989.db2.gz QFBTYKFAZAYKCL-OSAQELSMSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000819105844 811802990 /nfs/dbraw/zinc/80/29/90/811802990.db2.gz QFBTYKFAZAYKCL-OSAQELSMSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1O ZINC000159459386 812182204 /nfs/dbraw/zinc/18/22/04/812182204.db2.gz PWBRBHIHGUBREJ-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1O ZINC000159459386 812182256 /nfs/dbraw/zinc/18/22/56/812182256.db2.gz PWBRBHIHGUBREJ-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccon2)c1 ZINC000819129492 812238590 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O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000048331257 813896385 /nfs/dbraw/zinc/89/63/85/813896385.db2.gz RLDDBYKRYRYERI-LLVKDONJSA-N 1 1 254.261 1.691 20 5 CDBDMO CC(=O)c1cc(NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000884825451 814080904 /nfs/dbraw/zinc/08/09/04/814080904.db2.gz XQVFSPQXMDIUCS-UHFFFAOYSA-N 1 1 281.312 1.133 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530381 814352144 /nfs/dbraw/zinc/35/21/44/814352144.db2.gz ZHKMEFURPFEYRQ-GJZGRUSLSA-N 1 1 294.351 1.987 20 5 CDBDMO NC(=O)c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000929184656 814662260 /nfs/dbraw/zinc/66/22/60/814662260.db2.gz YTVSKDLZZZONEP-UHFFFAOYSA-N 1 1 263.297 1.027 20 5 CDBDMO NC(=O)c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000929184656 814662273 /nfs/dbraw/zinc/66/22/73/814662273.db2.gz YTVSKDLZZZONEP-UHFFFAOYSA-N 1 1 263.297 1.027 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313120 814743655 /nfs/dbraw/zinc/74/36/55/814743655.db2.gz FYOZWAFCCGQQBD-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO CC[N@H+](CCO)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873106635 816832415 /nfs/dbraw/zinc/83/24/15/816832415.db2.gz DBRAVGIKYUIISJ-UHFFFAOYSA-N 1 1 295.383 1.615 20 5 CDBDMO CC[N@@H+](CCO)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873106635 816832416 /nfs/dbraw/zinc/83/24/16/816832416.db2.gz DBRAVGIKYUIISJ-UHFFFAOYSA-N 1 1 295.383 1.615 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000883100750 816895067 /nfs/dbraw/zinc/89/50/67/816895067.db2.gz JDCDKGPFGJZEDR-GFCCVEGCSA-N 1 1 292.339 1.488 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886102880 816927348 /nfs/dbraw/zinc/92/73/48/816927348.db2.gz STCUQIYLYNVMEY-WDEREUQCSA-N 1 1 264.329 1.514 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843749162 816938774 /nfs/dbraw/zinc/93/87/74/816938774.db2.gz GZPGKHYYSKLYIX-UHFFFAOYSA-N 1 1 295.314 1.820 20 5 CDBDMO CC[C@@H](CO)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985568 816970738 /nfs/dbraw/zinc/97/07/38/816970738.db2.gz CAAGVDWZXOTJPA-QWRGUYRKSA-N 1 1 280.328 1.247 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000845638843 817067591 /nfs/dbraw/zinc/06/75/91/817067591.db2.gz PEIMUPCEKURNIW-SNVBAGLBSA-N 1 1 295.314 1.439 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000845638843 817067596 /nfs/dbraw/zinc/06/75/96/817067596.db2.gz PEIMUPCEKURNIW-SNVBAGLBSA-N 1 1 295.314 1.439 20 5 CDBDMO CC(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001005381454 817352184 /nfs/dbraw/zinc/35/21/84/817352184.db2.gz KUUKHZHABIYBCA-CHWSQXEVSA-N 1 1 283.372 1.230 20 5 CDBDMO CCOCC[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886001886 817365065 /nfs/dbraw/zinc/36/50/65/817365065.db2.gz MCIPUUTZXNMCBV-UHFFFAOYSA-N 1 1 253.302 1.848 20 5 CDBDMO CCOCC[N@@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886001886 817365071 /nfs/dbraw/zinc/36/50/71/817365071.db2.gz MCIPUUTZXNMCBV-UHFFFAOYSA-N 1 1 253.302 1.848 20 5 CDBDMO COc1ccccc1[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929690970 817839141 /nfs/dbraw/zinc/83/91/41/817839141.db2.gz SXSRGGHEPHHHCV-LLVKDONJSA-N 1 1 250.298 1.761 20 5 CDBDMO COC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229191009 817899367 /nfs/dbraw/zinc/89/93/67/817899367.db2.gz UAIRCXOMUHKBNA-JTQLQIEISA-N 1 1 274.704 1.345 20 5 CDBDMO O=[N+]([O-])c1ccccc1Cc1noc(C[NH2+]C2CC2)n1 ZINC000843170553 817995152 /nfs/dbraw/zinc/99/51/52/817995152.db2.gz DRYJGHYKFRVJEQ-UHFFFAOYSA-N 1 1 274.280 1.821 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000699441328 913809765 /nfs/dbraw/zinc/80/97/65/913809765.db2.gz UWHDDPVHXQNWII-NSHDSACASA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000699441328 913809785 /nfs/dbraw/zinc/80/97/85/913809785.db2.gz UWHDDPVHXQNWII-NSHDSACASA-N 1 1 299.758 1.357 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109390 909164875 /nfs/dbraw/zinc/16/48/75/909164875.db2.gz SELYSOBXTJVHJY-GFCCVEGCSA-N 1 1 265.313 1.989 20 5 CDBDMO CC(C)(C)CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936425 909930630 /nfs/dbraw/zinc/93/06/30/909930630.db2.gz HDFBVEDFNXDGQU-GHMZBOCLSA-N 1 1 271.361 1.184 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc3ccccc3c([N+](=O)[O-])c2)n1 ZINC001168756017 922734031 /nfs/dbraw/zinc/73/40/31/922734031.db2.gz JNXCCCBKCRUJOC-UHFFFAOYSA-N 1 1 269.264 1.787 20 5 CDBDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC001168964181 927586525 /nfs/dbraw/zinc/58/65/25/927586525.db2.gz RMSMZEKVAULJGI-HBNTYKKESA-N 1 1 272.345 1.752 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010918 927617338 /nfs/dbraw/zinc/61/73/38/927617338.db2.gz GEAZCCMZVDQICX-MROQNXINSA-N 1 1 256.346 1.525 20 5 CDBDMO C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169013422 927620429 /nfs/dbraw/zinc/62/04/29/927620429.db2.gz UYBICCBBGNKFFC-FVCCEPFGSA-N 1 1 256.346 1.525 20 5 CDBDMO Cn1cc2c(n1)CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169035349 927643975 /nfs/dbraw/zinc/64/39/75/927643975.db2.gz KMHAORQMEOALLF-PWSUYJOCSA-N 1 1 264.329 1.224 20 5 CDBDMO CC(=O)N1CCC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037739 927647288 /nfs/dbraw/zinc/64/72/88/927647288.db2.gz TXZKUKDYYJZDBS-GXTWGEPZSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(=O)N1CCC([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037740 927647605 /nfs/dbraw/zinc/64/76/05/927647605.db2.gz TXZKUKDYYJZDBS-JSGCOSHPSA-N 1 1 283.372 1.375 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038920 927649167 /nfs/dbraw/zinc/64/91/67/927649167.db2.gz LJTQYMRQHAWDJZ-RYUDHWBXSA-N 1 1 270.329 1.271 20 5 CDBDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038314 927650835 /nfs/dbraw/zinc/65/08/35/927650835.db2.gz YAGNFTJTOOZEMA-RVMXOQNASA-N 1 1 284.356 1.563 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCn3nccc3C2)C1 ZINC001169044597 927657332 /nfs/dbraw/zinc/65/73/32/927657332.db2.gz IKXPDTLJKZJLCU-QWRGUYRKSA-N 1 1 250.302 1.144 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001169026593 927665673 /nfs/dbraw/zinc/66/56/73/927665673.db2.gz NBPWODJYOLMJBK-QLFBSQMISA-N 1 1 297.399 1.228 20 5 CDBDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026522 927666828 /nfs/dbraw/zinc/66/68/28/927666828.db2.gz LYJSBNKOXXHGII-RDBSUJKOSA-N 1 1 297.399 1.813 20 5 CDBDMO C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCC2(C1)OCCO2 ZINC001169050029 927669960 /nfs/dbraw/zinc/66/99/60/927669960.db2.gz YCJIUPPXDBLUNY-XQQFMLRXSA-N 1 1 284.356 1.659 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000695904514 937270259 /nfs/dbraw/zinc/27/02/59/937270259.db2.gz KJTPAMBUNRLHGD-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000695904514 937270264 /nfs/dbraw/zinc/27/02/64/937270264.db2.gz KJTPAMBUNRLHGD-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000695904514 937270268 /nfs/dbraw/zinc/27/02/68/937270268.db2.gz KJTPAMBUNRLHGD-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156659728 928893674 /nfs/dbraw/zinc/89/36/74/928893674.db2.gz JJEAMSIMQOWWLG-LBPRGKRZSA-N 1 1 258.281 1.899 20 5 CDBDMO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000133944829 930475861 /nfs/dbraw/zinc/47/58/61/930475861.db2.gz IEJHBJQYUIBDQQ-DGCLKSJQSA-N 1 1 279.340 1.451 20 5 CDBDMO COC(=O)[C@H](C)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885981487 930782240 /nfs/dbraw/zinc/78/22/40/930782240.db2.gz GWRUMQLHRQJSSV-SNVBAGLBSA-N 1 1 293.323 1.763 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885981487 930782249 /nfs/dbraw/zinc/78/22/49/930782249.db2.gz GWRUMQLHRQJSSV-SNVBAGLBSA-N 1 1 293.323 1.763 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159778973 930834905 /nfs/dbraw/zinc/83/49/05/930834905.db2.gz CHIQSYIWGPBVSO-QMMMGPOBSA-N 1 1 259.697 1.079 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159778791 930831468 /nfs/dbraw/zinc/83/14/68/930831468.db2.gz ACNKILLCRNGVTB-QMMMGPOBSA-N 1 1 259.697 1.079 20 5 CDBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886234107 930834972 /nfs/dbraw/zinc/83/49/72/930834972.db2.gz GHZBYCFKITXELG-GFCCVEGCSA-N 1 1 279.340 1.973 20 5 CDBDMO Cn1nccc1[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000800859191 935942751 /nfs/dbraw/zinc/94/27/51/935942751.db2.gz SFNGNSUGMMRCBU-LLVKDONJSA-N 1 1 290.327 1.362 20 5 CDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000800859191 935942752 /nfs/dbraw/zinc/94/27/52/935942752.db2.gz SFNGNSUGMMRCBU-LLVKDONJSA-N 1 1 290.327 1.362 20 5 CDBDMO C[N@H+]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156590999 938390381 /nfs/dbraw/zinc/39/03/81/938390381.db2.gz QWRQCLKAJINBLW-SECBINFHSA-N 1 1 283.353 1.726 20 5 CDBDMO COc1nc(NCc2ccc(N)[nH+]c2C)ncc1[N+](=O)[O-] ZINC001156975288 938441161 /nfs/dbraw/zinc/44/11/61/938441161.db2.gz YKQKYEYNWZSTAC-UHFFFAOYSA-N 1 1 290.283 1.291 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001157009018 938446061 /nfs/dbraw/zinc/44/60/61/938446061.db2.gz DDMWOJYDHRKKCM-NSHDSACASA-N 1 1 264.329 1.909 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001162336477 939027756 /nfs/dbraw/zinc/02/77/56/939027756.db2.gz BQCLSTYHPOHPAE-GFCCVEGCSA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224816919 941795537 /nfs/dbraw/zinc/79/55/37/941795537.db2.gz CFYLFNIUZPROBL-JQWIXIFHSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225594070 941886712 /nfs/dbraw/zinc/88/67/12/941886712.db2.gz APISZDXHXBAVBU-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166989 941961646 /nfs/dbraw/zinc/96/16/46/941961646.db2.gz BMNLGBYDCWRAQE-LLVKDONJSA-N 1 1 293.323 1.557 20 5 CDBDMO Cc1nc(Cl)nc(O[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001227334633 942166973 /nfs/dbraw/zinc/16/69/73/942166973.db2.gz NWSXAMDNMBQLAV-MRVPVSSYSA-N 1 1 286.719 1.820 20 5 CDBDMO COC(=O)C1C[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254553811 947523792 /nfs/dbraw/zinc/52/37/92/947523792.db2.gz ZPEUJSPBCKYJDJ-JTQLQIEISA-N 1 1 278.308 1.631 20 5 CDBDMO CO[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597341 947545044 /nfs/dbraw/zinc/54/50/44/947545044.db2.gz HOENBFYRXDVVRW-SOUVJXGZSA-N 1 1 292.335 1.408 20 5 CDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600910 947550262 /nfs/dbraw/zinc/55/02/62/947550262.db2.gz WQSDKNJZYQOYIU-KMUNFCNLSA-N 1 1 276.336 1.907 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCNC2)c([N+](=O)[O-])c1 ZINC001246130810 947975050 /nfs/dbraw/zinc/97/50/50/947975050.db2.gz VVQFIRUSHNOWQL-YPMHNXCESA-N 1 1 293.367 1.876 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1F ZINC001330677821 956558322 /nfs/dbraw/zinc/55/83/22/956558322.db2.gz JNNCDRFFSBRVLF-UHFFFAOYSA-N 1 1 279.271 1.336 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[N+](=O)[O-] ZINC001334683883 959283928 /nfs/dbraw/zinc/28/39/28/959283928.db2.gz DKISRIFFCBDXSZ-UKRRQHHQSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC001334683883 959283934 /nfs/dbraw/zinc/28/39/34/959283934.db2.gz DKISRIFFCBDXSZ-UKRRQHHQSA-N 1 1 277.368 1.763 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@@H]21 ZINC001339629616 962456809 /nfs/dbraw/zinc/45/68/09/962456809.db2.gz PFSQVYGDERNHHH-JQWIXIFHSA-N 1 1 291.355 1.493 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340908228 963185494 /nfs/dbraw/zinc/18/54/94/963185494.db2.gz RMMDMPACVYLHQF-QWRGUYRKSA-N 1 1 299.277 1.409 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000601187290 342489427 /nfs/dbraw/zinc/48/94/27/342489427.db2.gz QOOZLWMESGWNBB-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266179 342547093 /nfs/dbraw/zinc/54/70/93/342547093.db2.gz KKYAOYPSOGSCJV-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913158 398201834 /nfs/dbraw/zinc/20/18/34/398201834.db2.gz FWVXWPCROINFGW-VHSXEESVSA-N 1 1 278.312 1.232 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008842 187165383 /nfs/dbraw/zinc/16/53/83/187165383.db2.gz NQLATRPDZOIERG-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609200908 342095759 /nfs/dbraw/zinc/09/57/59/342095759.db2.gz MWIYOJROCGEHLZ-GFCCVEGCSA-N 1 1 277.324 1.205 20 5 CDBDMO COc1ccc(C[N@@H+](CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000404275733 346843766 /nfs/dbraw/zinc/84/37/66/346843766.db2.gz DYCPWOTXCHIOPC-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cocn1 ZINC000591735057 342644774 /nfs/dbraw/zinc/64/47/74/342644774.db2.gz NGLZQSJPELEJRE-LLVKDONJSA-N 1 1 293.279 1.112 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593674570 342825677 /nfs/dbraw/zinc/82/56/77/342825677.db2.gz YPGCNCQWNMGHQT-IOKDEZFASA-N 1 1 292.335 1.690 20 5 CDBDMO CCOC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595294699 343025943 /nfs/dbraw/zinc/02/59/43/343025943.db2.gz BWUDIESTEFEQCQ-UHFFFAOYSA-N 1 1 269.301 1.892 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410221 343050722 /nfs/dbraw/zinc/05/07/22/343050722.db2.gz WGBCXZHDUVFXDY-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410221 343050725 /nfs/dbraw/zinc/05/07/25/343050725.db2.gz WGBCXZHDUVFXDY-NSHDSACASA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595458618 343068914 /nfs/dbraw/zinc/06/89/14/343068914.db2.gz KRCJATBAQJBMBG-JMJZKYOTSA-N 1 1 283.328 1.873 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595458618 343068915 /nfs/dbraw/zinc/06/89/15/343068915.db2.gz KRCJATBAQJBMBG-JMJZKYOTSA-N 1 1 283.328 1.873 20 5 CDBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595502203 343078935 /nfs/dbraw/zinc/07/89/35/343078935.db2.gz WZFHCXDUMNTTKS-ZDUSSCGKSA-N 1 1 297.330 1.984 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000595544821 343094266 /nfs/dbraw/zinc/09/42/66/343094266.db2.gz YMVFBNAEXLYKQO-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000595544821 343094267 /nfs/dbraw/zinc/09/42/67/343094267.db2.gz YMVFBNAEXLYKQO-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678075 343129712 /nfs/dbraw/zinc/12/97/12/343129712.db2.gz QFKULKBFIDOATH-NWDGAFQWSA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1c(C[N@@H+](C)C[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000595741333 343136101 /nfs/dbraw/zinc/13/61/01/343136101.db2.gz MQEXKXZLFDQTJO-CYBMUJFWSA-N 1 1 280.324 1.750 20 5 CDBDMO CC[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596109198 343229499 /nfs/dbraw/zinc/22/94/99/343229499.db2.gz LTNCUYPXCFWCCT-UHFFFAOYSA-N 1 1 266.301 1.592 20 5 CDBDMO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000596116163 343231750 /nfs/dbraw/zinc/23/17/50/343231750.db2.gz ZALWARPBSCTKLB-UWVGGRQHSA-N 1 1 296.327 1.217 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000596268631 343280837 /nfs/dbraw/zinc/28/08/37/343280837.db2.gz KWJOEIHGNQPSMO-VIFPVBQESA-N 1 1 270.358 1.972 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596278441 343296386 /nfs/dbraw/zinc/29/63/86/343296386.db2.gz MWDCSOCUJAEVPQ-LLVKDONJSA-N 1 1 292.339 1.224 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000150767676 136393107 /nfs/dbraw/zinc/39/31/07/136393107.db2.gz AQKNGOWDDYVPKU-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295028927 199308419 /nfs/dbraw/zinc/30/84/19/199308419.db2.gz CZBSNGFPLJNLEH-GFCCVEGCSA-N 1 1 293.323 1.867 20 5 CDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295028927 199308421 /nfs/dbraw/zinc/30/84/21/199308421.db2.gz CZBSNGFPLJNLEH-GFCCVEGCSA-N 1 1 293.323 1.867 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341997 343771104 /nfs/dbraw/zinc/77/11/04/343771104.db2.gz ATUKAJMPEKMWEM-SNVBAGLBSA-N 1 1 280.328 1.147 20 5 CDBDMO COC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602667835 344537020 /nfs/dbraw/zinc/53/70/20/344537020.db2.gz URCVSFQXIWMXRM-UHFFFAOYSA-N 1 1 250.298 1.858 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804106 344592761 /nfs/dbraw/zinc/59/27/61/344592761.db2.gz IGMVGDZILATFSN-GFCCVEGCSA-N 1 1 282.344 1.601 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778709 344595342 /nfs/dbraw/zinc/59/53/42/344595342.db2.gz NJMFJEBKIQOUBO-LBPRGKRZSA-N 1 1 282.344 1.458 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602780724 344596545 /nfs/dbraw/zinc/59/65/45/344596545.db2.gz DGPFSVVDPOOKSE-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602780724 344596546 /nfs/dbraw/zinc/59/65/46/344596546.db2.gz DGPFSVVDPOOKSE-PWSUYJOCSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000602819370 344608656 /nfs/dbraw/zinc/60/86/56/344608656.db2.gz ABANRGZHGKQNAY-GXFFZTMASA-N 1 1 294.355 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000602819370 344608657 /nfs/dbraw/zinc/60/86/57/344608657.db2.gz ABANRGZHGKQNAY-GXFFZTMASA-N 1 1 294.355 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000602830260 344613838 /nfs/dbraw/zinc/61/38/38/344613838.db2.gz BMWCFTCRBDHSET-ZDUSSCGKSA-N 1 1 296.371 1.847 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344048914 362540201 /nfs/dbraw/zinc/54/02/01/362540201.db2.gz ZHHUCHGNYBCBSJ-BHDSKKPTSA-N 1 1 280.299 1.937 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344041574 362540335 /nfs/dbraw/zinc/54/03/35/362540335.db2.gz WKQZWWAAEGXKHH-SCRDCRAPSA-N 1 1 292.335 1.676 20 5 CDBDMO CC[C@]1(C)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000344220539 362557016 /nfs/dbraw/zinc/55/70/16/362557016.db2.gz NYZXWZAHKKXSSM-GFCCVEGCSA-N 1 1 252.318 1.950 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052954937 345309296 /nfs/dbraw/zinc/30/92/96/345309296.db2.gz YFPYSCIRSMLPMA-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000609894858 346036910 /nfs/dbraw/zinc/03/69/10/346036910.db2.gz GTZCZUXZRRPONP-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C(C)(C)CO ZINC000609894858 346036913 /nfs/dbraw/zinc/03/69/13/346036913.db2.gz GTZCZUXZRRPONP-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000610559965 346310379 /nfs/dbraw/zinc/31/03/79/346310379.db2.gz CTDYKWRRMFWIBD-CYBMUJFWSA-N 1 1 291.351 1.896 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037404459 346353586 /nfs/dbraw/zinc/35/35/86/346353586.db2.gz PKEKQNRBTNVMOJ-SNVBAGLBSA-N 1 1 262.313 1.886 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000610762682 346398621 /nfs/dbraw/zinc/39/86/21/346398621.db2.gz NXSMNHXKKHVNHF-NJZAAPMLSA-N 1 1 292.335 1.819 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087726 346603543 /nfs/dbraw/zinc/60/35/43/346603543.db2.gz FMVMEYFOURFILK-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614338843 348082337 /nfs/dbraw/zinc/08/23/37/348082337.db2.gz ILIZZIPYSQTCPJ-VIFPVBQESA-N 1 1 282.296 1.179 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614338843 348082341 /nfs/dbraw/zinc/08/23/41/348082341.db2.gz ILIZZIPYSQTCPJ-VIFPVBQESA-N 1 1 282.296 1.179 20 5 CDBDMO C[C@H]([NH2+]Cc1nccn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293679381 362917249 /nfs/dbraw/zinc/91/72/49/362917249.db2.gz KFPRWCDWUTYFCJ-VIFPVBQESA-N 1 1 275.312 1.761 20 5 CDBDMO COc1cc(N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615494275 348559671 /nfs/dbraw/zinc/55/96/71/348559671.db2.gz MMDUBVUESMEZJZ-SNVBAGLBSA-N 1 1 265.313 1.744 20 5 CDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000067703512 349033678 /nfs/dbraw/zinc/03/36/78/349033678.db2.gz QCNIRHOUHCIQRN-LBPRGKRZSA-N 1 1 289.335 1.870 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000271218350 191009149 /nfs/dbraw/zinc/00/91/49/191009149.db2.gz XZAKAPHLUJSZAX-GFCCVEGCSA-N 1 1 277.324 1.566 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000271218350 191009151 /nfs/dbraw/zinc/00/91/51/191009151.db2.gz XZAKAPHLUJSZAX-GFCCVEGCSA-N 1 1 277.324 1.566 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000108903484 186235182 /nfs/dbraw/zinc/23/51/82/186235182.db2.gz BHVNRSQSXSINND-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000109849486 186276898 /nfs/dbraw/zinc/27/68/98/186276898.db2.gz JYRBFEGZXXOTSB-LLVKDONJSA-N 1 1 293.323 1.042 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267851 186383100 /nfs/dbraw/zinc/38/31/00/186383100.db2.gz SYCFUWKAYNWESU-CYBMUJFWSA-N 1 1 291.351 1.595 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926379 188170930 /nfs/dbraw/zinc/17/09/30/188170930.db2.gz JOYSTRKYUJLFDA-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO Cc1nnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000273555961 192201151 /nfs/dbraw/zinc/20/11/51/192201151.db2.gz COAYHWFAYFVAKA-ZETCQYMHSA-N 1 1 282.329 1.302 20 5 CDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286646526 357650772 /nfs/dbraw/zinc/65/07/72/357650772.db2.gz DLFJLBWUMWBDGY-NSHDSACASA-N 1 1 293.371 1.225 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000408070161 357805666 /nfs/dbraw/zinc/80/56/66/357805666.db2.gz FNCCNWPQETZLKU-RKDXNWHRSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000408070161 357805672 /nfs/dbraw/zinc/80/56/72/357805672.db2.gz FNCCNWPQETZLKU-RKDXNWHRSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159334328 358973586 /nfs/dbraw/zinc/97/35/86/358973586.db2.gz XCGMKDOKRYMMKW-ZJUUUORDSA-N 1 1 281.312 1.234 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000450797429 359006376 /nfs/dbraw/zinc/00/63/76/359006376.db2.gz SOGBGGYIOVUBLU-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000450797429 359006379 /nfs/dbraw/zinc/00/63/79/359006379.db2.gz SOGBGGYIOVUBLU-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159400686 359059335 /nfs/dbraw/zinc/05/93/35/359059335.db2.gz XONMFDZPLFEGBU-ZJUUUORDSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000159400686 359059338 /nfs/dbraw/zinc/05/93/38/359059338.db2.gz XONMFDZPLFEGBU-ZJUUUORDSA-N 1 1 281.312 1.234 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054131590 359424479 /nfs/dbraw/zinc/42/44/79/359424479.db2.gz APGZGULAZRSFNR-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO COc1cc(C)[nH+]c(Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC000339741389 359432317 /nfs/dbraw/zinc/43/23/17/359432317.db2.gz QMAFAXFUTYDETM-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049956562 359527150 /nfs/dbraw/zinc/52/71/50/359527150.db2.gz FOGIAEJQMBSYAM-NSHDSACASA-N 1 1 292.339 1.391 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000235437396 360110963 /nfs/dbraw/zinc/11/09/63/360110963.db2.gz ARVKNBSGWAWQJG-CYBMUJFWSA-N 1 1 297.742 1.946 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783343 360388858 /nfs/dbraw/zinc/38/88/58/360388858.db2.gz FIMWFCLBMUNHDO-ZYHUDNBSSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000154783343 360388860 /nfs/dbraw/zinc/38/88/60/360388860.db2.gz FIMWFCLBMUNHDO-ZYHUDNBSSA-N 1 1 280.328 1.429 20 5 CDBDMO CC[N@@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000179174904 189175177 /nfs/dbraw/zinc/17/51/77/189175177.db2.gz WDWVMTKCJROAGD-UHFFFAOYSA-N 1 1 289.335 1.968 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328733 360960033 /nfs/dbraw/zinc/96/00/33/360960033.db2.gz JYUWGVDEMHFICP-GFCCVEGCSA-N 1 1 285.731 1.727 20 5 CDBDMO COc1ccc(OCC[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000267616556 361229493 /nfs/dbraw/zinc/22/94/93/361229493.db2.gz COJSGLLVBSBYEH-LBPRGKRZSA-N 1 1 296.323 1.703 20 5 CDBDMO C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000121609662 366704232 /nfs/dbraw/zinc/70/42/32/366704232.db2.gz JJEMHARCAUUOPR-UHFFFAOYSA-N 1 1 281.287 1.050 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272748102 239038320 /nfs/dbraw/zinc/03/83/20/239038320.db2.gz DOTSMQLMEMRBRZ-MRVPVSSYSA-N 1 1 293.327 1.007 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H](C)O ZINC000304291515 239355375 /nfs/dbraw/zinc/35/53/75/239355375.db2.gz CQRHBULFKLUPLM-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918732 364269172 /nfs/dbraw/zinc/26/91/72/364269172.db2.gz VKPOAFSCLBYEHU-ZWNOBZJWSA-N 1 1 293.323 1.013 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918732 364269176 /nfs/dbraw/zinc/26/91/76/364269176.db2.gz VKPOAFSCLBYEHU-ZWNOBZJWSA-N 1 1 293.323 1.013 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178029 364393425 /nfs/dbraw/zinc/39/34/25/364393425.db2.gz SAYZXCVHJIPVTD-JOYOIKCWSA-N 1 1 262.313 1.884 20 5 CDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000270766467 366930241 /nfs/dbraw/zinc/93/02/41/366930241.db2.gz ZZZMHSABHCZDJC-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000272427167 367731819 /nfs/dbraw/zinc/73/18/19/367731819.db2.gz HEXQFRAFOQZRAU-NXEZZACHSA-N 1 1 295.364 1.823 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000272427167 367731823 /nfs/dbraw/zinc/73/18/23/367731823.db2.gz HEXQFRAFOQZRAU-NXEZZACHSA-N 1 1 295.364 1.823 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330615233 203041403 /nfs/dbraw/zinc/04/14/03/203041403.db2.gz TYDSHGPESLPMNK-JTQLQIEISA-N 1 1 280.328 1.527 20 5 CDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367728 244152366 /nfs/dbraw/zinc/15/23/66/244152366.db2.gz NFRWCJKKTDCKEY-LALPHHSUSA-N 1 1 293.367 1.950 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000420634090 244300227 /nfs/dbraw/zinc/30/02/27/244300227.db2.gz KJBZIYZUBISYBP-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CC1(CO)COC1)C1CC1 ZINC000135227224 369651898 /nfs/dbraw/zinc/65/18/98/369651898.db2.gz NOGVFJMABQNTPF-UHFFFAOYSA-N 1 1 292.335 1.568 20 5 CDBDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858374 370410009 /nfs/dbraw/zinc/41/00/09/370410009.db2.gz YUEDRTRJPBVOAL-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000351858374 370410015 /nfs/dbraw/zinc/41/00/15/370410015.db2.gz YUEDRTRJPBVOAL-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000226432535 370566904 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O=CN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000272965753 373672220 /nfs/dbraw/zinc/67/22/20/373672220.db2.gz QAXAKCYEKSPFKP-UHFFFAOYSA-N 1 1 263.297 1.259 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C2CC2)O1 ZINC000373405069 374467066 /nfs/dbraw/zinc/46/70/66/374467066.db2.gz SGVWLURETYJKSO-ZYHUDNBSSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C2CC2)O1 ZINC000373405069 374467069 /nfs/dbraw/zinc/46/70/69/374467069.db2.gz SGVWLURETYJKSO-ZYHUDNBSSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277517061 374791878 /nfs/dbraw/zinc/79/18/78/374791878.db2.gz QMXWOVYSBJGLNC-FKIZINRSSA-N 1 1 296.392 1.838 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@](=O)C1 ZINC000277517061 374791882 /nfs/dbraw/zinc/79/18/82/374791882.db2.gz QMXWOVYSBJGLNC-FKIZINRSSA-N 1 1 296.392 1.838 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775829 374846236 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IPPKPLJSGJJPNX-LBPRGKRZSA-N 1 1 277.324 1.580 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000332581150 375037930 /nfs/dbraw/zinc/03/79/30/375037930.db2.gz IPPKPLJSGJJPNX-LBPRGKRZSA-N 1 1 277.324 1.580 20 5 CDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304508310 375458007 /nfs/dbraw/zinc/45/80/07/375458007.db2.gz HKWHNUURSBUOFY-CHWSQXEVSA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401678782 375465281 /nfs/dbraw/zinc/46/52/81/375465281.db2.gz XVXZTKFDFQKWNZ-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000029914256 375521499 /nfs/dbraw/zinc/52/14/99/375521499.db2.gz MATDCLPFCHAOKZ-UHFFFAOYSA-N 1 1 289.335 1.968 20 5 CDBDMO Cc1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000162575230 375724806 /nfs/dbraw/zinc/72/48/06/375724806.db2.gz BEYVIDHTTMCCIP-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000269849033 375819741 /nfs/dbraw/zinc/81/97/41/375819741.db2.gz SXXJKIDZIMJBDQ-GHMZBOCLSA-N 1 1 268.317 1.027 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCNC1=O ZINC000347361503 376010738 /nfs/dbraw/zinc/01/07/38/376010738.db2.gz PBABBDCPQSWQPJ-BMGYJQCNSA-N 1 1 289.335 1.818 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CCn1c[nH+]c2c1CCCC2 ZINC000296667734 376689266 /nfs/dbraw/zinc/68/92/66/376689266.db2.gz KMHAJMUCKWZQJV-UHFFFAOYSA-N 1 1 288.307 1.532 20 5 CDBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000266924949 378759386 /nfs/dbraw/zinc/75/93/86/378759386.db2.gz LNPCRUXOIQIFQE-NSHDSACASA-N 1 1 291.351 1.839 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000069808328 378833295 /nfs/dbraw/zinc/83/32/95/378833295.db2.gz AUEPRFSVRNLXOQ-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173724905 378988801 /nfs/dbraw/zinc/98/88/01/378988801.db2.gz IDDOIIKNHLQUOO-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO C[N@@H+](CCn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000278615346 194069917 /nfs/dbraw/zinc/06/99/17/194069917.db2.gz SBBSSOHOHAVFSG-UHFFFAOYSA-N 1 1 261.285 1.318 20 5 CDBDMO Cc1ncsc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174854412 379592771 /nfs/dbraw/zinc/59/27/71/379592771.db2.gz JZPPRAKAFUZBAA-UHFFFAOYSA-N 1 1 281.341 1.688 20 5 CDBDMO Cc1ncsc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174854412 379592779 /nfs/dbraw/zinc/59/27/79/379592779.db2.gz JZPPRAKAFUZBAA-UHFFFAOYSA-N 1 1 281.341 1.688 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC000288191716 197023400 /nfs/dbraw/zinc/02/34/00/197023400.db2.gz RXGFWGMQLHVLDZ-UHFFFAOYSA-N 1 1 267.333 1.626 20 5 CDBDMO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449776422 251013849 /nfs/dbraw/zinc/01/38/49/251013849.db2.gz OXYQKBKZPLCKIF-SNVBAGLBSA-N 1 1 251.286 1.209 20 5 CDBDMO Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450435724 251282613 /nfs/dbraw/zinc/28/26/13/251282613.db2.gz IDSXQOUFLKRVNY-NXEZZACHSA-N 1 1 265.317 1.588 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288305753 197048263 /nfs/dbraw/zinc/04/82/63/197048263.db2.gz HGMQTBZEJJZYKT-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288305753 197048265 /nfs/dbraw/zinc/04/82/65/197048265.db2.gz HGMQTBZEJJZYKT-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819780 195395751 /nfs/dbraw/zinc/39/57/51/195395751.db2.gz WUPZKWAOPDTHKE-CMPLNLGQSA-N 1 1 268.317 1.291 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048894276 390462908 /nfs/dbraw/zinc/46/29/08/390462908.db2.gz XBLIDLXLLLAKOP-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451285497 390609856 /nfs/dbraw/zinc/60/98/56/390609856.db2.gz NAUNQKQNZZOCHP-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451285497 390609858 /nfs/dbraw/zinc/60/98/58/390609858.db2.gz NAUNQKQNZZOCHP-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO C[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411400982 390966537 /nfs/dbraw/zinc/96/65/37/390966537.db2.gz LLRRDRYYKRPAQC-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000411774924 390968279 /nfs/dbraw/zinc/96/82/79/390968279.db2.gz QCLAVMIXRZSZEG-UHFFFAOYSA-N 1 1 293.323 1.644 20 5 CDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452112988 391044847 /nfs/dbraw/zinc/04/48/47/391044847.db2.gz ZFKCVKUSTVRCFA-NWDGAFQWSA-N 1 1 280.328 1.148 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000340936959 391070329 /nfs/dbraw/zinc/07/03/29/391070329.db2.gz UMZSJUCIVSUOCR-ONGXEEELSA-N 1 1 266.297 1.559 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000264370089 391116394 /nfs/dbraw/zinc/11/63/94/391116394.db2.gz WQVXUKHIDFMIPT-QWRGUYRKSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190814130 533657385 /nfs/dbraw/zinc/65/73/85/533657385.db2.gz NYGPFWHICODVBC-WDEREUQCSA-N 1 1 268.313 1.158 20 5 CDBDMO CC(C)Oc1nc(N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000574054173 391732279 /nfs/dbraw/zinc/73/22/79/391732279.db2.gz UWIXQFAYJQCTHE-NSHDSACASA-N 1 1 294.355 1.917 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190331950 130091451 /nfs/dbraw/zinc/09/14/51/130091451.db2.gz XPIRXVGYXOYASL-VIFPVBQESA-N 1 1 270.358 1.829 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1C ZINC000192531064 130464820 /nfs/dbraw/zinc/46/48/20/130464820.db2.gz ZXQMWZAUECBDDF-SNVBAGLBSA-N 1 1 267.333 1.626 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836673 391935819 /nfs/dbraw/zinc/93/58/19/391935819.db2.gz BRCZZXMONBPOQI-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000356836673 391935822 /nfs/dbraw/zinc/93/58/22/391935822.db2.gz BRCZZXMONBPOQI-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000495194674 391905343 /nfs/dbraw/zinc/90/53/43/391905343.db2.gz OPLSGKNRFAVXNQ-AWEZNQCLSA-N 1 1 293.323 1.041 20 5 CDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577030 391996007 /nfs/dbraw/zinc/99/60/07/391996007.db2.gz UMDFOFSKKNWJET-MNOVXSKESA-N 1 1 292.339 1.622 20 5 CDBDMO CN(CCn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759364 392491939 /nfs/dbraw/zinc/49/19/39/392491939.db2.gz KSJMWYDKZWCTAP-FOSCPWQOSA-N 1 1 279.344 1.006 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000488780632 392726259 /nfs/dbraw/zinc/72/62/59/392726259.db2.gz IEDPFEMQOKUUMM-TXEJJXNPSA-N 1 1 279.315 1.727 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717184 392721930 /nfs/dbraw/zinc/72/19/30/392721930.db2.gz KUIZWLDHNFPYGW-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720979 392919543 /nfs/dbraw/zinc/91/95/43/392919543.db2.gz UQXMOGLSLZQLBL-LLVKDONJSA-N 1 1 277.324 1.666 20 5 CDBDMO CCCNCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423305686 392960039 /nfs/dbraw/zinc/96/00/39/392960039.db2.gz CENCZBIFWHTYQM-OLZOCXBDSA-N 1 1 295.387 1.864 20 5 CDBDMO [NH3+]C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430619965 393103116 /nfs/dbraw/zinc/10/31/16/393103116.db2.gz GYIBQTXPIGNFNO-LBPRGKRZSA-N 1 1 279.340 1.644 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(O)c1 ZINC000530905170 393055607 /nfs/dbraw/zinc/05/56/07/393055607.db2.gz UOFDPDBWAGZCJY-UHFFFAOYSA-N 1 1 276.296 1.629 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080413 393065748 /nfs/dbraw/zinc/06/57/48/393065748.db2.gz WRBGGPFLCBLPQM-BXKDBHETSA-N 1 1 292.339 1.146 20 5 CDBDMO COc1cc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487970377 393367705 /nfs/dbraw/zinc/36/77/05/393367705.db2.gz KANWBOZDPVTGFF-ZIAGYGMSSA-N 1 1 296.323 1.449 20 5 CDBDMO COc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000266033314 397608225 /nfs/dbraw/zinc/60/82/25/397608225.db2.gz SNVDDNKWRMXWBU-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000313416515 149243537 /nfs/dbraw/zinc/24/35/37/149243537.db2.gz WKLMARNNYFZZOU-JTQLQIEISA-N 1 1 281.287 1.431 20 5 CDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000313416515 149243541 /nfs/dbraw/zinc/24/35/41/149243541.db2.gz WKLMARNNYFZZOU-JTQLQIEISA-N 1 1 281.287 1.431 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352657651 155328155 /nfs/dbraw/zinc/32/81/55/155328155.db2.gz BIVQGIJSUUITHY-QWHCGFSZSA-N 1 1 293.323 1.379 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348923503 154007871 /nfs/dbraw/zinc/00/78/71/154007871.db2.gz WVZMVTSJQAJULU-GFCCVEGCSA-N 1 1 294.355 1.719 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000353884322 156142880 /nfs/dbraw/zinc/14/28/80/156142880.db2.gz TZBMUMMOTHRNBQ-LLVKDONJSA-N 1 1 296.323 1.833 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000353884322 156142884 /nfs/dbraw/zinc/14/28/84/156142884.db2.gz TZBMUMMOTHRNBQ-LLVKDONJSA-N 1 1 296.323 1.833 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000284887059 196151611 /nfs/dbraw/zinc/15/16/11/196151611.db2.gz QXLSRTGGGHLMOB-MWLCHTKSSA-N 1 1 263.297 1.148 20 5 CDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285402541 196273773 /nfs/dbraw/zinc/27/37/73/196273773.db2.gz CQDPFPWJJHFHIT-OASPWFOLSA-N 1 1 266.297 1.347 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccco1 ZINC000038629887 174150048 /nfs/dbraw/zinc/15/00/48/174150048.db2.gz MNAWKOXDVZHAIX-VIFPVBQESA-N 1 1 293.279 1.814 20 5 CDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000078543550 177352274 /nfs/dbraw/zinc/35/22/74/177352274.db2.gz SLVMSAHQRJFCTK-LLVKDONJSA-N 1 1 279.344 1.038 20 5 CDBDMO COC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000048582406 424256893 /nfs/dbraw/zinc/25/68/93/424256893.db2.gz FIQBENFTHSTYPG-UHFFFAOYSA-N 1 1 278.308 1.980 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1CCN1CCc2c1cccc2[N+](=O)[O-] ZINC000192770076 270299021 /nfs/dbraw/zinc/29/90/21/270299021.db2.gz YLQGHYYKRVOQLR-GFCCVEGCSA-N 1 1 291.351 1.678 20 5 CDBDMO C[C@@H]1COCC[N@H+]1CCN1CCc2c1cccc2[N+](=O)[O-] ZINC000192770076 270299024 /nfs/dbraw/zinc/29/90/24/270299024.db2.gz YLQGHYYKRVOQLR-GFCCVEGCSA-N 1 1 291.351 1.678 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000516101190 270459645 /nfs/dbraw/zinc/45/96/45/270459645.db2.gz ICCNZXPCVVWODN-UWVGGRQHSA-N 1 1 268.317 1.209 20 5 CDBDMO COCC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000266801614 274030198 /nfs/dbraw/zinc/03/01/98/274030198.db2.gz CCMPXPQGZRVNHP-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000268090293 275036383 /nfs/dbraw/zinc/03/63/83/275036383.db2.gz ISXRJUVOVJDMKG-CQSZACIVSA-N 1 1 277.324 1.506 20 5 CDBDMO CCOC(=O)CC(C)(C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343884622 276275310 /nfs/dbraw/zinc/27/53/10/276275310.db2.gz FBFQOELLXYOPIW-UHFFFAOYSA-N 1 1 298.343 1.492 20 5 CDBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343884622 276275311 /nfs/dbraw/zinc/27/53/11/276275311.db2.gz FBFQOELLXYOPIW-UHFFFAOYSA-N 1 1 298.343 1.492 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000081529389 277006429 /nfs/dbraw/zinc/00/64/29/277006429.db2.gz HJGLUUXBICIEGU-JTQLQIEISA-N 1 1 265.313 1.409 20 5 CDBDMO C[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000411149057 277051962 /nfs/dbraw/zinc/05/19/62/277051962.db2.gz OYCHIPHFPJBDCX-UHFFFAOYSA-N 1 1 267.304 1.871 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000155288882 277224812 /nfs/dbraw/zinc/22/48/12/277224812.db2.gz JYTIYJKMXWKGHE-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000354480255 278091121 /nfs/dbraw/zinc/09/11/21/278091121.db2.gz DYYHLOKMVPTBDN-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000354480255 278091123 /nfs/dbraw/zinc/09/11/23/278091123.db2.gz DYYHLOKMVPTBDN-ZJUUUORDSA-N 1 1 292.339 1.342 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173725709 279029676 /nfs/dbraw/zinc/02/96/76/279029676.db2.gz KWPYCVJXQQHNEA-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO C[C@H](C1CCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000357038379 279242619 /nfs/dbraw/zinc/24/26/19/279242619.db2.gz NDPFKKTVKJYOEG-LLVKDONJSA-N 1 1 279.340 1.877 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000194732038 280052172 /nfs/dbraw/zinc/05/21/72/280052172.db2.gz WVRCBTZIQGXRJO-MRVPVSSYSA-N 1 1 269.326 1.480 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000518241451 281016845 /nfs/dbraw/zinc/01/68/45/281016845.db2.gz VUBVCBIGJBKMNI-RYUDHWBXSA-N 1 1 292.339 1.290 20 5 CDBDMO Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000290531922 281250243 /nfs/dbraw/zinc/25/02/43/281250243.db2.gz DJVZRPDPRLZPSM-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301629382 281260424 /nfs/dbraw/zinc/26/04/24/281260424.db2.gz CAGUAGIWJUUNKK-OLZOCXBDSA-N 1 1 277.324 1.422 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000579796543 324281022 /nfs/dbraw/zinc/28/10/22/324281022.db2.gz WMRNSWFIZWVJEW-VHSXEESVSA-N 1 1 265.317 1.222 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1F ZINC000184230484 522395518 /nfs/dbraw/zinc/39/55/18/522395518.db2.gz FYFPENBETWORPF-CYBMUJFWSA-N 1 1 284.287 1.699 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1F ZINC000184230484 522395525 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CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000768303553 576270212 /nfs/dbraw/zinc/27/02/12/576270212.db2.gz VLHNFWRAGHMDDH-VURMDHGXSA-N 1 1 277.324 1.676 20 5 CDBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000768303553 576270214 /nfs/dbraw/zinc/27/02/14/576270214.db2.gz VLHNFWRAGHMDDH-VURMDHGXSA-N 1 1 277.324 1.676 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCCO)C2CC2)c1 ZINC000750074570 576973811 /nfs/dbraw/zinc/97/38/11/576973811.db2.gz IHASMJBYMWUTJE-CQSZACIVSA-N 1 1 280.324 1.475 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000892674800 617581371 /nfs/dbraw/zinc/58/13/71/617581371.db2.gz YQHOJXMRRHGCJI-VHSXEESVSA-N 1 1 280.328 1.893 20 5 CDBDMO C[C@H]([NH2+][C@H]1C(=O)NCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000931663706 617620086 /nfs/dbraw/zinc/62/00/86/617620086.db2.gz VFMSMTXVEOXKHW-CABZTGNLSA-N 1 1 277.324 1.770 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936082 618195597 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O=[N+]([O-])CC[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000899860604 622486909 /nfs/dbraw/zinc/48/69/09/622486909.db2.gz SGNKKNLMQILOGT-CQSZACIVSA-N 1 1 263.341 1.690 20 5 CDBDMO Cc1nn(CN2CC[N@H+](C)C[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000902544515 624899455 /nfs/dbraw/zinc/89/94/55/624899455.db2.gz XZVQQVXKIKICCL-ZDUSSCGKSA-N 1 1 295.387 1.719 20 5 CDBDMO CCC(=O)Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905051398 626387068 /nfs/dbraw/zinc/38/70/68/626387068.db2.gz VJTKVXDGVOIJRK-UHFFFAOYSA-N 1 1 251.286 1.401 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000905244678 626701581 /nfs/dbraw/zinc/70/15/81/626701581.db2.gz RNFAGQLLOCPSPC-ZDUSSCGKSA-N 1 1 255.362 1.650 20 5 CDBDMO COc1ccc(C2=NO[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1F ZINC000905256000 626707813 /nfs/dbraw/zinc/70/78/13/626707813.db2.gz WSEVVHMFIUTICT-JTQLQIEISA-N 1 1 297.286 1.194 20 5 CDBDMO CN1CC[N@@H+](C)Cc2ccc(NCC[N+](=O)[O-])cc21 ZINC000905330029 626771408 /nfs/dbraw/zinc/77/14/08/626771408.db2.gz OFSDCERJUXKVLK-UHFFFAOYSA-N 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818032178 /nfs/dbraw/zinc/03/21/78/818032178.db2.gz PYLWMWVHNDOJGX-CQSZACIVSA-N 1 1 299.371 1.739 20 5 CDBDMO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930739441 818032185 /nfs/dbraw/zinc/03/21/85/818032185.db2.gz PYLWMWVHNDOJGX-CQSZACIVSA-N 1 1 299.371 1.739 20 5 CDBDMO CCOCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000092885555 818036971 /nfs/dbraw/zinc/03/69/71/818036971.db2.gz YZELBCDOFICIOX-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO CCOCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000092885555 818036977 /nfs/dbraw/zinc/03/69/77/818036977.db2.gz YZELBCDOFICIOX-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCn3cc[nH+]c32)c1 ZINC000931521058 818037893 /nfs/dbraw/zinc/03/78/93/818037893.db2.gz DEVVKPJXABTELT-GFCCVEGCSA-N 1 1 274.280 1.345 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000877592055 818298851 /nfs/dbraw/zinc/29/88/51/818298851.db2.gz KRQHCYIZIVQFKQ-DOMZBBRYSA-N 1 1 294.351 1.387 20 5 CDBDMO CN(C)C(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930210081 818459735 /nfs/dbraw/zinc/45/97/35/818459735.db2.gz QJEDGUUHGJHGQA-GFCCVEGCSA-N 1 1 265.313 1.072 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011290 818601535 /nfs/dbraw/zinc/60/15/35/818601535.db2.gz XXBIPZWUEZWKNG-LLVKDONJSA-N 1 1 265.313 1.848 20 5 CDBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929423143 818833807 /nfs/dbraw/zinc/83/38/07/818833807.db2.gz FEIBOWDOBOKGRU-CYBMUJFWSA-N 1 1 285.388 1.672 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446030 818978638 /nfs/dbraw/zinc/97/86/38/818978638.db2.gz BKBPPJHDOQVROL-GXFFZTMASA-N 1 1 268.313 1.331 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@]1(C)CO ZINC000886286006 819119128 /nfs/dbraw/zinc/11/91/28/819119128.db2.gz YQCCFVRTKZPXGD-GXFFZTMASA-N 1 1 265.313 1.440 20 5 CDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063945 819181468 /nfs/dbraw/zinc/18/14/68/819181468.db2.gz QJPWLFAXQNDQNI-XJFOESAGSA-N 1 1 293.367 1.389 20 5 CDBDMO C[N@H+](CCCF)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887138980 819199830 /nfs/dbraw/zinc/19/98/30/819199830.db2.gz UQFWZCLQCFFFKN-UHFFFAOYSA-N 1 1 269.276 1.825 20 5 CDBDMO C[N@@H+](CCCF)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000887138980 819199836 /nfs/dbraw/zinc/19/98/36/819199836.db2.gz UQFWZCLQCFFFKN-UHFFFAOYSA-N 1 1 269.276 1.825 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000847014489 819306148 /nfs/dbraw/zinc/30/61/48/819306148.db2.gz JWYBFLDGUVLZMH-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000928565162 819535330 /nfs/dbraw/zinc/53/53/30/819535330.db2.gz KKFUVTQHAVUCPF-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO CCOCC[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174890 819614938 /nfs/dbraw/zinc/61/49/38/819614938.db2.gz HKHABDBDIZMYNF-AWEZNQCLSA-N 1 1 282.340 1.987 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238525 819854945 /nfs/dbraw/zinc/85/49/45/819854945.db2.gz BMLBRPMPQICKRV-CYBMUJFWSA-N 1 1 278.356 1.904 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CNC3)CC2)cc1 ZINC000817955177 819891664 /nfs/dbraw/zinc/89/16/64/819891664.db2.gz RUERATXQEMYYGX-UHFFFAOYSA-N 1 1 276.340 1.125 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981137347 819926612 /nfs/dbraw/zinc/92/66/12/819926612.db2.gz QNCAQCQOVONFCE-ZIAGYGMSSA-N 1 1 295.383 1.376 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCC2)CC1 ZINC000981137347 819926649 /nfs/dbraw/zinc/92/66/49/819926649.db2.gz QNCAQCQOVONFCE-ZIAGYGMSSA-N 1 1 295.383 1.376 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981137347 819926685 /nfs/dbraw/zinc/92/66/85/819926685.db2.gz QNCAQCQOVONFCE-ZIAGYGMSSA-N 1 1 295.383 1.376 20 5 CDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821328254 820079907 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1.558 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480838 821344226 /nfs/dbraw/zinc/34/42/26/821344226.db2.gz BLSBZINKFLALSO-DGCLKSJQSA-N 1 1 280.328 1.558 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[S@](C)=O ZINC000829696773 821862730 /nfs/dbraw/zinc/86/27/30/821862730.db2.gz NTKDNZMQCAPUIS-SFHVURJKSA-N 1 1 270.354 1.448 20 5 CDBDMO COCC[N@@H+](CCCc1ccccc1)CC[N+](=O)[O-] ZINC000929362367 822066407 /nfs/dbraw/zinc/06/64/07/822066407.db2.gz DAENBQBHDYIFGX-UHFFFAOYSA-N 1 1 266.341 1.844 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000882958593 822094190 /nfs/dbraw/zinc/09/41/90/822094190.db2.gz FJMMFYWDVAVMHZ-SNVBAGLBSA-N 1 1 283.303 1.732 20 5 CDBDMO CCn1ncnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819279737 822355588 /nfs/dbraw/zinc/35/55/88/822355588.db2.gz QTCSLPNJHAEYQZ-GFCCVEGCSA-N 1 1 291.311 1.029 20 5 CDBDMO CC(C)(CCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC000835395504 822389591 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ZINC001165384092 939554192 /nfs/dbraw/zinc/55/41/92/939554192.db2.gz DCKJUSZWYHSDRO-UHFFFAOYSA-N 1 1 259.269 1.515 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000311424064 941326175 /nfs/dbraw/zinc/32/61/75/941326175.db2.gz OSWOGOSVKTXMNG-ZETCQYMHSA-N 1 1 279.325 1.716 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225591980 941886019 /nfs/dbraw/zinc/88/60/19/941886019.db2.gz AEDVZQOZKOAHBC-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805315 942075286 /nfs/dbraw/zinc/07/52/86/942075286.db2.gz XPTCYRQEDCXFQI-QMMMGPOBSA-N 1 1 292.270 1.760 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227693268 942205427 /nfs/dbraw/zinc/20/54/27/942205427.db2.gz QOGHQYVPZHATDT-QMMMGPOBSA-N 1 1 277.284 1.339 20 5 CDBDMO CC[N@@H+]1CC[C@H](Oc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227693268 942205432 /nfs/dbraw/zinc/20/54/32/942205432.db2.gz QOGHQYVPZHATDT-QMMMGPOBSA-N 1 1 277.284 1.339 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/nfs/dbraw/zinc/83/92/91/942839291.db2.gz ZOLKXPHCIHUZAT-JTQLQIEISA-N 1 1 281.312 1.867 20 5 CDBDMO [NH3+]C1(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001246084238 947934846 /nfs/dbraw/zinc/93/48/46/947934846.db2.gz PNIGKIKWWSZPAL-ZDUSSCGKSA-N 1 1 275.352 1.923 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546005 954925859 /nfs/dbraw/zinc/92/58/59/954925859.db2.gz IQWPLJQBTLEZOS-OAHLLOKOSA-N 1 1 293.367 1.612 20 5 CDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884940 956452263 /nfs/dbraw/zinc/45/22/63/956452263.db2.gz WQHMCSTYYBVWGD-CKYFFXLPSA-N 1 1 292.339 1.464 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC001334871504 959423506 /nfs/dbraw/zinc/42/35/06/959423506.db2.gz TULWJJBIFSLMPV-UHFFFAOYSA-N 1 1 269.276 1.341 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001337093128 960929155 /nfs/dbraw/zinc/92/91/55/960929155.db2.gz XSOVIFUDFJKLQC-ZJUUUORDSA-N 1 1 279.344 1.491 20 5 CDBDMO COc1cccc(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001343810359 964149974 /nfs/dbraw/zinc/14/99/74/964149974.db2.gz AUWHMTKSJRPJJL-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001346068454 964905067 /nfs/dbraw/zinc/90/50/67/964905067.db2.gz CPADDXASGDEEMH-MNOVXSKESA-N 1 1 264.329 1.615 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC1=CC[N@@H+](C)CC1 ZINC001352001036 967054741 /nfs/dbraw/zinc/05/47/41/967054741.db2.gz XJXUCRDSNMKFTO-UHFFFAOYSA-N 1 1 278.312 1.672 20 5 CDBDMO C[C@H]1CC[N@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311085 967884359 /nfs/dbraw/zinc/88/43/59/967884359.db2.gz NOXWJVYAYSAMDB-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001353311085 967884365 /nfs/dbraw/zinc/88/43/65/967884365.db2.gz NOXWJVYAYSAMDB-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC(=O)N1 ZINC000601170824 342485873 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COCC[NH+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291055 343024749 /nfs/dbraw/zinc/02/47/49/343024749.db2.gz WYQWLJBVOSGKKM-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595338014 343030075 /nfs/dbraw/zinc/03/00/75/343030075.db2.gz OHLRNZMVURFVCD-SNVBAGLBSA-N 1 1 295.314 1.821 20 5 CDBDMO Cc1noc(CN(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000595448015 343053702 /nfs/dbraw/zinc/05/37/02/343053702.db2.gz WESSVZYPRGNVIQ-UHFFFAOYSA-N 1 1 268.317 1.417 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595543446 343094007 /nfs/dbraw/zinc/09/40/07/343094007.db2.gz JRNHZBRCLNHUPB-LLVKDONJSA-N 1 1 295.314 1.644 20 5 CDBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595678076 343129931 /nfs/dbraw/zinc/12/99/31/343129931.db2.gz QFKULKBFIDOATH-RYUDHWBXSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596048723 343218232 /nfs/dbraw/zinc/21/82/32/343218232.db2.gz CNNKCSLNRPNIFC-LLVKDONJSA-N 1 1 292.339 1.590 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596075522 343226429 /nfs/dbraw/zinc/22/64/29/343226429.db2.gz FSMRPQYWVBOKFI-UHFFFAOYSA-N 1 1 294.355 1.836 20 5 CDBDMO CC(C)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596205297 343265184 /nfs/dbraw/zinc/26/51/84/343265184.db2.gz HYLZWQFQQWIDNC-NSHDSACASA-N 1 1 280.328 1.472 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1OCCc1c[nH+]cn1C ZINC000596253324 343275134 /nfs/dbraw/zinc/27/51/34/343275134.db2.gz DDNVBURSWARCGP-UHFFFAOYSA-N 1 1 277.280 1.958 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(OCCc2c[nH+]cn2C)c1 ZINC000596303968 343292955 /nfs/dbraw/zinc/29/29/55/343292955.db2.gz HCOJFMHACZYPLE-UHFFFAOYSA-N 1 1 277.280 1.958 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596335148 343297402 /nfs/dbraw/zinc/29/74/02/343297402.db2.gz GGAOUOWHSVYAHK-SECBINFHSA-N 1 1 267.333 1.613 20 5 CDBDMO CCC[N@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596518904 343340666 /nfs/dbraw/zinc/34/06/66/343340666.db2.gz ZJKCJKWOJKAEIU-VIFPVBQESA-N 1 1 266.301 1.592 20 5 CDBDMO CCc1nn(C)c(NCCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000189432235 529767728 /nfs/dbraw/zinc/76/77/28/529767728.db2.gz LFRNJWAFQNBBNN-UHFFFAOYSA-N 1 1 299.375 1.271 20 5 CDBDMO CCC(O)(CC)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000599672216 344113477 /nfs/dbraw/zinc/11/34/77/344113477.db2.gz AQJUAUIKYLPYKY-UHFFFAOYSA-N 1 1 270.333 1.274 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599646904 344113502 /nfs/dbraw/zinc/11/35/02/344113502.db2.gz MJTCXRZRGJSQAW-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599646904 344113503 /nfs/dbraw/zinc/11/35/03/344113503.db2.gz MJTCXRZRGJSQAW-UHFFFAOYSA-N 1 1 288.307 1.555 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602482374 344447088 /nfs/dbraw/zinc/44/70/88/344447088.db2.gz FQZOSTWBCWCMSW-UHFFFAOYSA-N 1 1 277.202 1.058 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000602770114 344574809 /nfs/dbraw/zinc/57/48/09/344574809.db2.gz WAQVIPNDSIUXSW-SNVBAGLBSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000602770114 344574810 /nfs/dbraw/zinc/57/48/10/344574810.db2.gz WAQVIPNDSIUXSW-SNVBAGLBSA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000602813470 344604834 /nfs/dbraw/zinc/60/48/34/344604834.db2.gz GCGJYMMQVOSVJX-NSHDSACASA-N 1 1 296.371 1.725 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000603552387 344817855 /nfs/dbraw/zinc/81/78/55/344817855.db2.gz GLNURYQUAVNCMX-UHFFFAOYSA-N 1 1 290.327 1.516 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000052136875 345232526 /nfs/dbraw/zinc/23/25/26/345232526.db2.gz QXSUXQMWDUKKAL-UHFFFAOYSA-N 1 1 289.295 1.921 20 5 CDBDMO CCNC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000052189321 346400768 /nfs/dbraw/zinc/40/07/68/346400768.db2.gz MCULPPFVFJXTHU-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO CCNC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000052189321 346400772 /nfs/dbraw/zinc/40/07/72/346400772.db2.gz MCULPPFVFJXTHU-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088321 346603134 /nfs/dbraw/zinc/60/31/34/346603134.db2.gz PKXZRWDELIOURI-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088321 346603137 /nfs/dbraw/zinc/60/31/37/346603137.db2.gz PKXZRWDELIOURI-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084775 346604210 /nfs/dbraw/zinc/60/42/10/346604210.db2.gz SABVBCDOYUAWQP-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092019 346606033 /nfs/dbraw/zinc/60/60/33/346606033.db2.gz GSTLZNLIPDVFNW-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO CCCN1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000611394637 346777075 /nfs/dbraw/zinc/77/70/75/346777075.db2.gz UGEKIIALDPPKFC-UHFFFAOYSA-N 1 1 281.360 1.255 20 5 CDBDMO CCC[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000611394637 346777077 /nfs/dbraw/zinc/77/70/77/346777077.db2.gz UGEKIIALDPPKFC-UHFFFAOYSA-N 1 1 281.360 1.255 20 5 CDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000067703489 349033799 /nfs/dbraw/zinc/03/37/99/349033799.db2.gz AYBPEKGUYMLVBJ-GFCCVEGCSA-N 1 1 289.335 1.490 20 5 CDBDMO CC(C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000068334749 349058796 /nfs/dbraw/zinc/05/87/96/349058796.db2.gz ANFXSKAITVWFIN-CYBMUJFWSA-N 1 1 282.340 1.922 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091498736 180173905 /nfs/dbraw/zinc/17/39/05/180173905.db2.gz GMFGUMHCOYPQEL-UHFFFAOYSA-N 1 1 250.298 1.798 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000312406639 350768533 /nfs/dbraw/zinc/76/85/33/350768533.db2.gz MFZLYPNLPSHKGK-GFCCVEGCSA-N 1 1 282.340 1.903 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000312740097 350791498 /nfs/dbraw/zinc/79/14/98/350791498.db2.gz VDDGZLQMXLDUTA-ZDUSSCGKSA-N 1 1 277.328 1.104 20 5 CDBDMO COC(=O)[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000280216584 351423622 /nfs/dbraw/zinc/42/36/22/351423622.db2.gz ACJGWYGLKGCISN-LLVKDONJSA-N 1 1 296.323 1.857 20 5 CDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000280216584 351423625 /nfs/dbraw/zinc/42/36/25/351423625.db2.gz ACJGWYGLKGCISN-LLVKDONJSA-N 1 1 296.323 1.857 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123884764 187113584 /nfs/dbraw/zinc/11/35/84/187113584.db2.gz VMIZMKNJMRWPRA-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281056 198229979 /nfs/dbraw/zinc/22/99/79/198229979.db2.gz QUSYNMZJDUBIHB-CYBMUJFWSA-N 1 1 295.364 1.824 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000156345394 188256964 /nfs/dbraw/zinc/25/69/64/188256964.db2.gz VDKZSGJSTCGSDG-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000156345394 188256966 /nfs/dbraw/zinc/25/69/66/188256966.db2.gz VDKZSGJSTCGSDG-VIFPVBQESA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304566218 356411289 /nfs/dbraw/zinc/41/12/89/356411289.db2.gz ZKKZPTXAMUNSCZ-GFCCVEGCSA-N 1 1 296.371 1.807 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CSC[NH2+]1 ZINC000037810218 356539394 /nfs/dbraw/zinc/53/93/94/356539394.db2.gz USFFXABFRYJEFL-SNVBAGLBSA-N 1 1 281.337 1.216 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000578527995 356717556 /nfs/dbraw/zinc/71/75/56/356717556.db2.gz WYNPYBDMOSWUCP-ZDUSSCGKSA-N 1 1 287.323 1.676 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC1 ZINC000159050354 357211735 /nfs/dbraw/zinc/21/17/35/357211735.db2.gz HVIKEKPFTPRNAU-JTQLQIEISA-N 1 1 254.261 1.955 20 5 CDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000360438326 357235653 /nfs/dbraw/zinc/23/56/53/357235653.db2.gz WUQVBKLZLFKFCZ-VXGBXAGGSA-N 1 1 293.371 1.387 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182204634 357419326 /nfs/dbraw/zinc/41/93/26/357419326.db2.gz SXPCWBNGXOUGFC-LBPRGKRZSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251698 358019559 /nfs/dbraw/zinc/01/95/59/358019559.db2.gz NOOGCBFSOWJYAV-HTQZYQBOSA-N 1 1 292.299 1.043 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119941127 359044747 /nfs/dbraw/zinc/04/47/47/359044747.db2.gz BVKRYGFMHWIHKC-NSHDSACASA-N 1 1 295.364 1.631 20 5 CDBDMO C[N@@H+](CC[C@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612638 359135111 /nfs/dbraw/zinc/13/51/11/359135111.db2.gz YHEYWLVVJUNIDE-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805459 200003402 /nfs/dbraw/zinc/00/34/02/200003402.db2.gz UNCXPERCFIYRMI-NHYWBVRUSA-N 1 1 293.367 1.701 20 5 CDBDMO Cc1nc(NCC[NH+]2CCSCC2)ncc1[N+](=O)[O-] ZINC000297085785 200080692 /nfs/dbraw/zinc/08/06/92/200080692.db2.gz KCBPWQWSTNAODS-UHFFFAOYSA-N 1 1 283.357 1.154 20 5 CDBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[C@@H](C)C1 ZINC000362150555 359684719 /nfs/dbraw/zinc/68/47/19/359684719.db2.gz PTEXWUXCQAGQAP-VXGBXAGGSA-N 1 1 296.371 1.965 20 5 CDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[C@@H](C)C1 ZINC000362150555 359684724 /nfs/dbraw/zinc/68/47/24/359684724.db2.gz PTEXWUXCQAGQAP-VXGBXAGGSA-N 1 1 296.371 1.965 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)nc1 ZINC000237987107 360313113 /nfs/dbraw/zinc/31/31/13/360313113.db2.gz PJPMTGILVBCRIQ-NSHDSACASA-N 1 1 262.313 1.886 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174881281 364587546 /nfs/dbraw/zinc/58/75/46/364587546.db2.gz BEFQPNIEXQPRCY-NSHDSACASA-N 1 1 270.358 1.619 20 5 CDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174810801 364570819 /nfs/dbraw/zinc/57/08/19/364570819.db2.gz XMXBTHMNWKITFB-AWEZNQCLSA-N 1 1 289.339 1.967 20 5 CDBDMO CC[C@@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429473 364693352 /nfs/dbraw/zinc/69/33/52/364693352.db2.gz YUARZVCDOASBBU-BXUZGUMPSA-N 1 1 294.355 1.637 20 5 CDBDMO CC[N@@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000270822887 366934577 /nfs/dbraw/zinc/93/45/77/366934577.db2.gz YWPKYDYVVHIHCN-UHFFFAOYSA-N 1 1 295.339 1.892 20 5 CDBDMO NC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814062 241399515 /nfs/dbraw/zinc/39/95/15/241399515.db2.gz YXJVWHGZDSOVGH-MASHWEEQSA-N 1 1 261.325 1.935 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000295329722 369960741 /nfs/dbraw/zinc/96/07/41/369960741.db2.gz XKZRVRLPGAOHOX-ZDUSSCGKSA-N 1 1 281.287 1.368 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000015260830 370335587 /nfs/dbraw/zinc/33/55/87/370335587.db2.gz WNTYCNJQXVYPCS-LLVKDONJSA-N 1 1 280.324 1.808 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000015260830 370335595 /nfs/dbraw/zinc/33/55/95/370335595.db2.gz WNTYCNJQXVYPCS-LLVKDONJSA-N 1 1 280.324 1.808 20 5 CDBDMO CN1CCNC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971845 371196951 /nfs/dbraw/zinc/19/69/51/371196951.db2.gz WXDVRRHDOKNZFC-SDQPKGBYSA-N 1 1 290.367 1.101 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331956881 204335213 /nfs/dbraw/zinc/33/52/13/204335213.db2.gz RNIKIPAHGXQNAN-UHFFFAOYSA-N 1 1 290.327 1.431 20 5 CDBDMO C[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298676370 373765690 /nfs/dbraw/zinc/76/56/90/373765690.db2.gz RCNZWZZMUREQOT-UHFFFAOYSA-N 1 1 292.339 1.171 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C2CC2)n1 ZINC000368403131 373838160 /nfs/dbraw/zinc/83/81/60/373838160.db2.gz AJWCDROCTRHOSY-NSHDSACASA-N 1 1 250.302 1.666 20 5 CDBDMO COCC[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266511691 373944035 /nfs/dbraw/zinc/94/40/35/373944035.db2.gz DZUNNQRKZUVMLL-ZDUSSCGKSA-N 1 1 293.367 1.920 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313616 374581335 /nfs/dbraw/zinc/58/13/35/374581335.db2.gz XQLAPDGUUCGSNC-LLVKDONJSA-N 1 1 284.385 1.866 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411011 374673640 /nfs/dbraw/zinc/67/36/40/374673640.db2.gz CBBIJDACXFOSGP-SNVBAGLBSA-N 1 1 281.312 1.790 20 5 CDBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000449530909 374818718 /nfs/dbraw/zinc/81/87/18/374818718.db2.gz FKDLDRWDTZPALQ-PHIMTYICSA-N 1 1 299.396 1.543 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442463 374853576 /nfs/dbraw/zinc/85/35/76/374853576.db2.gz ASJFEGDNFCVVPT-ZANVPECISA-N 1 1 266.297 1.503 20 5 CDBDMO C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CO ZINC000330442463 374853584 /nfs/dbraw/zinc/85/35/84/374853584.db2.gz ASJFEGDNFCVVPT-ZANVPECISA-N 1 1 266.297 1.503 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[C@@H]1CCCC[N@@H+]1C ZINC000330500272 374858101 /nfs/dbraw/zinc/85/81/01/374858101.db2.gz NWCACTBAGDSDDV-NSHDSACASA-N 1 1 252.318 1.974 20 5 CDBDMO CC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262195 374917738 /nfs/dbraw/zinc/91/77/38/374917738.db2.gz CVEBOFNILCVOGJ-CMPLNLGQSA-N 1 1 268.317 1.027 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000331474099 374959281 /nfs/dbraw/zinc/95/92/81/374959281.db2.gz IQDBUHKCPWSRIY-SNVBAGLBSA-N 1 1 293.298 1.700 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600674 375185700 /nfs/dbraw/zinc/18/57/00/375185700.db2.gz GDHZGWFKCTTXRX-SECBINFHSA-N 1 1 263.297 1.536 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938037 375342870 /nfs/dbraw/zinc/34/28/70/375342870.db2.gz WTNIJYUSUPFNAK-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CC1 ZINC000049237679 375421066 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CC[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167708 376328880 /nfs/dbraw/zinc/32/88/80/376328880.db2.gz FNLODMHCTJXFJH-UHFFFAOYSA-N 1 1 294.355 1.388 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345166584 377404461 /nfs/dbraw/zinc/40/44/61/377404461.db2.gz SQUNEEYHRCNZNN-NXEZZACHSA-N 1 1 293.327 1.016 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345347067 378164063 /nfs/dbraw/zinc/16/40/63/378164063.db2.gz KYSGIWWHJCEMDP-UHFFFAOYSA-N 1 1 282.344 1.393 20 5 CDBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583473 378668502 /nfs/dbraw/zinc/66/85/02/378668502.db2.gz GGBFAOMMHQROCV-PWSUYJOCSA-N 1 1 294.311 1.438 20 5 CDBDMO O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451186923 390603358 /nfs/dbraw/zinc/60/33/58/390603358.db2.gz CCACGYFJCHRTQX-SNVBAGLBSA-N 1 1 281.287 1.967 20 5 CDBDMO COC[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000452096678 391017435 /nfs/dbraw/zinc/01/74/35/391017435.db2.gz YMDMQZLTCSDYCW-NSHDSACASA-N 1 1 282.344 1.577 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404690 391046462 /nfs/dbraw/zinc/04/64/62/391046462.db2.gz XAIUYSPUMBHSSP-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367669433 391242052 /nfs/dbraw/zinc/24/20/52/391242052.db2.gz KTTBFRZATVXLAX-FUEXJSSKSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@H]1CC(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000367669433 391242056 /nfs/dbraw/zinc/24/20/56/391242056.db2.gz KTTBFRZATVXLAX-FUEXJSSKSA-N 1 1 289.335 1.818 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292371447 391627295 /nfs/dbraw/zinc/62/72/95/391627295.db2.gz YPDZOWJQLZAHQD-NEPJUHHUSA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358351336 391591946 /nfs/dbraw/zinc/59/19/46/391591946.db2.gz LXKIVCQVVUVOCA-CYBMUJFWSA-N 1 1 265.313 1.382 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000573983121 391645460 /nfs/dbraw/zinc/64/54/60/391645460.db2.gz LDVQOUNXNKHLFZ-YUMQZZPRSA-N 1 1 256.331 1.580 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000573983121 391645463 /nfs/dbraw/zinc/64/54/63/391645463.db2.gz LDVQOUNXNKHLFZ-YUMQZZPRSA-N 1 1 256.331 1.580 20 5 CDBDMO COC[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608103 391693675 /nfs/dbraw/zinc/69/36/75/391693675.db2.gz DCSUMUCBRBKZOH-SNVBAGLBSA-N 1 1 250.298 1.988 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190927623 130162667 /nfs/dbraw/zinc/16/26/67/130162667.db2.gz QHFLATCZJHHCQY-NWDGAFQWSA-N 1 1 282.340 1.201 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357563306 391940078 /nfs/dbraw/zinc/94/00/78/391940078.db2.gz HGOLJAJPMMBSJY-SNVBAGLBSA-N 1 1 294.355 1.834 20 5 CDBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237364502 131026043 /nfs/dbraw/zinc/02/60/43/131026043.db2.gz NKTPOLYIUUXNRP-PWSUYJOCSA-N 1 1 293.323 1.069 20 5 CDBDMO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245926923 131090091 /nfs/dbraw/zinc/09/00/91/131090091.db2.gz XONMFDZPLFEGBU-NXEZZACHSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245926923 131090093 /nfs/dbraw/zinc/09/00/93/131090093.db2.gz XONMFDZPLFEGBU-NXEZZACHSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247495863 131105302 /nfs/dbraw/zinc/10/53/02/131105302.db2.gz LGXRBMMZYXGHFR-WCQYABFASA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741884 131320243 /nfs/dbraw/zinc/32/02/43/131320243.db2.gz RNQDKONQEKKCEK-YPMHNXCESA-N 1 1 280.324 1.676 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000522213084 392874268 /nfs/dbraw/zinc/87/42/68/392874268.db2.gz JGQDAYOMGWICMN-JTQLQIEISA-N 1 1 280.328 1.383 20 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/nfs/dbraw/zinc/29/72/57/152297257.db2.gz UULVMDVIEYLDAL-GFCCVEGCSA-N 1 1 298.364 1.383 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2CCC1CC2 ZINC000371390909 160004373 /nfs/dbraw/zinc/00/43/73/160004373.db2.gz YKIRRSWXXWRPDF-UHFFFAOYSA-N 1 1 277.324 1.631 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373401006 160197223 /nfs/dbraw/zinc/19/72/23/160197223.db2.gz UKIDXNCRKPYDNZ-MFKMUULPSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373401006 160197224 /nfs/dbraw/zinc/19/72/24/160197224.db2.gz UKIDXNCRKPYDNZ-MFKMUULPSA-N 1 1 280.328 1.291 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374401636 160282755 /nfs/dbraw/zinc/28/27/55/160282755.db2.gz RFWJIVIZDOWYLT-NWDGAFQWSA-N 1 1 280.328 1.150 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCNC1=O ZINC000374874016 160323081 /nfs/dbraw/zinc/32/30/81/160323081.db2.gz JEYDXRRVGMNLPQ-CYBMUJFWSA-N 1 1 295.314 1.834 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCNC1=O ZINC000374874016 160323083 /nfs/dbraw/zinc/32/30/83/160323083.db2.gz JEYDXRRVGMNLPQ-CYBMUJFWSA-N 1 1 295.314 1.834 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273233437 414109988 /nfs/dbraw/zinc/10/99/88/414109988.db2.gz XKNNWORMNUTRLW-SNVBAGLBSA-N 1 1 265.317 1.163 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071893375 176291400 /nfs/dbraw/zinc/29/14/00/176291400.db2.gz HKWWREZTVUWPFF-GFCCVEGCSA-N 1 1 277.324 1.205 20 5 CDBDMO C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464785 270234915 /nfs/dbraw/zinc/23/49/15/270234915.db2.gz WEZSTNCGLGGJJL-UHFFFAOYSA-N 1 1 253.277 1.481 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000275815559 274271292 /nfs/dbraw/zinc/27/12/92/274271292.db2.gz MCHQRHQIMBEMST-SNVBAGLBSA-N 1 1 283.303 1.237 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250819796 275041436 /nfs/dbraw/zinc/04/14/36/275041436.db2.gz XKBRWLFXJDZZKR-ZJUUUORDSA-N 1 1 263.301 1.424 20 5 CDBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639790 276052620 /nfs/dbraw/zinc/05/26/20/276052620.db2.gz FBEOUYALSPAROV-LSDHHAIUSA-N 1 1 294.351 1.910 20 5 CDBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639790 276052621 /nfs/dbraw/zinc/05/26/21/276052621.db2.gz FBEOUYALSPAROV-LSDHHAIUSA-N 1 1 294.351 1.910 20 5 CDBDMO CO[C@H](C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298072778 277710230 /nfs/dbraw/zinc/71/02/30/277710230.db2.gz LCQGHLNPEWDUJW-LLVKDONJSA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@@H](O)C[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289987764 278394308 /nfs/dbraw/zinc/39/43/08/278394308.db2.gz YBYYZIPPPMGVNP-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289987764 278394311 /nfs/dbraw/zinc/39/43/11/278394311.db2.gz YBYYZIPPPMGVNP-SECBINFHSA-N 1 1 288.731 1.423 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(OCc2noc(C[NH3+])n2)n1 ZINC000563079455 293266117 /nfs/dbraw/zinc/26/61/17/293266117.db2.gz LKYVLZBDMPRTBY-UHFFFAOYSA-N 1 1 279.256 1.027 20 5 CDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646919 323291605 /nfs/dbraw/zinc/29/16/05/323291605.db2.gz NKOXCTSAIXTTHG-SNVBAGLBSA-N 1 1 284.316 1.065 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355159 521714604 /nfs/dbraw/zinc/71/46/04/521714604.db2.gz XQCMOHCBFCILPS-NXEZZACHSA-N 1 1 294.359 1.106 20 5 CDBDMO COc1cc(C[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184221980 522350863 /nfs/dbraw/zinc/35/08/63/522350863.db2.gz NWCKJLFDZTWGNW-MRVPVSSYSA-N 1 1 272.276 1.555 20 5 CDBDMO COc1cc(C[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000184221980 522350875 /nfs/dbraw/zinc/35/08/75/522350875.db2.gz NWCKJLFDZTWGNW-MRVPVSSYSA-N 1 1 272.276 1.555 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068806322 523889807 /nfs/dbraw/zinc/88/98/07/523889807.db2.gz HTNHYVATJSTLFI-LLVKDONJSA-N 1 1 298.774 1.906 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000061708149 527349791 /nfs/dbraw/zinc/34/97/91/527349791.db2.gz DCFKZYCZTNZYQQ-SNVBAGLBSA-N 1 1 256.689 1.815 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000061708149 527349793 /nfs/dbraw/zinc/34/97/93/527349793.db2.gz DCFKZYCZTNZYQQ-SNVBAGLBSA-N 1 1 256.689 1.815 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000304362845 528670947 /nfs/dbraw/zinc/67/09/47/528670947.db2.gz UMQYXEQVYKPICA-CQSZACIVSA-N 1 1 296.371 1.807 20 5 CDBDMO CC(C)(O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900269 535300960 /nfs/dbraw/zinc/30/09/60/535300960.db2.gz HPVMEQPMCGSDAT-AWEZNQCLSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000768774544 576307472 /nfs/dbraw/zinc/30/74/72/576307472.db2.gz VESSYSFSXLBABD-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H](C)OC)c1[N+](=O)[O-] ZINC000894436494 618886664 /nfs/dbraw/zinc/88/66/64/618886664.db2.gz XAHKGAQSDHHPRG-SECBINFHSA-N 1 1 284.312 1.776 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)C[C@@H](C)OC)c1[N+](=O)[O-] ZINC000894436494 618886668 /nfs/dbraw/zinc/88/66/68/618886668.db2.gz XAHKGAQSDHHPRG-SECBINFHSA-N 1 1 284.312 1.776 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000894470818 618906435 /nfs/dbraw/zinc/90/64/35/618906435.db2.gz IPRGHBISOPZVQI-LBPRGKRZSA-N 1 1 296.323 1.512 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246807 619492631 /nfs/dbraw/zinc/49/26/31/619492631.db2.gz QJFWWTUNAVMLGU-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000895246807 619492635 /nfs/dbraw/zinc/49/26/35/619492635.db2.gz QJFWWTUNAVMLGU-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246807 619492641 /nfs/dbraw/zinc/49/26/41/619492641.db2.gz QJFWWTUNAVMLGU-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246807 619492647 /nfs/dbraw/zinc/49/26/47/619492647.db2.gz QJFWWTUNAVMLGU-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO COCC1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000895972347 619929888 /nfs/dbraw/zinc/92/98/88/619929888.db2.gz WYHMUACRTZHYCF-UHFFFAOYSA-N 1 1 250.298 1.981 20 5 CDBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000897684248 621072607 /nfs/dbraw/zinc/07/26/07/621072607.db2.gz LRFMRVABACMMRD-CAMLPZEUSA-N 1 1 262.309 1.921 20 5 CDBDMO C[C@H](CNCC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905103940 626621279 /nfs/dbraw/zinc/62/12/79/626621279.db2.gz BPXCNCJVQLYEOU-GFCCVEGCSA-N 1 1 251.330 1.373 20 5 CDBDMO C[C@H](CNCC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905103940 626621281 /nfs/dbraw/zinc/62/12/81/626621281.db2.gz BPXCNCJVQLYEOU-GFCCVEGCSA-N 1 1 251.330 1.373 20 5 CDBDMO C[NH+](C)[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905143478 626655524 /nfs/dbraw/zinc/65/55/24/626655524.db2.gz AHPAJMDLWRYZFE-GFCCVEGCSA-N 1 1 271.748 1.809 20 5 CDBDMO C[C@@H](c1ccncc1)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905182109 626664619 /nfs/dbraw/zinc/66/46/19/626664619.db2.gz WREZDMRCUNEIDC-LBPRGKRZSA-N 1 1 278.356 1.473 20 5 CDBDMO C[C@H]1[C@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905259929 626710129 /nfs/dbraw/zinc/71/01/29/626710129.db2.gz IRRDQSVXBHWBSE-GXTWGEPZSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@H]1[C@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905259929 626710131 /nfs/dbraw/zinc/71/01/31/626710131.db2.gz IRRDQSVXBHWBSE-GXTWGEPZSA-N 1 1 263.341 1.516 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712324317 1161985868 /nfs/dbraw/zinc/98/58/68/1161985868.db2.gz WPPINERBKZTMKQ-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000712324317 1161985869 /nfs/dbraw/zinc/98/58/69/1161985869.db2.gz WPPINERBKZTMKQ-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC=CCC1 ZINC001593482266 1174083702 /nfs/dbraw/zinc/08/37/02/1174083702.db2.gz NZIRERXYIKBDCK-UHFFFAOYSA-N 1 1 286.295 1.537 20 5 CDBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC=CCC1 ZINC001593482266 1174083708 /nfs/dbraw/zinc/08/37/08/1174083708.db2.gz NZIRERXYIKBDCK-UHFFFAOYSA-N 1 1 286.295 1.537 20 5 CDBDMO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001754980388 1185777378 /nfs/dbraw/zinc/77/73/78/1185777378.db2.gz APIDSYKHNBKLFI-CDJBXZAQSA-N 1 1 295.383 1.636 20 5 CDBDMO Cc1cnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408068094 719153367 /nfs/dbraw/zinc/15/33/67/719153367.db2.gz RKRZROQHNRARDO-GHMZBOCLSA-N 1 1 264.329 1.827 20 5 CDBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[N+](=O)[O-] ZINC000823196006 823843478 /nfs/dbraw/zinc/84/34/78/823843478.db2.gz RTMZWMBCPNZAND-GFCCVEGCSA-N 1 1 283.372 1.422 20 5 CDBDMO NC(=O)C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000049056824 828370888 /nfs/dbraw/zinc/37/08/88/828370888.db2.gz MIFZZDHMOSCPTD-UHFFFAOYSA-N 1 1 284.341 1.018 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000928570014 824107885 /nfs/dbraw/zinc/10/78/85/824107885.db2.gz PYONDHZBJNEZHZ-QMMMGPOBSA-N 1 1 255.299 1.090 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000928570014 824107889 /nfs/dbraw/zinc/10/78/89/824107889.db2.gz PYONDHZBJNEZHZ-QMMMGPOBSA-N 1 1 255.299 1.090 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000885959334 824165901 /nfs/dbraw/zinc/16/59/01/824165901.db2.gz YSQTUVQEDUVLOJ-NSHDSACASA-N 1 1 265.313 1.848 20 5 CDBDMO CN1CC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675092 824410676 /nfs/dbraw/zinc/41/06/76/824410676.db2.gz UXAYIEMPBYTBMQ-ZDUSSCGKSA-N 1 1 299.758 1.404 20 5 CDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000886597445 824767122 /nfs/dbraw/zinc/76/71/22/824767122.db2.gz DVSAKQUTSBACCA-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000886597445 824767162 /nfs/dbraw/zinc/76/71/62/824767162.db2.gz DVSAKQUTSBACCA-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832224990 824802011 /nfs/dbraw/zinc/80/20/11/824802011.db2.gz IIXPQRJQZNPLPV-PRHODGIISA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832224990 824802013 /nfs/dbraw/zinc/80/20/13/824802013.db2.gz IIXPQRJQZNPLPV-PRHODGIISA-N 1 1 254.261 1.689 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000930459236 824814944 /nfs/dbraw/zinc/81/49/44/824814944.db2.gz FMZRSBJKKXLOMA-QMMMGPOBSA-N 1 1 256.224 1.042 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000930459236 824814945 /nfs/dbraw/zinc/81/49/45/824814945.db2.gz FMZRSBJKKXLOMA-QMMMGPOBSA-N 1 1 256.224 1.042 20 5 CDBDMO C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889859 824816716 /nfs/dbraw/zinc/81/67/16/824816716.db2.gz PKRXRKLAOHFOAD-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO CCNC(=O)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886217754 824833294 /nfs/dbraw/zinc/83/32/94/824833294.db2.gz HBVXIWLYJOVJIV-NSHDSACASA-N 1 1 280.328 1.240 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839673941 824838003 /nfs/dbraw/zinc/83/80/03/824838003.db2.gz BKRPMXODFXIIFS-IACUBPJLSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839673941 824838010 /nfs/dbraw/zinc/83/80/10/824838010.db2.gz BKRPMXODFXIIFS-IACUBPJLSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839673941 824838011 /nfs/dbraw/zinc/83/80/11/824838011.db2.gz BKRPMXODFXIIFS-IACUBPJLSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000852702189 825128648 /nfs/dbraw/zinc/12/86/48/825128648.db2.gz HXLGALBLARMVQO-KCPJHIHWSA-N 1 1 294.351 1.579 20 5 CDBDMO C[N@H+](CC1CCOCC1)Cn1nccc1[N+](=O)[O-] ZINC000124750571 825147450 /nfs/dbraw/zinc/14/74/50/825147450.db2.gz MGMMBWWSGJRRNZ-UHFFFAOYSA-N 1 1 254.290 1.107 20 5 CDBDMO C[N@@H+](CC1CCOCC1)Cn1nccc1[N+](=O)[O-] ZINC000124750571 825147460 /nfs/dbraw/zinc/14/74/60/825147460.db2.gz MGMMBWWSGJRRNZ-UHFFFAOYSA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1CN(CC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000930646085 825214661 /nfs/dbraw/zinc/21/46/61/825214661.db2.gz APKNOBKEPDGKDJ-CQSZACIVSA-N 1 1 277.368 1.717 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000886861816 825274743 /nfs/dbraw/zinc/27/47/43/825274743.db2.gz NDPDGYWGKVCMQZ-LBPRGKRZSA-N 1 1 293.323 1.568 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843240369 825368603 /nfs/dbraw/zinc/36/86/03/825368603.db2.gz VLRCYQANSJTFRT-UHFFFAOYSA-N 1 1 292.295 1.689 20 5 CDBDMO CC[N@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863552369 828804771 /nfs/dbraw/zinc/80/47/71/828804771.db2.gz YOHDIXUMGLKQGS-UHFFFAOYSA-N 1 1 298.318 1.343 20 5 CDBDMO CC[N@@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000863552369 828804772 /nfs/dbraw/zinc/80/47/72/828804772.db2.gz YOHDIXUMGLKQGS-UHFFFAOYSA-N 1 1 298.318 1.343 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786956420 825859504 /nfs/dbraw/zinc/85/95/04/825859504.db2.gz DQXQKTDFYGZAAJ-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497595 826072473 /nfs/dbraw/zinc/07/24/73/826072473.db2.gz ROFNHTZNZRARJT-UHFFFAOYSA-N 1 1 266.301 1.457 20 5 CDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886082908 826273877 /nfs/dbraw/zinc/27/38/77/826273877.db2.gz CCCNVVCIKUECTD-JQWIXIFHSA-N 1 1 265.313 1.725 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCn3cc[nH+]c32)c1 ZINC000931521059 826378525 /nfs/dbraw/zinc/37/85/25/826378525.db2.gz DEVVKPJXABTELT-LBPRGKRZSA-N 1 1 274.280 1.345 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000885972826 826506448 /nfs/dbraw/zinc/50/64/48/826506448.db2.gz LNESXJWJKHQCQH-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000885972826 826506451 /nfs/dbraw/zinc/50/64/51/826506451.db2.gz LNESXJWJKHQCQH-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000931666285 826570029 /nfs/dbraw/zinc/57/00/29/826570029.db2.gz NDRRXLLYQYCECB-ZDUSSCGKSA-N 1 1 296.323 1.462 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1O ZINC000159459530 826640476 /nfs/dbraw/zinc/64/04/76/826640476.db2.gz PWBRBHIHGUBREJ-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1O ZINC000159459530 826640491 /nfs/dbraw/zinc/64/04/91/826640491.db2.gz PWBRBHIHGUBREJ-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000831618783 826690777 /nfs/dbraw/zinc/69/07/77/826690777.db2.gz RZIMVPMCMAMLIT-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000831618783 826690804 /nfs/dbraw/zinc/69/08/04/826690804.db2.gz RZIMVPMCMAMLIT-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO CC(C)(C)OC(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052094 826996234 /nfs/dbraw/zinc/99/62/34/826996234.db2.gz KXEGVWRKQCRNCR-UHFFFAOYSA-N 1 1 273.333 1.252 20 5 CDBDMO COCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H](C)C1 ZINC000790477713 827011330 /nfs/dbraw/zinc/01/13/30/827011330.db2.gz IWVAZMBDLYNELE-NWDGAFQWSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H](C)C1 ZINC000790477713 827011343 /nfs/dbraw/zinc/01/13/43/827011343.db2.gz IWVAZMBDLYNELE-NWDGAFQWSA-N 1 1 282.344 1.886 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(N)=O ZINC000887061193 827325615 /nfs/dbraw/zinc/32/56/15/827325615.db2.gz NEFRYZTUJPOSTP-XVKPBYJWSA-N 1 1 271.342 1.646 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000856796740 827356460 /nfs/dbraw/zinc/35/64/60/827356460.db2.gz ZDIASTVDWADNEZ-KYOSRNDESA-N 1 1 294.351 1.579 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286766017 827835155 /nfs/dbraw/zinc/83/51/55/827835155.db2.gz HWVPBOGLJUVRDA-UHFFFAOYSA-N 1 1 264.329 1.707 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246205829 828148696 /nfs/dbraw/zinc/14/86/96/828148696.db2.gz BLAVCNOPPHACSK-AAEUAGOBSA-N 1 1 279.344 1.165 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)C1 ZINC001173221643 912304127 /nfs/dbraw/zinc/30/41/27/912304127.db2.gz KUWKZYSEKPPQIP-RISCZKNCSA-N 1 1 264.325 1.983 20 5 CDBDMO CCCCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258890 906148569 /nfs/dbraw/zinc/14/85/69/906148569.db2.gz XFOIHHWKQCPHDK-CHWSQXEVSA-N 1 1 283.372 1.422 20 5 CDBDMO CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002789970 921237959 /nfs/dbraw/zinc/23/79/59/921237959.db2.gz ZDWBJHRYFIPJLG-CHWSQXEVSA-N 1 1 283.372 1.278 20 5 CDBDMO 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Cc1c(C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000050116730 359318086 /nfs/dbraw/zinc/31/80/86/359318086.db2.gz AGHKVHSDZDFEQZ-LBPRGKRZSA-N 1 1 250.298 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000050104488 359303844 /nfs/dbraw/zinc/30/38/44/359303844.db2.gz XDHJYCZBLNOMKJ-ZDUSSCGKSA-N 1 1 264.325 1.842 20 5 CDBDMO CC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037622 359277403 /nfs/dbraw/zinc/27/74/03/359277403.db2.gz NDFXUNQHVWRKDR-PWSUYJOCSA-N 1 1 280.328 1.247 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000112925443 359365831 /nfs/dbraw/zinc/36/58/31/359365831.db2.gz WJULAMXDGSAWAB-UHFFFAOYSA-N 1 1 295.339 1.432 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000339819485 359457584 /nfs/dbraw/zinc/45/75/84/359457584.db2.gz MBURUQWZIAAGIU-LBPRGKRZSA-N 1 1 282.344 1.575 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000339819485 359457590 /nfs/dbraw/zinc/45/75/90/359457590.db2.gz MBURUQWZIAAGIU-LBPRGKRZSA-N 1 1 282.344 1.575 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000385768655 359931583 /nfs/dbraw/zinc/93/15/83/359931583.db2.gz ALLYZYYENSBBCC-CMPLNLGQSA-N 1 1 280.324 1.806 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298109377 200335996 /nfs/dbraw/zinc/33/59/96/200335996.db2.gz JMIMJPXFVQNNOX-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154668953 360377623 /nfs/dbraw/zinc/37/76/23/360377623.db2.gz FARNWWHTBPDLMD-LBPRGKRZSA-N 1 1 295.314 1.487 20 5 CDBDMO C[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022040 189086608 /nfs/dbraw/zinc/08/66/08/189086608.db2.gz WCSHIARCNDYWKD-AWEZNQCLSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1nc(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301671194 201126372 /nfs/dbraw/zinc/12/63/72/201126372.db2.gz QMVNKSIDGOQIIJ-NSHDSACASA-N 1 1 294.355 1.678 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 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1.368 20 5 CDBDMO CCc1nn(C)c(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420636987 244303607 /nfs/dbraw/zinc/30/36/07/244303607.db2.gz OCGUXULFWPLNFD-SNVBAGLBSA-N 1 1 281.360 1.421 20 5 CDBDMO CC[N@@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179162791 372251039 /nfs/dbraw/zinc/25/10/39/372251039.db2.gz TWXQFTDJAWMOAW-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1ccnc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000278464031 374297133 /nfs/dbraw/zinc/29/71/33/374297133.db2.gz BMBIGKRNWGONRK-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000375695966 374507338 /nfs/dbraw/zinc/50/73/38/374507338.db2.gz GFNRLSJQHRXLEE-NWDGAFQWSA-N 1 1 292.339 1.452 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081555682 374519516 /nfs/dbraw/zinc/51/95/16/374519516.db2.gz RNLVMKPTYFAYBJ-LLVKDONJSA-N 1 1 295.339 1.288 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000153953331 374671288 /nfs/dbraw/zinc/67/12/88/374671288.db2.gz RQBGGNGCDPQFTP-SNVBAGLBSA-N 1 1 295.343 1.026 20 5 CDBDMO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000153953331 374671299 /nfs/dbraw/zinc/67/12/99/374671299.db2.gz RQBGGNGCDPQFTP-SNVBAGLBSA-N 1 1 295.343 1.026 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000153953331 374671306 /nfs/dbraw/zinc/67/13/06/374671306.db2.gz RQBGGNGCDPQFTP-SNVBAGLBSA-N 1 1 295.343 1.026 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000277899864 374823234 /nfs/dbraw/zinc/82/32/34/374823234.db2.gz XOELGJLFATVJFR-CHWSQXEVSA-N 1 1 293.367 1.795 20 5 CDBDMO COc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331036535 374881987 /nfs/dbraw/zinc/88/19/87/374881987.db2.gz ADDYVDULTSIISN-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331036535 374881991 /nfs/dbraw/zinc/88/19/91/374881991.db2.gz ADDYVDULTSIISN-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331234628 374910417 /nfs/dbraw/zinc/91/04/17/374910417.db2.gz DLGKTSDAUUOSSZ-LLVKDONJSA-N 1 1 293.323 1.467 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331234628 374910425 /nfs/dbraw/zinc/91/04/25/374910425.db2.gz DLGKTSDAUUOSSZ-LLVKDONJSA-N 1 1 293.323 1.467 20 5 CDBDMO COc1ccc(C[N@@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000332427738 375030724 /nfs/dbraw/zinc/03/07/24/375030724.db2.gz GCVDYTULONJHAS-UHFFFAOYSA-N 1 1 266.297 1.559 20 5 CDBDMO CN1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000282405273 375084121 /nfs/dbraw/zinc/08/41/21/375084121.db2.gz IDSFJUDSUNFQNQ-ZDUSSCGKSA-N 1 1 277.324 1.300 20 5 CDBDMO C[N@@H+](CCOCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282516184 375090564 /nfs/dbraw/zinc/09/05/64/375090564.db2.gz SNSRRIGRWCYIMM-UHFFFAOYSA-N 1 1 268.313 1.078 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000304293289 375427141 /nfs/dbraw/zinc/42/71/41/375427141.db2.gz MTTZULZUIBHYFL-LBPRGKRZSA-N 1 1 280.324 1.678 20 5 CDBDMO Cc1c(C[N@H+]2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347306462 375496333 /nfs/dbraw/zinc/49/63/33/375496333.db2.gz IVZMTXMWONGOAI-BETUJISGSA-N 1 1 280.324 1.221 20 5 CDBDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305230544 375576428 /nfs/dbraw/zinc/57/64/28/375576428.db2.gz RNCBSGLQYLOCIF-YRGRVCCFSA-N 1 1 296.371 1.520 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000058158446 375672644 /nfs/dbraw/zinc/67/26/44/375672644.db2.gz YYJKIUVBZAAPCG-LLVKDONJSA-N 1 1 275.308 1.561 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195009048 375975437 /nfs/dbraw/zinc/97/54/37/375975437.db2.gz FJPSWQBLDVYNCQ-UHFFFAOYSA-N 1 1 279.340 1.895 20 5 CDBDMO COc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000487034751 376569892 /nfs/dbraw/zinc/56/98/92/376569892.db2.gz FJOYSEMZAVEERQ-MWLCHTKSSA-N 1 1 293.323 1.740 20 5 CDBDMO Cc1cccc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000218824073 377300674 /nfs/dbraw/zinc/30/06/74/377300674.db2.gz MZAJVVJYSPWUCK-UHFFFAOYSA-N 1 1 265.313 1.018 20 5 CDBDMO CC(C)[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000487109564 377498770 /nfs/dbraw/zinc/49/87/70/377498770.db2.gz HFUMITQMCVMRCE-SNVBAGLBSA-N 1 1 267.333 1.105 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282438467 378039828 /nfs/dbraw/zinc/03/98/28/378039828.db2.gz HXBDWAXNJGXPKR-UHFFFAOYSA-N 1 1 272.276 1.175 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000190865786 378992535 /nfs/dbraw/zinc/99/25/35/378992535.db2.gz PXINUFKIZOIJMZ-QWRGUYRKSA-N 1 1 298.339 1.167 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCNc1ncccc1[N+](=O)[O-] ZINC000289158463 197249441 /nfs/dbraw/zinc/24/94/41/197249441.db2.gz UFXGARHGUXGDFP-UHFFFAOYSA-N 1 1 281.360 1.285 20 5 CDBDMO CN(CCCNc1ncccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289158463 197249443 /nfs/dbraw/zinc/24/94/43/197249443.db2.gz UFXGARHGUXGDFP-UHFFFAOYSA-N 1 1 281.360 1.285 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1COCCO1)CC2 ZINC000450489736 285142669 /nfs/dbraw/zinc/14/26/69/285142669.db2.gz YEPBTVFYQYMXEU-AWEZNQCLSA-N 1 1 278.308 1.368 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1COCCO1)CC2 ZINC000450489736 285142670 /nfs/dbraw/zinc/14/26/70/285142670.db2.gz YEPBTVFYQYMXEU-AWEZNQCLSA-N 1 1 278.308 1.368 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)CCO2 ZINC000352679840 285142707 /nfs/dbraw/zinc/14/27/07/285142707.db2.gz RWOKZWPKPSDZTL-NSHDSACASA-N 1 1 278.308 1.826 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)CCOC ZINC000289033522 197218292 /nfs/dbraw/zinc/21/82/92/197218292.db2.gz YPSDLMGIVVNAJU-UHFFFAOYSA-N 1 1 285.348 1.110 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000103247506 390474184 /nfs/dbraw/zinc/47/41/84/390474184.db2.gz FIJOSJNAFBMBFT-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO C[C@H](CC[NH+](C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356633578 391083916 /nfs/dbraw/zinc/08/39/16/391083916.db2.gz XAUFYKCGAOGIMQ-SECBINFHSA-N 1 1 281.312 1.370 20 5 CDBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413108738 391157967 /nfs/dbraw/zinc/15/79/67/391157967.db2.gz FIJHTPZAXSQDIH-UHFFFAOYSA-N 1 1 272.280 1.119 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413127280 391162695 /nfs/dbraw/zinc/16/26/95/391162695.db2.gz ASLLPBWALHIUFL-SECBINFHSA-N 1 1 284.291 1.262 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1C1CC1 ZINC000177154648 533638213 /nfs/dbraw/zinc/63/82/13/533638213.db2.gz KWDGFXBPMGUIQY-RKDXNWHRSA-N 1 1 279.296 1.543 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186806484 391829916 /nfs/dbraw/zinc/82/99/16/391829916.db2.gz SDEQPUQBKKYZFI-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186806484 391829917 /nfs/dbraw/zinc/82/99/17/391829917.db2.gz SDEQPUQBKKYZFI-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209151 391905737 /nfs/dbraw/zinc/90/57/37/391905737.db2.gz AFGXXYQTFPMXPV-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590761977 391922067 /nfs/dbraw/zinc/92/20/67/391922067.db2.gz QBXCJSAAYYPICU-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590761977 391922075 /nfs/dbraw/zinc/92/20/75/391922075.db2.gz QBXCJSAAYYPICU-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO Cc1noc(CN2CCN(C)c3[nH+]cccc32)c1[N+](=O)[O-] ZINC000595401771 392564214 /nfs/dbraw/zinc/56/42/14/392564214.db2.gz PQFZEBTXKGXRGE-UHFFFAOYSA-N 1 1 289.295 1.743 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(CCC3)C2)c1 ZINC000123239116 392759952 /nfs/dbraw/zinc/75/99/52/392759952.db2.gz OEGVDGNBWZOJTL-LBPRGKRZSA-N 1 1 280.328 1.028 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C)CC1 ZINC000267992834 131942961 /nfs/dbraw/zinc/94/29/61/131942961.db2.gz RVOZCNWXVFWPJY-UHFFFAOYSA-N 1 1 292.339 1.991 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420985343 392924019 /nfs/dbraw/zinc/92/40/19/392924019.db2.gz KQGAQAPLUULTNV-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@H]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000429587340 393083183 /nfs/dbraw/zinc/08/31/83/393083183.db2.gz FRVACHFIVNPEKH-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000430213206 393093427 /nfs/dbraw/zinc/09/34/27/393093427.db2.gz SAWZWQVWGBBDAS-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228104618 140190552 /nfs/dbraw/zinc/19/05/52/140190552.db2.gz IOVDLJGESYNUFQ-NWANDNLSSA-N 1 1 276.336 1.840 20 5 CDBDMO CCn1nccc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000352364977 155136374 /nfs/dbraw/zinc/13/63/74/155136374.db2.gz LKWHQNHMXMPXKN-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO CCn1nccc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000352364977 155136378 /nfs/dbraw/zinc/13/63/78/155136378.db2.gz LKWHQNHMXMPXKN-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO COc1cc(C[N@@H+](CCO)CC2CC2)c([N+](=O)[O-])cc1F ZINC000352490758 155223248 /nfs/dbraw/zinc/22/32/48/155223248.db2.gz KXYOABHVOXALQH-UHFFFAOYSA-N 1 1 298.314 1.947 20 5 CDBDMO C[C@H](O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621734 155309406 /nfs/dbraw/zinc/30/94/06/155309406.db2.gz UGJNREQHMDQMKW-NSHDSACASA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@H](O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621734 155309407 /nfs/dbraw/zinc/30/94/07/155309407.db2.gz UGJNREQHMDQMKW-NSHDSACASA-N 1 1 280.324 1.950 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352659474 155331039 /nfs/dbraw/zinc/33/10/39/155331039.db2.gz JTPPKHMUGCLQKJ-QWHCGFSZSA-N 1 1 250.298 1.940 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCn1cncn1)C1CC1 ZINC000346974053 153364350 /nfs/dbraw/zinc/36/43/50/153364350.db2.gz IXSCHYCERBSRHB-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCn1cncn1)C1CC1 ZINC000346974053 153364353 /nfs/dbraw/zinc/36/43/53/153364353.db2.gz IXSCHYCERBSRHB-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000349873010 154250544 /nfs/dbraw/zinc/25/05/44/154250544.db2.gz JJMVFXDBFGZNAS-UWVGGRQHSA-N 1 1 295.343 1.311 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3ncnc3C2)cc1 ZINC000352274332 155068671 /nfs/dbraw/zinc/06/86/71/155068671.db2.gz LKSIAQMWNMUGSY-UHFFFAOYSA-N 1 1 273.296 1.245 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3ncnc3C2)cc1 ZINC000352274332 155068673 /nfs/dbraw/zinc/06/86/73/155068673.db2.gz LKSIAQMWNMUGSY-UHFFFAOYSA-N 1 1 273.296 1.245 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000353862278 156130078 /nfs/dbraw/zinc/13/00/78/156130078.db2.gz BVRCDAVSZRYOGA-CYBMUJFWSA-N 1 1 294.307 1.682 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000353862278 156130080 /nfs/dbraw/zinc/13/00/80/156130080.db2.gz BVRCDAVSZRYOGA-CYBMUJFWSA-N 1 1 294.307 1.682 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000362098239 159071007 /nfs/dbraw/zinc/07/10/07/159071007.db2.gz QDBNHDBXBCISFK-ONGXEEELSA-N 1 1 298.314 1.803 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000362098239 159071009 /nfs/dbraw/zinc/07/10/09/159071009.db2.gz QDBNHDBXBCISFK-ONGXEEELSA-N 1 1 298.314 1.803 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097782 159295619 /nfs/dbraw/zinc/29/56/19/159295619.db2.gz KECKGDFHAVPLBS-GXTWGEPZSA-N 1 1 289.335 1.951 20 5 CDBDMO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000372114960 160081139 /nfs/dbraw/zinc/08/11/39/160081139.db2.gz BKGVMGDGAUQBOZ-OAHLLOKOSA-N 1 1 291.351 1.501 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000285199891 196220266 /nfs/dbraw/zinc/22/02/66/196220266.db2.gz CYKARDQYTQDVIH-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CC1 ZINC000285199891 196220268 /nfs/dbraw/zinc/22/02/68/196220268.db2.gz CYKARDQYTQDVIH-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[NH2+]CCCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414857790 273960093 /nfs/dbraw/zinc/96/00/93/273960093.db2.gz GCWUJBKKNLVMOY-NSHDSACASA-N 1 1 294.355 1.511 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000338721976 274118428 /nfs/dbraw/zinc/11/84/28/274118428.db2.gz BROMGEMZXRQXOJ-ZIAGYGMSSA-N 1 1 293.323 1.123 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286688158 274270838 /nfs/dbraw/zinc/27/08/38/274270838.db2.gz NPGSDHHYDAZNDX-SNVBAGLBSA-N 1 1 299.758 1.751 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067744 274368986 /nfs/dbraw/zinc/36/89/86/274368986.db2.gz NXXYQKOQBCFNTJ-RKDXNWHRSA-N 1 1 295.368 1.833 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000357625381 277124437 /nfs/dbraw/zinc/12/44/37/277124437.db2.gz VXZBVRCRLDQYOL-NWDGAFQWSA-N 1 1 281.287 1.253 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000049238490 277251818 /nfs/dbraw/zinc/25/18/18/277251818.db2.gz IVHXMMSJHZDYQR-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO CC(C)(c1nc(C[NH3+])no1)c1ccccc1[N+](=O)[O-] ZINC000572036106 294546004 /nfs/dbraw/zinc/54/60/04/294546004.db2.gz FQMRVLMOXIKNLL-UHFFFAOYSA-N 1 1 262.269 1.762 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000574739681 295045808 /nfs/dbraw/zinc/04/58/08/295045808.db2.gz YJMRCQQOLPRESQ-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CCC[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000350644765 316189579 /nfs/dbraw/zinc/18/95/79/316189579.db2.gz PIJIQSPZWXNRQD-UHFFFAOYSA-N 1 1 291.311 1.805 20 5 CDBDMO CCC[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000350644765 316189582 /nfs/dbraw/zinc/18/95/82/316189582.db2.gz PIJIQSPZWXNRQD-UHFFFAOYSA-N 1 1 291.311 1.805 20 5 CDBDMO CC(C)(C(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000337300608 518523058 /nfs/dbraw/zinc/52/30/58/518523058.db2.gz WIOLUOQSRJOVGJ-UHFFFAOYSA-N 1 1 291.351 1.694 20 5 CDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000340618985 519674317 /nfs/dbraw/zinc/67/43/17/519674317.db2.gz DJMXJWLNKIHNTI-UHFFFAOYSA-N 1 1 280.328 1.479 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)c1 ZINC000338552523 521279169 /nfs/dbraw/zinc/27/91/69/521279169.db2.gz QAROMVZUZMWADP-UHFFFAOYSA-N 1 1 293.323 1.429 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355173 521720441 /nfs/dbraw/zinc/72/04/41/521720441.db2.gz XQCMOHCBFCILPS-ZJUUUORDSA-N 1 1 294.359 1.106 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673678 523596488 /nfs/dbraw/zinc/59/64/88/523596488.db2.gz LMGGXQVSCVIHLT-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000156299505 524905630 /nfs/dbraw/zinc/90/56/30/524905630.db2.gz VQFNRFWQQYIJCO-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H](C)O ZINC000156299505 524905634 /nfs/dbraw/zinc/90/56/34/524905634.db2.gz VQFNRFWQQYIJCO-SNVBAGLBSA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1ccn(CC[C@H]2CCCC[N@@H+]2C)c(=O)c1[N+](=O)[O-] ZINC000340696813 525600897 /nfs/dbraw/zinc/60/08/97/525600897.db2.gz WLMFVCMEFWAZMZ-GFCCVEGCSA-N 1 1 279.340 1.939 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000291790309 528827453 /nfs/dbraw/zinc/82/74/53/528827453.db2.gz GIJGPOIBGUYVFU-SNVBAGLBSA-N 1 1 294.355 1.636 20 5 CDBDMO CCc1nn(C)c(NCC[N@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000220003363 536181526 /nfs/dbraw/zinc/18/15/26/536181526.db2.gz CBJAPIZKLNFHHA-UHFFFAOYSA-N 1 1 281.360 1.787 20 5 CDBDMO CNC(=O)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000733999306 575151324 /nfs/dbraw/zinc/15/13/24/575151324.db2.gz GDRQBNJIFVVBQR-UHFFFAOYSA-N 1 1 295.314 1.882 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401445 575575191 /nfs/dbraw/zinc/57/51/91/575575191.db2.gz DVZOWBBLZAWWSM-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401445 575575193 /nfs/dbraw/zinc/57/51/93/575575193.db2.gz DVZOWBBLZAWWSM-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773255357 575795484 /nfs/dbraw/zinc/79/54/84/575795484.db2.gz HOGZGAUVZPWGDF-QWHCGFSZSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773255357 575795486 /nfs/dbraw/zinc/79/54/86/575795486.db2.gz HOGZGAUVZPWGDF-QWHCGFSZSA-N 1 1 294.355 1.887 20 5 CDBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000767545879 576202899 /nfs/dbraw/zinc/20/28/99/576202899.db2.gz FQJDEZVVNAXOAT-UHFFFAOYSA-N 1 1 292.295 1.685 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749800678 576963467 /nfs/dbraw/zinc/96/34/67/576963467.db2.gz SJKITXISUDACQR-WDEREUQCSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749800678 576963468 /nfs/dbraw/zinc/96/34/68/576963468.db2.gz SJKITXISUDACQR-WDEREUQCSA-N 1 1 266.301 1.107 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756997980 577019654 /nfs/dbraw/zinc/01/96/54/577019654.db2.gz JEGGTMZFATWEIX-SECBINFHSA-N 1 1 297.742 1.816 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894663058 619006954 /nfs/dbraw/zinc/00/69/54/619006954.db2.gz GDDRRZXELUEEBO-JTQLQIEISA-N 1 1 284.312 1.512 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928567662 619405068 /nfs/dbraw/zinc/40/50/68/619405068.db2.gz YBGPBYJDDVOHDY-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928567662 619405072 /nfs/dbraw/zinc/40/50/72/619405072.db2.gz YBGPBYJDDVOHDY-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573226 619423897 /nfs/dbraw/zinc/42/38/97/619423897.db2.gz NLTPLTCINVYKDT-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000928573226 619423901 /nfs/dbraw/zinc/42/39/01/619423901.db2.gz NLTPLTCINVYKDT-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895245962 619492359 /nfs/dbraw/zinc/49/23/59/619492359.db2.gz KSAMRHORHAZNOH-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895245962 619492361 /nfs/dbraw/zinc/49/23/61/619492361.db2.gz KSAMRHORHAZNOH-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1nc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895245962 619492364 /nfs/dbraw/zinc/49/23/64/619492364.db2.gz KSAMRHORHAZNOH-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO C[N@H+]1CCC[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483250 632222001 /nfs/dbraw/zinc/22/20/01/632222001.db2.gz CDXMAEINFIUJMV-JTQLQIEISA-N 1 1 250.302 1.763 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327225 1162337704 /nfs/dbraw/zinc/33/77/04/1162337704.db2.gz GABUKHKGASLTAY-YPMHNXCESA-N 1 1 294.351 1.991 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(N[C@@H](N)CCC[NH3+])c1F ZINC001170902157 1164192799 /nfs/dbraw/zinc/19/27/99/1164192799.db2.gz BOYXGNZHYBUACX-SNVBAGLBSA-N 1 1 256.281 1.478 20 5 CDBDMO [NH3+]CC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001580284527 1172393207 /nfs/dbraw/zinc/39/32/07/1172393207.db2.gz HLLDHKCOGZSUJY-CYBMUJFWSA-N 1 1 279.340 1.269 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000357630733 719399673 /nfs/dbraw/zinc/39/96/73/719399673.db2.gz QJKCWZZGUDTJOV-RYUDHWBXSA-N 1 1 292.339 1.126 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[N+](=O)[O-] ZINC000822767663 828823008 /nfs/dbraw/zinc/82/30/08/828823008.db2.gz CITMBUWPCVAQMC-JTQLQIEISA-N 1 1 269.345 1.175 20 5 CDBDMO CC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000177184643 828833011 /nfs/dbraw/zinc/83/30/11/828833011.db2.gz QYTKMDIOPWUHHF-UHFFFAOYSA-N 1 1 290.323 1.749 20 5 CDBDMO CCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932969923 833268324 /nfs/dbraw/zinc/26/83/24/833268324.db2.gz RKJZLGIUJVEUFM-UONOGXRCSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886280526 828844643 /nfs/dbraw/zinc/84/46/43/828844643.db2.gz GIDLERJQBCFQJV-AAEUAGOBSA-N 1 1 263.297 1.458 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1(CO)CCC1 ZINC000886215782 828846247 /nfs/dbraw/zinc/84/62/47/828846247.db2.gz RBXCEJSPKLRIBE-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1(CO)CCC1 ZINC000886215782 828846248 /nfs/dbraw/zinc/84/62/48/828846248.db2.gz RBXCEJSPKLRIBE-UHFFFAOYSA-N 1 1 251.286 1.337 20 5 CDBDMO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccnn1C ZINC000886310065 828866517 /nfs/dbraw/zinc/86/65/17/828866517.db2.gz CQVPLGFHGSASPC-VIFPVBQESA-N 1 1 261.285 1.574 20 5 CDBDMO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726320 829091696 /nfs/dbraw/zinc/09/16/96/829091696.db2.gz TXEXQEKANLKGDI-VXGBXAGGSA-N 1 1 271.361 1.232 20 5 CDBDMO COC(=O)CC1([NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886267995 829134388 /nfs/dbraw/zinc/13/43/88/829134388.db2.gz YZMSTGISFCXRSV-UHFFFAOYSA-N 1 1 265.269 1.175 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000798195248 829378060 /nfs/dbraw/zinc/37/80/60/829378060.db2.gz MBFIAAIIPUUPHX-JTQLQIEISA-N 1 1 273.333 1.110 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000817131706 829589168 /nfs/dbraw/zinc/58/91/68/829589168.db2.gz LRDZPLSYHRLXDY-SECBINFHSA-N 1 1 291.311 1.661 20 5 CDBDMO C[N@@H+](CCC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425763 830196965 /nfs/dbraw/zinc/19/69/65/830196965.db2.gz IHNNBRBMTOKKBU-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO C[N@H+](CCC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425763 830196979 /nfs/dbraw/zinc/19/69/79/830196979.db2.gz IHNNBRBMTOKKBU-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO C[N@@H+](CCC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425763 830196987 /nfs/dbraw/zinc/19/69/87/830196987.db2.gz IHNNBRBMTOKKBU-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CN(CC[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000929764383 830205585 /nfs/dbraw/zinc/20/55/85/830205585.db2.gz PNGBXWADUMOMBF-HNNXBMFYSA-N 1 1 277.368 1.860 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CC[N+](=O)[O-] ZINC000791053672 830257924 /nfs/dbraw/zinc/25/79/24/830257924.db2.gz VOORYIGFWDSVKM-SNVBAGLBSA-N 1 1 273.333 1.252 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053672 830257931 /nfs/dbraw/zinc/25/79/31/830257931.db2.gz VOORYIGFWDSVKM-SNVBAGLBSA-N 1 1 273.333 1.252 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840151510 830391197 /nfs/dbraw/zinc/39/11/97/830391197.db2.gz GTNGVTCQTBJVEA-NSHDSACASA-N 1 1 267.333 1.163 20 5 CDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839572762 830456297 /nfs/dbraw/zinc/45/62/97/830456297.db2.gz VNJZFUHEBHRHOZ-NZEXEKPDSA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572762 830456310 /nfs/dbraw/zinc/45/63/10/830456310.db2.gz VNJZFUHEBHRHOZ-NZEXEKPDSA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572762 830456325 /nfs/dbraw/zinc/45/63/25/830456325.db2.gz VNJZFUHEBHRHOZ-NZEXEKPDSA-N 1 1 283.372 1.134 20 5 CDBDMO CC[N@@H+](CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059942 830504116 /nfs/dbraw/zinc/50/41/16/830504116.db2.gz JFFYOBNXELCZHI-HNNXBMFYSA-N 1 1 295.383 1.948 20 5 CDBDMO CCN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000819059942 830504129 /nfs/dbraw/zinc/50/41/29/830504129.db2.gz JFFYOBNXELCZHI-HNNXBMFYSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[NH2+][C@@H](C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000863664025 832126501 /nfs/dbraw/zinc/12/65/01/832126501.db2.gz PQTRKCXASHROAB-QMMMGPOBSA-N 1 1 277.284 1.634 20 5 CDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839200734 832205130 /nfs/dbraw/zinc/20/51/30/832205130.db2.gz ZMEVSFVFOPSDAH-CMPLNLGQSA-N 1 1 270.260 1.237 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928564887 832255907 /nfs/dbraw/zinc/25/59/07/832255907.db2.gz GPCCFNPJOBUEKH-SECBINFHSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000928564887 832255913 /nfs/dbraw/zinc/25/59/13/832255913.db2.gz GPCCFNPJOBUEKH-SECBINFHSA-N 1 1 279.296 1.037 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000856795752 833830341 /nfs/dbraw/zinc/83/03/41/833830341.db2.gz IVKRKZQNOHWEDN-ZLDLUXBVSA-N 1 1 294.351 1.579 20 5 CDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cccnc1[N+](=O)[O-] ZINC000886202918 833836684 /nfs/dbraw/zinc/83/66/84/833836684.db2.gz HYCIKEHARFWAPE-QSLWVIQJSA-N 1 1 289.335 1.845 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000776272272 832419436 /nfs/dbraw/zinc/41/94/36/832419436.db2.gz SJMHCOUJQDWWAP-FZMZJTMJSA-N 1 1 280.324 1.333 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000884824305 832733687 /nfs/dbraw/zinc/73/36/87/832733687.db2.gz VLDCINMQFOXHBW-UHFFFAOYSA-N 1 1 257.265 1.070 20 5 CDBDMO CC[NH2+]Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185169 832840916 /nfs/dbraw/zinc/84/09/16/832840916.db2.gz OCHOXQDYUOYGPQ-UHFFFAOYSA-N 1 1 291.311 1.742 20 5 CDBDMO Cc1noc(CO[NH+]=C(N)CC2CC2)c1[N+](=O)[O-] ZINC000853672491 832854852 /nfs/dbraw/zinc/85/48/52/832854852.db2.gz GXQFHHSIRMVIFH-UHFFFAOYSA-N 1 1 254.246 1.690 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000088055698 832884892 /nfs/dbraw/zinc/88/48/92/832884892.db2.gz NOXGGNGSIJMEIL-KOLCDFICSA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000885981578 834116449 /nfs/dbraw/zinc/11/64/49/834116449.db2.gz JANZHXWITZDDNG-UHFFFAOYSA-N 1 1 293.323 1.575 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000110732376 834165074 /nfs/dbraw/zinc/16/50/74/834165074.db2.gz GPWMGQDKGNVSFT-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000110732376 834165128 /nfs/dbraw/zinc/16/51/28/834165128.db2.gz GPWMGQDKGNVSFT-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000779860648 834511727 /nfs/dbraw/zinc/51/17/27/834511727.db2.gz FPWVEYOYHGQOFL-NSHDSACASA-N 1 1 250.302 1.932 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000779860648 834511760 /nfs/dbraw/zinc/51/17/60/834511760.db2.gz FPWVEYOYHGQOFL-NSHDSACASA-N 1 1 250.302 1.932 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843187070 834801361 /nfs/dbraw/zinc/80/13/61/834801361.db2.gz KVFMJICECLQSRG-UHFFFAOYSA-N 1 1 292.295 1.689 20 5 CDBDMO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968311 834841939 /nfs/dbraw/zinc/84/19/39/834841939.db2.gz JFSAWPUFIFVYIP-ZYHUDNBSSA-N 1 1 278.356 1.970 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)C2)n1 ZINC000865914619 834925652 /nfs/dbraw/zinc/92/56/52/834925652.db2.gz RBIQTLCVSFDOJF-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000054131689 834936061 /nfs/dbraw/zinc/93/60/61/834936061.db2.gz CTLHBMKMNFQZPM-UHFFFAOYSA-N 1 1 283.303 1.804 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000929830411 835367075 /nfs/dbraw/zinc/36/70/75/835367075.db2.gz FHNCAFHCJQTEOK-GHMZBOCLSA-N 1 1 254.286 1.444 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000929830411 835367084 /nfs/dbraw/zinc/36/70/84/835367084.db2.gz FHNCAFHCJQTEOK-GHMZBOCLSA-N 1 1 254.286 1.444 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000930353317 835400699 /nfs/dbraw/zinc/40/06/99/835400699.db2.gz HUIBXUHEGKJULW-GFCCVEGCSA-N 1 1 252.314 1.840 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1COC1 ZINC001173227660 912319370 /nfs/dbraw/zinc/31/93/70/912319370.db2.gz RYWYZIOWJVQIMB-JTQLQIEISA-N 1 1 250.298 1.856 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC001231259096 925684234 /nfs/dbraw/zinc/68/42/34/925684234.db2.gz FVZHJPOPZVSJBT-JTQLQIEISA-N 1 1 281.312 1.865 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC001231259096 925684239 /nfs/dbraw/zinc/68/42/39/925684239.db2.gz FVZHJPOPZVSJBT-JTQLQIEISA-N 1 1 281.312 1.865 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168956961 927578235 /nfs/dbraw/zinc/57/82/35/927578235.db2.gz DABPGXIIGVMCRL-HBNTYKKESA-N 1 1 272.345 1.609 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2noc(C(F)(F)F)n2)C1 ZINC001168968846 927591388 /nfs/dbraw/zinc/59/13/88/927591388.db2.gz AQLMCDPNOGSORO-BQBZGAKWSA-N 1 1 294.233 1.623 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)C1 ZINC001169010722 927617128 /nfs/dbraw/zinc/61/71/28/927617128.db2.gz FUEGNQWNWCFWSV-ZOBORPQBSA-N 1 1 268.357 1.933 20 5 CDBDMO CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033021 927642661 /nfs/dbraw/zinc/64/26/61/927642661.db2.gz BCNUPRDGEYWLDI-JHJVBQTASA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)CO3)C1 ZINC001169035174 927644922 /nfs/dbraw/zinc/64/49/22/927644922.db2.gz BBXPRNZFASLMBL-UWVGGRQHSA-N 1 1 276.283 1.542 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)C1 ZINC001169039002 927649455 /nfs/dbraw/zinc/64/94/55/927649455.db2.gz MICJXDADPLHUSI-GRYCIOLGSA-N 1 1 290.310 1.932 20 5 CDBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169042130 927657280 /nfs/dbraw/zinc/65/72/80/927657280.db2.gz CZFWEROHJHMMQO-SRVKXCTJSA-N 1 1 270.329 1.317 20 5 CDBDMO O=C1CC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044810 927657309 /nfs/dbraw/zinc/65/73/09/927657309.db2.gz IYQWWZJJRLTGOV-DYEKYZERSA-N 1 1 282.340 1.603 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001169026555 927666503 /nfs/dbraw/zinc/66/65/03/927666503.db2.gz MKKTZAVJVAWZNK-AGIUHOORSA-N 1 1 253.346 1.212 20 5 CDBDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026519 927667375 /nfs/dbraw/zinc/66/73/75/927667375.db2.gz LYJSBNKOXXHGII-IHRRRGAJSA-N 1 1 297.399 1.813 20 5 CDBDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056330 927672221 /nfs/dbraw/zinc/67/22/21/927672221.db2.gz RVJXZZXNDGCNCA-KVSVUVNWSA-N 1 1 282.340 1.458 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CC1 ZINC001169055395 927672404 /nfs/dbraw/zinc/67/24/04/927672404.db2.gz PWOOVRCVUXPBDB-YUTCNCBUSA-N 1 1 295.383 1.422 20 5 CDBDMO COC[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886300726 930853661 /nfs/dbraw/zinc/85/36/61/930853661.db2.gz OMVNNHWIOHZKFX-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886300726 930853668 /nfs/dbraw/zinc/85/36/68/930853668.db2.gz OMVNNHWIOHZKFX-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271125 931771431 /nfs/dbraw/zinc/77/14/31/931771431.db2.gz YUSAUOYWROZYSF-MWLCHTKSSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001323271125 931771433 /nfs/dbraw/zinc/77/14/33/931771433.db2.gz YUSAUOYWROZYSF-MWLCHTKSSA-N 1 1 270.358 1.965 20 5 CDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894914 937686512 /nfs/dbraw/zinc/68/65/12/937686512.db2.gz ZQCIQKVMNRRQCG-BDAKNGLRSA-N 1 1 295.343 1.093 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C ZINC001120971491 937850829 /nfs/dbraw/zinc/85/08/29/937850829.db2.gz AIGYAKVWTFQPQB-VIFPVBQESA-N 1 1 253.306 1.225 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C ZINC001120972067 937851067 /nfs/dbraw/zinc/85/10/67/937851067.db2.gz LNZAKXYGICVLNO-NSHDSACASA-N 1 1 264.329 1.616 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001159743336 938748897 /nfs/dbraw/zinc/74/88/97/938748897.db2.gz CRMLJCJRKUNOAI-JTQLQIEISA-N 1 1 274.708 1.421 20 5 CDBDMO COc1cc(NC2C[NH+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001162220873 938963790 /nfs/dbraw/zinc/96/37/90/938963790.db2.gz CVJBRLMFIJBART-UHFFFAOYSA-N 1 1 280.328 1.893 20 5 CDBDMO [NH3+][C@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])CCC1(F)F ZINC001164316986 939453013 /nfs/dbraw/zinc/45/30/13/939453013.db2.gz LNXLJIWDVVJOCC-LURJTMIESA-N 1 1 293.661 1.211 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001165385375 939555081 /nfs/dbraw/zinc/55/50/81/939555081.db2.gz RQEBGDBZWQEZFV-UHFFFAOYSA-N 1 1 273.296 1.823 20 5 CDBDMO C[N@@H+]1CCO[C@H](COCc2ccccc2[N+](=O)[O-])C1 ZINC001222759328 941632384 /nfs/dbraw/zinc/63/23/84/941632384.db2.gz FFHODFRZWTUCSE-LBPRGKRZSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@H](COCc2ccccc2[N+](=O)[O-])C1 ZINC001222759328 941632388 /nfs/dbraw/zinc/63/23/88/941632388.db2.gz FFHODFRZWTUCSE-LBPRGKRZSA-N 1 1 266.297 1.442 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666467 941897301 /nfs/dbraw/zinc/89/73/01/941897301.db2.gz JIFAVKDABYECSC-SECBINFHSA-N 1 1 267.285 1.559 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001227065713 942125288 /nfs/dbraw/zinc/12/52/88/942125288.db2.gz XYUCMSXDLSQXHV-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227334579 942167035 /nfs/dbraw/zinc/16/70/35/942167035.db2.gz LMXBBZPCARVVRR-MRVPVSSYSA-N 1 1 286.719 1.820 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001228686180 942357191 /nfs/dbraw/zinc/35/71/91/942357191.db2.gz MFBZATSNGJJMHU-JTQLQIEISA-N 1 1 281.312 1.865 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230229886 942591617 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CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(C3CC3)CC1)C2 ZINC001254601029 947550284 /nfs/dbraw/zinc/55/02/84/947550284.db2.gz XJYAFHODSLWBIQ-INIZCTEOSA-N 1 1 287.363 1.842 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](F)C[C@H]1CO)C2 ZINC001254600664 947551169 /nfs/dbraw/zinc/55/11/69/947551169.db2.gz UROIUXMKVKHGIQ-YUTCNCBUSA-N 1 1 280.299 1.467 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](F)C[C@H]1CO)C2 ZINC001254600664 947551177 /nfs/dbraw/zinc/55/11/77/947551177.db2.gz UROIUXMKVKHGIQ-YUTCNCBUSA-N 1 1 280.299 1.467 20 5 CDBDMO CC(C)(CCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC001324412071 953379729 /nfs/dbraw/zinc/37/97/29/953379729.db2.gz QFFLFCOZVQNZME-GFCCVEGCSA-N 1 1 283.372 1.519 20 5 CDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272769 956076297 /nfs/dbraw/zinc/07/62/97/956076297.db2.gz DTGHULHSUXBTKX-NEPJUHHUSA-N 1 1 278.312 1.232 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC001303802357 956119788 /nfs/dbraw/zinc/11/97/88/956119788.db2.gz VGHZPNAYCFBZFF-XVKPBYJWSA-N 1 1 296.302 1.139 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC001303802356 956119813 /nfs/dbraw/zinc/11/98/13/956119813.db2.gz VGHZPNAYCFBZFF-XCBNKYQSSA-N 1 1 296.302 1.139 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)C(C)C ZINC001335424662 959793893 /nfs/dbraw/zinc/79/38/93/959793893.db2.gz WNSURGSQOJQPCI-UHFFFAOYSA-N 1 1 268.317 1.751 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001515457907 969895333 /nfs/dbraw/zinc/89/53/33/969895333.db2.gz GSTUBXOGZJDLPQ-SECBINFHSA-N 1 1 265.317 1.326 20 5 CDBDMO CCNC(=O)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601105117 342466607 /nfs/dbraw/zinc/46/66/07/342466607.db2.gz AFGVULSRZZQKSU-UHFFFAOYSA-N 1 1 288.307 1.715 20 5 CDBDMO COC[C@H](CCO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601120924 342471296 /nfs/dbraw/zinc/47/12/96/342471296.db2.gz LQSMPHQVKRAYHB-JTQLQIEISA-N 1 1 291.307 1.374 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693297 342583404 /nfs/dbraw/zinc/58/34/04/342583404.db2.gz QUSKTRYFHJSZSA-ZYHUDNBSSA-N 1 1 264.329 1.766 20 5 CDBDMO Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602497 342924273 /nfs/dbraw/zinc/92/42/73/342924273.db2.gz QSXLDDZRHLMWMC-UWVGGRQHSA-N 1 1 292.343 1.226 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000609383628 342265547 /nfs/dbraw/zinc/26/55/47/342265547.db2.gz XPOYMBDPRHELSM-SNVBAGLBSA-N 1 1 295.364 1.870 20 5 CDBDMO CNC(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000056493296 349714176 /nfs/dbraw/zinc/71/41/76/349714176.db2.gz AHFUTXLNLRAGJF-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO Cc1cc(NCc2c[nH+]c(N(C)C)n2C)ncc1[N+](=O)[O-] ZINC000074751261 342303767 /nfs/dbraw/zinc/30/37/67/342303767.db2.gz WRMIYIUAMGZDOI-UHFFFAOYSA-N 1 1 290.327 1.710 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000595291137 343024743 /nfs/dbraw/zinc/02/47/43/343024743.db2.gz GPHKUERXLXSBMZ-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000595291137 343024745 /nfs/dbraw/zinc/02/47/45/343024745.db2.gz GPHKUERXLXSBMZ-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000595457835 343068655 /nfs/dbraw/zinc/06/86/55/343068655.db2.gz FENKSLYISNHTRW-VXNVDRBHSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000595457835 343068658 /nfs/dbraw/zinc/06/86/58/343068658.db2.gz FENKSLYISNHTRW-VXNVDRBHSA-N 1 1 255.274 1.094 20 5 CDBDMO C[N@H+](CCC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485471 343074990 /nfs/dbraw/zinc/07/49/90/343074990.db2.gz ZVQVPWPZZBPYRV-UHFFFAOYSA-N 1 1 255.249 1.041 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485471 343074991 /nfs/dbraw/zinc/07/49/91/343074991.db2.gz ZVQVPWPZZBPYRV-UHFFFAOYSA-N 1 1 255.249 1.041 20 5 CDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000077995650 342332888 /nfs/dbraw/zinc/33/28/88/342332888.db2.gz KRNWSGNSVNWBMH-NSHDSACASA-N 1 1 280.328 1.370 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265294327 362098893 /nfs/dbraw/zinc/09/88/93/362098893.db2.gz KZQSHVHJXMXTAI-JTQLQIEISA-N 1 1 280.328 1.337 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080601126 342357392 /nfs/dbraw/zinc/35/73/92/342357392.db2.gz XGTGAYVYWDPVLF-NEPJUHHUSA-N 1 1 294.355 1.819 20 5 CDBDMO O=c1[nH]ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000596107410 343229106 /nfs/dbraw/zinc/22/91/06/343229106.db2.gz IBVHTGOEIHIEPX-SECBINFHSA-N 1 1 289.295 1.803 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000596246256 343286064 /nfs/dbraw/zinc/28/60/64/343286064.db2.gz DFRLAOKNHFTSGM-CYBMUJFWSA-N 1 1 292.339 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596248766 343273828 /nfs/dbraw/zinc/27/38/28/343273828.db2.gz YDPLMACYSDWIGO-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596335212 343298028 /nfs/dbraw/zinc/29/80/28/343298028.db2.gz HESCDBBVWVLGQS-JTQLQIEISA-N 1 1 281.360 1.921 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)CO ZINC000072665691 349808206 /nfs/dbraw/zinc/80/82/06/349808206.db2.gz GPRJCLKBPXQJML-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603283 343584844 /nfs/dbraw/zinc/58/48/44/343584844.db2.gz BBFIDUWSGDAYAP-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000598343827 343771704 /nfs/dbraw/zinc/77/17/04/343771704.db2.gz ZQGONWCYOAOFCB-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646666 343856616 /nfs/dbraw/zinc/85/66/16/343856616.db2.gz WINVFKOECNRMSJ-QWHCGFSZSA-N 1 1 294.351 1.924 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175641 343965550 /nfs/dbraw/zinc/96/55/50/343965550.db2.gz FZBNZXBWNWAEPA-SECBINFHSA-N 1 1 286.719 1.122 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000602778177 344594121 /nfs/dbraw/zinc/59/41/21/344594121.db2.gz CPUYDRGINIJOHW-AOOOYVTPSA-N 1 1 284.385 1.926 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602780722 344596450 /nfs/dbraw/zinc/59/64/50/344596450.db2.gz DGPFSVVDPOOKSE-CMPLNLGQSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602780722 344596453 /nfs/dbraw/zinc/59/64/53/344596453.db2.gz DGPFSVVDPOOKSE-CMPLNLGQSA-N 1 1 282.344 1.599 20 5 CDBDMO CN1CC[N@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000265576337 362453335 /nfs/dbraw/zinc/45/33/35/362453335.db2.gz VRSQBUIXQIKNSI-SNVBAGLBSA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000265576337 362453342 /nfs/dbraw/zinc/45/33/42/362453342.db2.gz VRSQBUIXQIKNSI-SNVBAGLBSA-N 1 1 299.762 1.301 20 5 CDBDMO CCC[C@@]1(CO)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827250 344612918 /nfs/dbraw/zinc/61/29/18/344612918.db2.gz BXXARIXOTUQKSG-CQSZACIVSA-N 1 1 296.371 1.584 20 5 CDBDMO CC[C@]1(O)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000602983875 344675051 /nfs/dbraw/zinc/67/50/51/344675051.db2.gz WAACRKCUPFBGTQ-LBPRGKRZSA-N 1 1 269.301 1.628 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000602983875 344675052 /nfs/dbraw/zinc/67/50/52/344675052.db2.gz WAACRKCUPFBGTQ-LBPRGKRZSA-N 1 1 269.301 1.628 20 5 CDBDMO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000603430542 344802837 /nfs/dbraw/zinc/80/28/37/344802837.db2.gz ADZZMXGRHPYLIQ-OLZOCXBDSA-N 1 1 279.340 1.689 20 5 CDBDMO CC[C@@]1(C)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240984 362558240 /nfs/dbraw/zinc/55/82/40/362558240.db2.gz RMIFFORLEAJDCN-STQMWFEESA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000052192715 345235113 /nfs/dbraw/zinc/23/51/13/345235113.db2.gz XPACOGRWPNBWQN-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000052193378 345235244 /nfs/dbraw/zinc/23/52/44/345235244.db2.gz ARICPMRHOYOVAE-UHFFFAOYSA-N 1 1 288.307 1.838 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000311404064 345506808 /nfs/dbraw/zinc/50/68/08/345506808.db2.gz AQGNICILPIFWGV-NSHDSACASA-N 1 1 268.313 1.595 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670897 345988759 /nfs/dbraw/zinc/98/87/59/345988759.db2.gz RBHUMZAQKGGCDY-LLVKDONJSA-N 1 1 264.329 1.768 20 5 CDBDMO COCC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054361602 347820868 /nfs/dbraw/zinc/82/08/68/347820868.db2.gz ITUNQHLIPYDUDH-UHFFFAOYSA-N 1 1 254.286 1.682 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295147858 199372517 /nfs/dbraw/zinc/37/25/17/199372517.db2.gz CJCBFTYPXKAGFJ-ZDUSSCGKSA-N 1 1 281.287 1.368 20 5 CDBDMO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614920848 348274162 /nfs/dbraw/zinc/27/41/62/348274162.db2.gz UGJLPSWUJIGUSD-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000064537064 348943621 /nfs/dbraw/zinc/94/36/21/348943621.db2.gz MOAUCHSXTREYKQ-JTQLQIEISA-N 1 1 279.296 1.498 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000063114779 350472635 /nfs/dbraw/zinc/47/26/35/350472635.db2.gz AQNVYPMYEGFVLX-MRVPVSSYSA-N 1 1 265.269 1.154 20 5 CDBDMO Cc1nn(C)c(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000108079100 186202907 /nfs/dbraw/zinc/20/29/07/186202907.db2.gz FQZUBQWRHNVWLX-SNVBAGLBSA-N 1 1 281.360 1.781 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124003615 187118275 /nfs/dbraw/zinc/11/82/75/187118275.db2.gz INKGTNHCWYWOKX-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000124003615 187118276 /nfs/dbraw/zinc/11/82/76/187118276.db2.gz INKGTNHCWYWOKX-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023436 356654331 /nfs/dbraw/zinc/65/43/31/356654331.db2.gz NUTHAYVFUGCZOZ-GXFFZTMASA-N 1 1 250.298 1.940 20 5 CDBDMO Cc1ccc(OC[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000290529745 357213270 /nfs/dbraw/zinc/21/32/70/357213270.db2.gz DBQXEOFICQCYDV-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000186790222 357690791 /nfs/dbraw/zinc/69/07/91/357690791.db2.gz PZITWBWQCUMSOL-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000408072581 357810608 /nfs/dbraw/zinc/81/06/08/357810608.db2.gz NTIPZPNXAFAKNW-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000408072581 357810612 /nfs/dbraw/zinc/81/06/12/357810612.db2.gz NTIPZPNXAFAKNW-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000220304767 358140944 /nfs/dbraw/zinc/14/09/44/358140944.db2.gz ZMPABTGSPHCONA-SNVBAGLBSA-N 1 1 294.355 1.836 20 5 CDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C2CCC2)CC1 ZINC000408149505 358178485 /nfs/dbraw/zinc/17/84/85/358178485.db2.gz IUJULVNKBOUPIS-UHFFFAOYSA-N 1 1 278.312 1.233 20 5 CDBDMO C[C@@H](CO)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCC1 ZINC000361485394 358228688 /nfs/dbraw/zinc/22/86/88/358228688.db2.gz NHUHWMOYVLTDHP-NSHDSACASA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193637690 358311347 /nfs/dbraw/zinc/31/13/47/358311347.db2.gz RJGIJKDITGCFCK-BETUJISGSA-N 1 1 261.325 1.588 20 5 CDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847984 359085400 /nfs/dbraw/zinc/08/54/00/359085400.db2.gz JJAMOIOZLIEJPY-CHWSQXEVSA-N 1 1 294.355 1.681 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112926354 359365131 /nfs/dbraw/zinc/36/51/31/359365131.db2.gz UPNVOQWNRCZHPH-UHFFFAOYSA-N 1 1 269.276 1.415 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)C2CCC2)c1 ZINC000221156147 359464905 /nfs/dbraw/zinc/46/49/05/359464905.db2.gz QBRNWEMKODEIQB-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000049826034 359499230 /nfs/dbraw/zinc/49/92/30/359499230.db2.gz UMADLWAIOGCYOA-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cnc[nH]1 ZINC000088759166 366612336 /nfs/dbraw/zinc/61/23/36/366612336.db2.gz SANAWSHGHNROOL-UHFFFAOYSA-N 1 1 276.252 1.013 20 5 CDBDMO C[C@H]([N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177249621 189038789 /nfs/dbraw/zinc/03/87/89/189038789.db2.gz FSCZQMWAPDRPET-JTQLQIEISA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CCC2)C1 ZINC000572338653 360372396 /nfs/dbraw/zinc/37/23/96/360372396.db2.gz NKFHGUZSWZECFW-NSHDSACASA-N 1 1 293.371 1.639 20 5 CDBDMO Cc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297205773 360626088 /nfs/dbraw/zinc/62/60/88/360626088.db2.gz RRYUXWIGJWKVOD-ONGXEEELSA-N 1 1 277.328 1.366 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367166113 361183482 /nfs/dbraw/zinc/18/34/82/361183482.db2.gz REDMCFQPILHNGP-JTQLQIEISA-N 1 1 287.323 1.904 20 5 CDBDMO Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000294860408 361492901 /nfs/dbraw/zinc/49/29/01/361492901.db2.gz CZRSWTJRLCMYHY-ZYHUDNBSSA-N 1 1 277.328 1.224 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000580463913 363919334 /nfs/dbraw/zinc/91/93/34/363919334.db2.gz CVKYPZAUEVCRSG-AOOOYVTPSA-N 1 1 280.328 1.478 20 5 CDBDMO C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000581019992 363962425 /nfs/dbraw/zinc/96/24/25/363962425.db2.gz QANJYPBTOYCKNV-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000581019992 363962437 /nfs/dbraw/zinc/96/24/37/363962437.db2.gz QANJYPBTOYCKNV-UHFFFAOYSA-N 1 1 293.367 2.000 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C[N@H+]1C1CC1 ZINC000268038921 364080538 /nfs/dbraw/zinc/08/05/38/364080538.db2.gz XLRAUOMKXQLNCF-DTWKUNHWSA-N 1 1 278.312 1.278 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919410 364274838 /nfs/dbraw/zinc/27/48/38/364274838.db2.gz VUMZAYISLGPGEH-IUCAKERBSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000340919410 364274845 /nfs/dbraw/zinc/27/48/45/364274845.db2.gz VUMZAYISLGPGEH-IUCAKERBSA-N 1 1 254.261 1.689 20 5 CDBDMO Cc1c(C(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271935962 365016008 /nfs/dbraw/zinc/01/60/08/365016008.db2.gz WBORJRVPALARGF-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCCO1 ZINC000090519078 367568387 /nfs/dbraw/zinc/56/83/87/367568387.db2.gz HNWZTNZAYVBGCO-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000546810746 367950720 /nfs/dbraw/zinc/95/07/20/367950720.db2.gz LDYXAMSGFYWIJO-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@H](CN)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293264 244035675 /nfs/dbraw/zinc/03/56/75/244035675.db2.gz QQIFQVDYMMQYOI-SNVBAGLBSA-N 1 1 280.328 1.202 20 5 CDBDMO C[C@H](CN)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420293264 244035680 /nfs/dbraw/zinc/03/56/80/244035680.db2.gz QQIFQVDYMMQYOI-SNVBAGLBSA-N 1 1 280.328 1.202 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000330815015 203268626 /nfs/dbraw/zinc/26/86/26/203268626.db2.gz QKCJRHWVBBFMQJ-CYBMUJFWSA-N 1 1 266.297 1.178 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000367833841 370966025 /nfs/dbraw/zinc/96/60/25/370966025.db2.gz SSZJUHBXIYOJKV-CYBMUJFWSA-N 1 1 294.355 1.540 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000269635528 373238815 /nfs/dbraw/zinc/23/88/15/373238815.db2.gz HGUFBRHZDGWUIY-FZMZJTMJSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000298640949 373763677 /nfs/dbraw/zinc/76/36/77/373763677.db2.gz QLDNFIBPVSAESG-ZWNOBZJWSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](O)C1 ZINC000298640949 373763682 /nfs/dbraw/zinc/76/36/82/373763682.db2.gz QLDNFIBPVSAESG-ZWNOBZJWSA-N 1 1 293.323 1.379 20 5 CDBDMO C[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269701475 373848800 /nfs/dbraw/zinc/84/88/00/373848800.db2.gz MENMHJLMHMXFGK-CQSZACIVSA-N 1 1 279.340 1.266 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000123181129 373987960 /nfs/dbraw/zinc/98/79/60/373987960.db2.gz FPSWUWGZTQZCQT-LBPRGKRZSA-N 1 1 291.351 1.975 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000299043800 374323883 /nfs/dbraw/zinc/32/38/83/374323883.db2.gz SAAZLUXQBFDMPU-WDEREUQCSA-N 1 1 294.355 1.773 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000370082828 374377245 /nfs/dbraw/zinc/37/72/45/374377245.db2.gz OMWQQPMDHGKUQT-HUUCEWRRSA-N 1 1 292.335 1.475 20 5 CDBDMO NC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338209 374377377 /nfs/dbraw/zinc/37/73/77/374377377.db2.gz VTXOSEUXWOOCDY-NEPJUHHUSA-N 1 1 293.371 1.746 20 5 CDBDMO CC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000296168939 374413130 /nfs/dbraw/zinc/41/31/30/374413130.db2.gz ZFVYEPRXLPSQID-VIFPVBQESA-N 1 1 270.358 1.972 20 5 CDBDMO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154772039 374749717 /nfs/dbraw/zinc/74/97/17/374749717.db2.gz QCBJMLALCMLGGL-BXKDBHETSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154772039 374749718 /nfs/dbraw/zinc/74/97/18/374749718.db2.gz QCBJMLALCMLGGL-BXKDBHETSA-N 1 1 283.303 1.865 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016712 374880085 /nfs/dbraw/zinc/88/00/85/374880085.db2.gz VGDNSOHMCMZGGF-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016712 374880090 /nfs/dbraw/zinc/88/00/90/374880090.db2.gz VGDNSOHMCMZGGF-QWRGUYRKSA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000280120402 374982756 /nfs/dbraw/zinc/98/27/56/374982756.db2.gz BOYJWCPQADMOON-NSHDSACASA-N 1 1 269.326 1.354 20 5 CDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332681877 375042000 /nfs/dbraw/zinc/04/20/00/375042000.db2.gz SYWBFPBYTKJSRA-CQSZACIVSA-N 1 1 296.371 1.701 20 5 CDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000131346830 375241428 /nfs/dbraw/zinc/24/14/28/375241428.db2.gz KHDNOEAERMAZNI-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000131346830 375241432 /nfs/dbraw/zinc/24/14/32/375241432.db2.gz KHDNOEAERMAZNI-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO CC[N@H+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353439947 375609267 /nfs/dbraw/zinc/60/92/67/375609267.db2.gz XUBSFIYBKSXTKV-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO CC[N@@H+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353439947 375609277 /nfs/dbraw/zinc/60/92/77/375609277.db2.gz XUBSFIYBKSXTKV-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358302204 375960643 /nfs/dbraw/zinc/96/06/43/375960643.db2.gz JKVKMEITVRSMGQ-LBPRGKRZSA-N 1 1 269.276 1.212 20 5 CDBDMO CCOCC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444642263 250157440 /nfs/dbraw/zinc/15/74/40/250157440.db2.gz STZAGFOPTOHBGE-OAHLLOKOSA-N 1 1 294.351 1.740 20 5 CDBDMO Cc1c[nH]nc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000289465687 197361234 /nfs/dbraw/zinc/36/12/34/197361234.db2.gz INEUSCFHWJWHGD-UHFFFAOYSA-N 1 1 260.297 1.959 20 5 CDBDMO CN(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509889 250377314 /nfs/dbraw/zinc/37/73/14/250377314.db2.gz GTWXIDMZOAMMGU-STQMWFEESA-N 1 1 295.387 1.816 20 5 CDBDMO C[C@H](C(N)=O)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243600 379412230 /nfs/dbraw/zinc/41/22/30/379412230.db2.gz VUGDBBMZICFYQO-SNVBAGLBSA-N 1 1 293.323 1.312 20 5 CDBDMO CC1(C)OCC(CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000279330332 194387693 /nfs/dbraw/zinc/38/76/93/194387693.db2.gz TYARRJBTCMIMIV-UHFFFAOYSA-N 1 1 296.323 1.198 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219268 251178140 /nfs/dbraw/zinc/17/81/40/251178140.db2.gz VXPYXTNNUMHVHG-SNVBAGLBSA-N 1 1 292.339 1.590 20 5 CDBDMO Nc1c(F)c(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000489894153 253016132 /nfs/dbraw/zinc/01/61/32/253016132.db2.gz XXEFIYWJLKUBFH-QMMMGPOBSA-N 1 1 291.286 1.940 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491577627 253092123 /nfs/dbraw/zinc/09/21/23/253092123.db2.gz YLOYPKRJPCWRBI-ZHRWSRJISA-N 1 1 289.335 1.771 20 5 CDBDMO COCCOCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289062597 197225217 /nfs/dbraw/zinc/22/52/17/197225217.db2.gz RHAFVTJJFOUQPL-AWEZNQCLSA-N 1 1 298.339 1.223 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000225647874 285166516 /nfs/dbraw/zinc/16/65/16/285166516.db2.gz YKLWAQQOVMHUTL-UHFFFAOYSA-N 1 1 274.284 1.040 20 5 CDBDMO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000281789856 195382161 /nfs/dbraw/zinc/38/21/61/195382161.db2.gz FKDGASDAYMGBHE-MRVPVSSYSA-N 1 1 272.330 1.184 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000281789856 195382164 /nfs/dbraw/zinc/38/21/64/195382164.db2.gz FKDGASDAYMGBHE-MRVPVSSYSA-N 1 1 272.330 1.184 20 5 CDBDMO C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000550116060 390459629 /nfs/dbraw/zinc/45/96/29/390459629.db2.gz MQCIYUJEJAMHJP-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451424966 390618653 /nfs/dbraw/zinc/61/86/53/390618653.db2.gz SYYAZAAFDRUDRI-JHJVBQTASA-N 1 1 294.355 1.417 20 5 CDBDMO [NH3+]Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000517235053 390968618 /nfs/dbraw/zinc/96/86/18/390968618.db2.gz CGVCXGGZNMHKBN-UHFFFAOYSA-N 1 1 289.295 1.704 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408067743 391232991 /nfs/dbraw/zinc/23/29/91/391232991.db2.gz NXXYQKOQBCFNTJ-IUCAKERBSA-N 1 1 295.368 1.833 20 5 CDBDMO CCN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190197335 130072054 /nfs/dbraw/zinc/07/20/54/130072054.db2.gz IEQSABPMJQOODO-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CCN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190197335 130072055 /nfs/dbraw/zinc/07/20/55/130072055.db2.gz IEQSABPMJQOODO-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266739867 392093085 /nfs/dbraw/zinc/09/30/85/392093085.db2.gz NEOMOACVAQBRAI-JTQLQIEISA-N 1 1 265.313 1.724 20 5 CDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775396 392919343 /nfs/dbraw/zinc/91/93/43/392919343.db2.gz JZWUXJMVSNDRER-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000522242377 392876353 /nfs/dbraw/zinc/87/63/53/392876353.db2.gz FFJBQZPWKASDKM-NSHDSACASA-N 1 1 263.297 1.163 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420989670 392924550 /nfs/dbraw/zinc/92/45/50/392924550.db2.gz SEXGAXFAKNVWMG-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000421706868 392942102 /nfs/dbraw/zinc/94/21/02/392942102.db2.gz WAGVNPJFZFAXOS-VIFPVBQESA-N 1 1 267.285 1.354 20 5 CDBDMO CC(C)(N)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282970 392960744 /nfs/dbraw/zinc/96/07/44/392960744.db2.gz DQCARVNFSBOIIR-QWRGUYRKSA-N 1 1 281.360 1.602 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425932051 393033507 /nfs/dbraw/zinc/03/35/07/393033507.db2.gz OJJHOXAMXOEAMW-CQSZACIVSA-N 1 1 264.325 1.984 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1O ZINC000430197951 393090384 /nfs/dbraw/zinc/09/03/84/393090384.db2.gz XEPYNUHOLTUSLR-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)C[C@H]1C ZINC000430242185 393095622 /nfs/dbraw/zinc/09/56/22/393095622.db2.gz RGJCPJZWIDBXFS-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO COc1cc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000487970375 393367785 /nfs/dbraw/zinc/36/77/85/393367785.db2.gz KANWBOZDPVTGFF-KBPBESRZSA-N 1 1 296.323 1.449 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665579 140311184 /nfs/dbraw/zinc/31/11/84/140311184.db2.gz LFYIAAIWSLTZDK-BXUZGUMPSA-N 1 1 264.325 1.840 20 5 CDBDMO CNC(=O)CC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255515158 140336464 /nfs/dbraw/zinc/33/64/64/140336464.db2.gz QBPODRSFFSLTSB-ALCCZGGFSA-N 1 1 277.324 1.676 20 5 CDBDMO CO[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000488564780 398127786 /nfs/dbraw/zinc/12/77/86/398127786.db2.gz VVOORYZPTHVIFJ-JFOCPDPESA-N 1 1 292.335 1.954 20 5 CDBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000134589457 147655190 /nfs/dbraw/zinc/65/51/90/147655190.db2.gz IBNCVNPWQNLDPX-VIFPVBQESA-N 1 1 283.353 1.757 20 5 CDBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174810810 147963085 /nfs/dbraw/zinc/96/30/85/147963085.db2.gz XMXBTHMNWKITFB-CQSZACIVSA-N 1 1 289.339 1.967 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000345997504 153020255 /nfs/dbraw/zinc/02/02/55/153020255.db2.gz VEODDGJTXOAQPY-MNOVXSKESA-N 1 1 294.355 1.488 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000357415011 157744804 /nfs/dbraw/zinc/74/48/04/157744804.db2.gz NIBCPGSBRBLTKW-IUCAKERBSA-N 1 1 266.301 1.135 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861810 159255279 /nfs/dbraw/zinc/25/52/79/159255279.db2.gz GDPPLFZMJVMQOR-WCQYABFASA-N 1 1 291.351 1.451 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285111475 196199402 /nfs/dbraw/zinc/19/94/02/196199402.db2.gz HXPNWBZDDNZKFU-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082220 270339775 /nfs/dbraw/zinc/33/97/75/270339775.db2.gz AWJQXDUIOCEKIA-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082220 270339778 /nfs/dbraw/zinc/33/97/78/270339778.db2.gz AWJQXDUIOCEKIA-MNOVXSKESA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)nc1 ZINC000273596018 275040848 /nfs/dbraw/zinc/04/08/48/275040848.db2.gz ILKUVFIQDNJCRR-UHFFFAOYSA-N 1 1 291.355 1.840 20 5 CDBDMO CN1CCO[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205523 277123920 /nfs/dbraw/zinc/12/39/20/277123920.db2.gz FENVESMHACHVEV-ZIAGYGMSSA-N 1 1 277.324 1.110 20 5 CDBDMO CN1CCO[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332205523 277123922 /nfs/dbraw/zinc/12/39/22/277123922.db2.gz FENVESMHACHVEV-ZIAGYGMSSA-N 1 1 277.324 1.110 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000236884106 280144214 /nfs/dbraw/zinc/14/42/14/280144214.db2.gz LSFHYOWUWCYNAH-SECBINFHSA-N 1 1 295.343 1.081 20 5 CDBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343657 280329057 /nfs/dbraw/zinc/32/90/57/280329057.db2.gz GGBFAOMMHQROCV-CMPLNLGQSA-N 1 1 294.311 1.438 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000522146964 281090055 /nfs/dbraw/zinc/09/00/55/281090055.db2.gz IAGOVCOTBWZWPI-NSHDSACASA-N 1 1 292.339 1.075 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289791 289364006 /nfs/dbraw/zinc/36/40/06/289364006.db2.gz ONPGWHUSIUJENJ-ACVFHECNSA-N 1 1 289.335 1.805 20 5 CDBDMO Cc1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000574530688 295015341 /nfs/dbraw/zinc/01/53/41/295015341.db2.gz DFFDJXZKYIJTOA-GFCCVEGCSA-N 1 1 287.323 1.841 20 5 CDBDMO Cc1nnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000574530688 295015345 /nfs/dbraw/zinc/01/53/45/295015345.db2.gz DFFDJXZKYIJTOA-GFCCVEGCSA-N 1 1 287.323 1.841 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563352559 316263587 /nfs/dbraw/zinc/26/35/87/316263587.db2.gz JFVCGJMDASAHHH-BXUZGUMPSA-N 1 1 281.356 1.558 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490176 324202724 /nfs/dbraw/zinc/20/27/24/324202724.db2.gz PMZHJRLVKZHUGO-SMDDNHRTSA-N 1 1 281.356 1.558 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])ncc1NC1C[NH+](C(C)C)C1 ZINC001168316954 1160709290 /nfs/dbraw/zinc/70/92/90/1160709290.db2.gz BGQKUMFURPCELP-UHFFFAOYSA-N 1 1 294.311 1.281 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699696 521657838 /nfs/dbraw/zinc/65/78/38/521657838.db2.gz BBNKADZFAACLGJ-NSHDSACASA-N 1 1 292.339 1.391 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184190325 527355857 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CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763834 614085832 /nfs/dbraw/zinc/08/58/32/614085832.db2.gz LPYSTJFPTBDLOL-CHWSQXEVSA-N 1 1 295.383 1.232 20 5 CDBDMO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763834 614085833 /nfs/dbraw/zinc/08/58/33/614085833.db2.gz LPYSTJFPTBDLOL-CHWSQXEVSA-N 1 1 295.383 1.232 20 5 CDBDMO CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763834 614085835 /nfs/dbraw/zinc/08/58/35/614085835.db2.gz LPYSTJFPTBDLOL-CHWSQXEVSA-N 1 1 295.383 1.232 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c([N+](=O)[O-])cnn1C ZINC000892555480 617500543 /nfs/dbraw/zinc/50/05/43/617500543.db2.gz UPJAICMSONSQNW-JTQLQIEISA-N 1 1 267.333 1.106 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000892625104 617543005 /nfs/dbraw/zinc/54/30/05/617543005.db2.gz ZYUAEZWVQONRBQ-UHFFFAOYSA-N 1 1 293.371 1.783 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2OC)C1 ZINC000892730384 617673521 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O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](O)(CF)CC2)C1 ZINC001169011281 927616169 /nfs/dbraw/zinc/61/61/69/927616169.db2.gz JDXHNNDRLNPRTD-JHJVBQTASA-N 1 1 274.336 1.618 20 5 CDBDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCO1 ZINC001169037757 927646741 /nfs/dbraw/zinc/64/67/41/927646741.db2.gz UCEHNNNKKZEMKY-VXGBXAGGSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3cncc3C2)C1 ZINC001169037479 927647644 /nfs/dbraw/zinc/64/76/44/927647644.db2.gz RYJJQJCPHQFXMA-GHMZBOCLSA-N 1 1 250.302 1.144 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H](N3CCCC3)C2)C1 ZINC001169039735 927650848 /nfs/dbraw/zinc/65/08/48/927650848.db2.gz SUTRDHLPEDMSMH-IHRRRGAJSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC001169039735 927650856 /nfs/dbraw/zinc/65/08/56/927650856.db2.gz SUTRDHLPEDMSMH-IHRRRGAJSA-N 1 1 267.373 1.602 20 5 CDBDMO C[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]2O1 ZINC001169017567 927656617 /nfs/dbraw/zinc/65/66/17/927656617.db2.gz APZQGAYIWKUPQW-QSLWVIQJSA-N 1 1 268.357 1.931 20 5 CDBDMO CNCC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042864 927657774 /nfs/dbraw/zinc/65/77/74/927657774.db2.gz GOZVYYCVZHRIHM-NWDGAFQWSA-N 1 1 257.378 1.752 20 5 CDBDMO C[NH2+]CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042864 927657779 /nfs/dbraw/zinc/65/77/79/927657779.db2.gz GOZVYYCVZHRIHM-NWDGAFQWSA-N 1 1 257.378 1.752 20 5 CDBDMO O=C1NCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023504 927664088 /nfs/dbraw/zinc/66/40/88/927664088.db2.gz VBSVFVVGQJCIND-BZPMIXESSA-N 1 1 281.356 1.034 20 5 CDBDMO COC(=O)C[C@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053880 927673141 /nfs/dbraw/zinc/67/31/41/927673141.db2.gz JXVKEKUJXAPIDC-QJPTWQEYSA-N 1 1 270.329 1.317 20 5 CDBDMO CC[N@H+]1CCN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC001117262313 937505045 /nfs/dbraw/zinc/50/50/45/937505045.db2.gz SYCAHXZYAXCQRS-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001120931659 937848111 /nfs/dbraw/zinc/84/81/11/937848111.db2.gz JPURQRUYJFFOSR-SECBINFHSA-N 1 1 265.317 1.102 20 5 CDBDMO Cc1nc(NCc2ccc(N)[nH+]c2C)ncc1[N+](=O)[O-] ZINC001156980563 938443105 /nfs/dbraw/zinc/44/31/05/938443105.db2.gz IRVHYUIOZUJQTK-UHFFFAOYSA-N 1 1 274.284 1.591 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001157002262 938445095 /nfs/dbraw/zinc/44/50/95/938445095.db2.gz WBJJFFMDLLYAOB-LBPRGKRZSA-N 1 1 280.328 1.147 20 5 CDBDMO COc1cc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001157266647 938472754 /nfs/dbraw/zinc/47/27/54/938472754.db2.gz VRSGURSMRGHPQM-JQWIXIFHSA-N 1 1 292.339 1.529 20 5 CDBDMO CCN(c1ccc([N+](=O)[O-])c(C)n1)C1C[NH+](C)C1 ZINC001157453887 938494707 /nfs/dbraw/zinc/49/47/07/938494707.db2.gz MTGYWHMOTAMTLG-UHFFFAOYSA-N 1 1 250.302 1.439 20 5 CDBDMO CC1(C)CC(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001157766898 938543020 /nfs/dbraw/zinc/54/30/20/938543020.db2.gz BKFZZCPDNBOOSM-VXGBXAGGSA-N 1 1 283.372 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4CC[C@H]4C3)c2c1 ZINC001158423229 938621628 /nfs/dbraw/zinc/62/16/28/938621628.db2.gz JFRXHIHXNONGSB-NSHDSACASA-N 1 1 285.307 1.432 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001159743362 938748469 /nfs/dbraw/zinc/74/84/69/938748469.db2.gz DJKIATWOWKJHMM-JTQLQIEISA-N 1 1 274.708 1.421 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001159786463 938753108 /nfs/dbraw/zinc/75/31/08/938753108.db2.gz BBYSMGOIHHPEAC-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001160696447 938815891 /nfs/dbraw/zinc/81/58/91/938815891.db2.gz LIEDUSNSPWJDOB-UHFFFAOYSA-N 1 1 275.268 1.321 20 5 CDBDMO CC[NH+](CC)CCNC(=N)Nc1ncc(C)cc1[N+](=O)[O-] ZINC001163122186 939204362 /nfs/dbraw/zinc/20/43/62/939204362.db2.gz DSFUSCMDWUPFEW-UHFFFAOYSA-N 1 1 294.359 1.576 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001163928352 939356247 /nfs/dbraw/zinc/35/62/47/939356247.db2.gz HYFSIQNZEQTCMI-UHFFFAOYSA-N 1 1 265.248 1.746 20 5 CDBDMO [NH3+][C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)CCC1(F)F ZINC001164319722 939454422 /nfs/dbraw/zinc/45/44/22/939454422.db2.gz NMPCQAIOIRNXNJ-SSDOTTSWSA-N 1 1 292.673 1.816 20 5 CDBDMO CCc1nnc([C@H]([NH3+])Cc2cccc([N+](=O)[O-])c2)o1 ZINC001217715523 941009080 /nfs/dbraw/zinc/00/90/80/941009080.db2.gz VFGYJXKCEQLOHE-SNVBAGLBSA-N 1 1 262.269 1.783 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1O[C@H]1C[NH2+]CC1(F)F ZINC001218231911 941047390 /nfs/dbraw/zinc/04/73/90/941047390.db2.gz NRBVQIKSPIUQMR-JTQLQIEISA-N 1 1 258.224 1.889 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1ncc([N+](=O)[O-])c1N ZINC001330061078 941554142 /nfs/dbraw/zinc/55/41/42/941554142.db2.gz WQVUWUOYOCPJCH-JTQLQIEISA-N 1 1 267.333 1.636 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001225912622 941928540 /nfs/dbraw/zinc/92/85/40/941928540.db2.gz LSWUTRVKJFGHBZ-MCCGJVOXSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(F)c3)[C@H]1CC(=O)C2 ZINC001225912622 941928544 /nfs/dbraw/zinc/92/85/44/941928544.db2.gz LSWUTRVKJFGHBZ-MCCGJVOXSA-N 1 1 294.282 1.917 20 5 CDBDMO COc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)C[N+](C)(C)C ZINC001229138133 942424506 /nfs/dbraw/zinc/42/45/06/942424506.db2.gz TZDXPAFCFMXLIN-SNVBAGLBSA-O 1 1 292.359 1.818 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)n1 ZINC001231260754 942836718 /nfs/dbraw/zinc/83/67/18/942836718.db2.gz WMHFEDZROWBZHF-QMMMGPOBSA-N 1 1 255.274 1.333 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001254551808 947520809 /nfs/dbraw/zinc/52/08/09/947520809.db2.gz GANABDGCEVRGNV-MISXGVKJSA-N 1 1 264.325 1.838 20 5 CDBDMO C[C@]1(O)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592460 947543814 /nfs/dbraw/zinc/54/38/14/947543814.db2.gz DNEOECIJNHLVAX-KBPBESRZSA-N 1 1 262.309 1.519 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001254595438 947546022 /nfs/dbraw/zinc/54/60/22/947546022.db2.gz XJCOLOAAUQBBOW-RBSFLKMASA-N 1 1 274.320 1.925 20 5 CDBDMO C[C@@]1(O)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601389 947549310 /nfs/dbraw/zinc/54/93/10/947549310.db2.gz ZATHQKFFPKSXCW-LSDHHAIUSA-N 1 1 276.336 1.909 20 5 CDBDMO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246480254 948198802 /nfs/dbraw/zinc/19/88/02/948198802.db2.gz YABQCIZLWRJFKE-CFVMTHIKSA-N 1 1 275.352 1.922 20 5 CDBDMO [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246480254 948198807 /nfs/dbraw/zinc/19/88/07/948198807.db2.gz YABQCIZLWRJFKE-CFVMTHIKSA-N 1 1 275.352 1.922 20 5 CDBDMO C[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247594892 948674542 /nfs/dbraw/zinc/67/45/42/948674542.db2.gz QVHWWBRCXALPHQ-BYPYZUCNSA-N 1 1 253.193 1.199 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC001328610118 955372801 /nfs/dbraw/zinc/37/28/01/955372801.db2.gz OWTPTJGCGVWDMC-UHFFFAOYSA-N 1 1 262.313 1.394 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001331760444 957247699 /nfs/dbraw/zinc/24/76/99/957247699.db2.gz VXSGTHMUCUBDKK-QWHCGFSZSA-N 1 1 294.355 1.601 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1-c1nnc(C[NH+](C)C)o1 ZINC001346663568 965199261 /nfs/dbraw/zinc/19/92/61/965199261.db2.gz WORDMPXQTJPIFH-UHFFFAOYSA-N 1 1 278.268 1.715 20 5 CDBDMO COC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC001352886447 967534723 /nfs/dbraw/zinc/53/47/23/967534723.db2.gz DLQPNKPFEYPXBH-UHFFFAOYSA-N 1 1 298.343 1.231 20 5 CDBDMO COC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC001352886447 967534729 /nfs/dbraw/zinc/53/47/29/967534729.db2.gz DLQPNKPFEYPXBH-UHFFFAOYSA-N 1 1 298.343 1.231 20 5 CDBDMO CO[C@@H](C)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158807982 1163590428 /nfs/dbraw/zinc/59/04/28/1163590428.db2.gz FGTFRLOURPXBEG-PORFMDCZSA-N 1 1 280.328 1.969 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000601189264 342488283 /nfs/dbraw/zinc/48/82/83/342488283.db2.gz PIFDKKNERMJLLF-VIFPVBQESA-N 1 1 270.358 1.972 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601232541 342537713 /nfs/dbraw/zinc/53/77/13/342537713.db2.gz RULLKUIKGYNDBO-ZJUUUORDSA-N 1 1 295.314 1.946 20 5 CDBDMO CC(C)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000616999853 342600515 /nfs/dbraw/zinc/60/05/15/342600515.db2.gz CDLOSLFDKBKCRE-LBPRGKRZSA-N 1 1 264.329 1.766 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000593107812 342768965 /nfs/dbraw/zinc/76/89/65/342768965.db2.gz OKMGMESUJNBIRV-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)CCO ZINC000593107812 342768966 /nfs/dbraw/zinc/76/89/66/342768966.db2.gz OKMGMESUJNBIRV-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO O=[N+]([O-])c1ccc(-n2cc(C[NH+]3CCCCC3)nn2)nc1 ZINC000594650151 342932161 /nfs/dbraw/zinc/93/21/61/342932161.db2.gz SNQCKGXQLRAOGQ-UHFFFAOYSA-N 1 1 288.311 1.556 20 5 CDBDMO CCn1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000616786373 342271087 /nfs/dbraw/zinc/27/10/87/342271087.db2.gz WSXWZRCNBCIWIP-UHFFFAOYSA-N 1 1 277.328 1.745 20 5 CDBDMO COCCOC[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595325231 343036319 /nfs/dbraw/zinc/03/63/19/343036319.db2.gz JACRJNOMJYXLOI-LLVKDONJSA-N 1 1 299.327 1.376 20 5 CDBDMO COCCOC[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595325231 343036321 /nfs/dbraw/zinc/03/63/21/343036321.db2.gz JACRJNOMJYXLOI-LLVKDONJSA-N 1 1 299.327 1.376 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399862 343048706 /nfs/dbraw/zinc/04/87/06/343048706.db2.gz GFUFZFHERLSRLY-KWQFWETISA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399862 343048707 /nfs/dbraw/zinc/04/87/07/343048707.db2.gz GFUFZFHERLSRLY-KWQFWETISA-N 1 1 254.261 1.689 20 5 CDBDMO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595436293 343060191 /nfs/dbraw/zinc/06/01/91/343060191.db2.gz MJWDIMHGIVXCKX-DTWKUNHWSA-N 1 1 282.300 1.025 20 5 CDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595507748 343080088 /nfs/dbraw/zinc/08/00/88/343080088.db2.gz QCNHGQJFORKOHK-CQSZACIVSA-N 1 1 293.371 1.209 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595564123 343099408 /nfs/dbraw/zinc/09/94/08/343099408.db2.gz PLEMBEKMVZURQL-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000077995746 342333028 /nfs/dbraw/zinc/33/30/28/342333028.db2.gz XSOYAZCGLUSKKQ-LLVKDONJSA-N 1 1 294.355 1.678 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595671369 343127988 /nfs/dbraw/zinc/12/79/88/343127988.db2.gz FBFFFOORTGOOEY-GXSJLCMTSA-N 1 1 283.328 1.874 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000274613141 365735338 /nfs/dbraw/zinc/73/53/38/365735338.db2.gz XIMCZVZFUMBCMF-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO CC[N@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000596232612 343262110 /nfs/dbraw/zinc/26/21/10/343262110.db2.gz YLTRIDHHOVTQLY-VIFPVBQESA-N 1 1 265.317 1.102 20 5 CDBDMO CCc1nn(C)c(N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000092829808 342419434 /nfs/dbraw/zinc/41/94/34/342419434.db2.gz JYRHZSGMWHNQIT-UHFFFAOYSA-N 1 1 281.360 1.423 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000588977631 342446649 /nfs/dbraw/zinc/44/66/49/342446649.db2.gz QZVFEIAJTHNUDD-VIFPVBQESA-N 1 1 281.287 1.431 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000142891906 342434447 /nfs/dbraw/zinc/43/44/47/342434447.db2.gz LHEQQTNFLVXQAE-GFCCVEGCSA-N 1 1 262.313 1.664 20 5 CDBDMO Cc1nn(C)c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292802961 282272068 /nfs/dbraw/zinc/27/20/68/282272068.db2.gz NLSNBZABGYKGMR-DTORHVGOSA-N 1 1 267.333 1.166 20 5 CDBDMO Cc1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000597250904 343499220 /nfs/dbraw/zinc/49/92/20/343499220.db2.gz DJWXXSCVKMCXFA-UHFFFAOYSA-N 1 1 294.351 1.877 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1C ZINC000599175954 343966253 /nfs/dbraw/zinc/96/62/53/343966253.db2.gz KXIYEQOWEVFQPA-LLVKDONJSA-N 1 1 295.339 1.390 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602781579 344596663 /nfs/dbraw/zinc/59/66/63/344596663.db2.gz DGPFSVVDPOOKSE-ZYHUDNBSSA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000602781579 344596664 /nfs/dbraw/zinc/59/66/64/344596664.db2.gz DGPFSVVDPOOKSE-ZYHUDNBSSA-N 1 1 282.344 1.599 20 5 CDBDMO CCC(O)(CC)C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602918865 344650008 /nfs/dbraw/zinc/65/00/08/344650008.db2.gz UAUILGFPFGWBPT-UHFFFAOYSA-N 1 1 284.360 1.583 20 5 CDBDMO COCC[N@@H+](C)C[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000314151946 344910135 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CCc1[nH]nc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000277931776 374823478 /nfs/dbraw/zinc/82/34/78/374823478.db2.gz JMULNEKRWYDRGR-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332566 374931212 /nfs/dbraw/zinc/93/12/12/374931212.db2.gz SIFMWIWYBBVZLG-RYUDHWBXSA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+](C)C1CC1 ZINC000331535027 374969684 /nfs/dbraw/zinc/96/96/84/374969684.db2.gz WTYYLIUVFHECHZ-SECBINFHSA-N 1 1 280.328 1.146 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+](C)C1CC1 ZINC000331535030 374970667 /nfs/dbraw/zinc/97/06/67/374970667.db2.gz WTYYLIUVFHECHZ-VIFPVBQESA-N 1 1 280.328 1.146 20 5 CDBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279750954 374955670 /nfs/dbraw/zinc/95/56/70/374955670.db2.gz LJDZFMBYHIHPPO-ZDUSSCGKSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000280104148 374982647 /nfs/dbraw/zinc/98/26/47/374982647.db2.gz AQIUEQVEYUXMKE-CYBMUJFWSA-N 1 1 297.742 1.946 20 5 CDBDMO C[N@@H+](CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000282293692 375076987 /nfs/dbraw/zinc/07/69/87/375076987.db2.gz FTCJGSJXDLAHFT-UHFFFAOYSA-N 1 1 268.313 1.078 20 5 CDBDMO C[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000282556452 375092446 /nfs/dbraw/zinc/09/24/46/375092446.db2.gz SGPGDOMAIJUTFO-UHFFFAOYSA-N 1 1 272.276 1.175 20 5 CDBDMO C[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000282556452 375092454 /nfs/dbraw/zinc/09/24/54/375092454.db2.gz SGPGDOMAIJUTFO-UHFFFAOYSA-N 1 1 272.276 1.175 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1C ZINC000299476685 375173812 /nfs/dbraw/zinc/17/38/12/375173812.db2.gz BRTXLJNNNGRENX-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO CN1CCC(CCO)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351504400 375302792 /nfs/dbraw/zinc/30/27/92/375302792.db2.gz WBLJYRCBBKVMEL-UHFFFAOYSA-N 1 1 293.367 1.531 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000162737693 375502587 /nfs/dbraw/zinc/50/25/87/375502587.db2.gz FANVQKSICOJYMY-VXGBXAGGSA-N 1 1 292.339 1.573 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000426459513 247027368 /nfs/dbraw/zinc/02/73/68/247027368.db2.gz KXUIIPFCDLOKGM-QWRGUYRKSA-N 1 1 250.302 1.666 20 5 CDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)n1 ZINC000427378453 247134179 /nfs/dbraw/zinc/13/41/79/247134179.db2.gz CKBGWQCQEOEUEF-ZJUUUORDSA-N 1 1 295.343 1.024 20 5 CDBDMO CCCCC[N@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355333257 375791174 /nfs/dbraw/zinc/79/11/74/375791174.db2.gz JHDKBZQCMFSJJJ-UHFFFAOYSA-N 1 1 270.333 1.313 20 5 CDBDMO CCCCC[N@@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355333257 375791183 /nfs/dbraw/zinc/79/11/83/375791183.db2.gz JHDKBZQCMFSJJJ-UHFFFAOYSA-N 1 1 270.333 1.313 20 5 CDBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346376 375792130 /nfs/dbraw/zinc/79/21/30/375792130.db2.gz UBQLFRFPYIGQOS-JQWIXIFHSA-N 1 1 282.344 1.454 20 5 CDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346376 375792135 /nfs/dbraw/zinc/79/21/35/375792135.db2.gz UBQLFRFPYIGQOS-JQWIXIFHSA-N 1 1 282.344 1.454 20 5 CDBDMO CC(C)N1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358255301 375958080 /nfs/dbraw/zinc/95/80/80/375958080.db2.gz BYUAETLNBNXZEG-UHFFFAOYSA-N 1 1 295.387 1.596 20 5 CDBDMO CC(C)N1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358255301 375958086 /nfs/dbraw/zinc/95/80/86/375958086.db2.gz BYUAETLNBNXZEG-UHFFFAOYSA-N 1 1 295.387 1.596 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000267068078 376743309 /nfs/dbraw/zinc/74/33/09/376743309.db2.gz KAVZVLVBQZWIOL-GHMZBOCLSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]3CCC[C@H]32)n1 ZINC000267068078 376743318 /nfs/dbraw/zinc/74/33/18/376743318.db2.gz KAVZVLVBQZWIOL-GHMZBOCLSA-N 1 1 266.301 1.045 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCOC1)CCO2 ZINC000352679839 285142700 /nfs/dbraw/zinc/14/27/00/285142700.db2.gz RWOKZWPKPSDZTL-LLVKDONJSA-N 1 1 278.308 1.826 20 5 CDBDMO O=C1NCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336810684 390199952 /nfs/dbraw/zinc/19/99/52/390199952.db2.gz IXWMJYITDRHMHL-LLVKDONJSA-N 1 1 267.260 1.102 20 5 CDBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CC2)C1 ZINC000451080769 390595816 /nfs/dbraw/zinc/59/58/16/390595816.db2.gz CFCJXZGGKCRPJO-NSHDSACASA-N 1 1 293.371 1.244 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000515463303 390947682 /nfs/dbraw/zinc/94/76/82/390947682.db2.gz ZJDPUOSDXPOJLT-UHFFFAOYSA-N 1 1 294.355 1.538 20 5 CDBDMO CC(=O)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000287525863 390914081 /nfs/dbraw/zinc/91/40/81/390914081.db2.gz AYQYZMALFFKRFJ-TXEJJXNPSA-N 1 1 289.335 1.795 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404821 391046506 /nfs/dbraw/zinc/04/65/06/391046506.db2.gz XAIUYSPUMBHSSP-GWCFXTLKSA-N 1 1 250.298 1.798 20 5 CDBDMO Cc1cnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292763860 391636126 /nfs/dbraw/zinc/63/61/26/391636126.db2.gz KMYPVIKTEKOBOG-PHIMTYICSA-N 1 1 264.329 1.827 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000192598385 391711563 /nfs/dbraw/zinc/71/15/63/391711563.db2.gz GJEHNYRUMNTCJJ-LBPRGKRZSA-N 1 1 295.387 1.898 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000441384844 391794246 /nfs/dbraw/zinc/79/42/46/391794246.db2.gz QXKASIYAIHWGKL-QPUJVOFHSA-N 1 1 297.742 1.862 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C)CC1 ZINC000243959962 131083084 /nfs/dbraw/zinc/08/30/84/131083084.db2.gz SAHWRDWLDSORMI-UHFFFAOYSA-N 1 1 294.311 1.383 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183215 392542345 /nfs/dbraw/zinc/54/23/45/392542345.db2.gz CSHNFYIZEMIYSW-VIFPVBQESA-N 1 1 293.327 1.065 20 5 CDBDMO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000423051030 392957186 /nfs/dbraw/zinc/95/71/86/392957186.db2.gz ZMSYEINZAVSDMK-VIFPVBQESA-N 1 1 283.759 1.988 20 5 CDBDMO CCN[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389663 392961854 /nfs/dbraw/zinc/96/18/54/392961854.db2.gz VKQMCUSCLMANOD-UPJWGTAASA-N 1 1 295.387 1.863 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176226263 148029194 /nfs/dbraw/zinc/02/91/94/148029194.db2.gz JCXZQEJCFIGJOP-GFCCVEGCSA-N 1 1 296.371 1.807 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(F)c1 ZINC000313583801 149244294 /nfs/dbraw/zinc/24/42/94/149244294.db2.gz YCSKJDJJTWLGJF-MRCXROJRSA-N 1 1 280.299 1.937 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348923504 154007747 /nfs/dbraw/zinc/00/77/47/154007747.db2.gz WVZMVTSJQAJULU-LBPRGKRZSA-N 1 1 294.355 1.719 20 5 CDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccon1 ZINC000349250202 154075892 /nfs/dbraw/zinc/07/58/92/154075892.db2.gz YKHDTFXHQPJXJP-QMMMGPOBSA-N 1 1 251.246 1.130 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185974 155006187 /nfs/dbraw/zinc/00/61/87/155006187.db2.gz HVRHDIIYMUVTLG-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352203366 155020035 /nfs/dbraw/zinc/02/00/35/155020035.db2.gz REYIKICUORPUAA-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020514868 171231956 /nfs/dbraw/zinc/23/19/56/171231956.db2.gz JFTLKPHNWDWXNN-UHFFFAOYSA-N 1 1 278.312 1.764 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035136210 172003789 /nfs/dbraw/zinc/00/37/89/172003789.db2.gz MQCHDJFWXFYRRW-VIFPVBQESA-N 1 1 251.286 1.209 20 5 CDBDMO C[N@@H+](CCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285195798 196218420 /nfs/dbraw/zinc/21/84/20/196218420.db2.gz CQTHNAUYKJWAGU-UHFFFAOYSA-N 1 1 252.314 1.842 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353224175 274055108 /nfs/dbraw/zinc/05/51/08/274055108.db2.gz BNRASQPMKLJIJJ-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000353224175 274055110 /nfs/dbraw/zinc/05/51/10/274055110.db2.gz BNRASQPMKLJIJJ-NSHDSACASA-N 1 1 295.339 1.808 20 5 CDBDMO CC(C)[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(N)=O ZINC000459485908 275718507 /nfs/dbraw/zinc/71/85/07/275718507.db2.gz RKLIDHDHYZPXMQ-ZDUSSCGKSA-N 1 1 283.303 1.724 20 5 CDBDMO CCOCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000277480405 276327613 /nfs/dbraw/zinc/32/76/13/276327613.db2.gz KRCCUJLSSWTBCJ-CYBMUJFWSA-N 1 1 282.340 1.814 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576126 277178364 /nfs/dbraw/zinc/17/83/64/277178364.db2.gz RZNYANPUSVHZQW-JOYOIKCWSA-N 1 1 294.330 1.847 20 5 CDBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000419373643 278079915 /nfs/dbraw/zinc/07/99/15/278079915.db2.gz OOBLXJJNJIYRLX-KXUCPTDWSA-N 1 1 252.318 1.805 20 5 CDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000286501283 279999619 /nfs/dbraw/zinc/99/96/19/279999619.db2.gz YFNTVFFKSWRBLS-WFASDCNBSA-N 1 1 291.351 1.894 20 5 CDBDMO CC[C@]1(C)COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340877489 281331664 /nfs/dbraw/zinc/33/16/64/281331664.db2.gz KOTSJIVBTAOFGT-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[C@]1(C)COCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340877489 281331667 /nfs/dbraw/zinc/33/16/67/281331667.db2.gz KOTSJIVBTAOFGT-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000532866774 282055832 /nfs/dbraw/zinc/05/58/32/282055832.db2.gz XACSEBIJDZAUPF-UHFFFAOYSA-N 1 1 286.295 1.457 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895321 316140545 /nfs/dbraw/zinc/14/05/45/316140545.db2.gz XJYATKOIRQEXBX-NSHDSACASA-N 1 1 288.307 1.988 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632998 323344168 /nfs/dbraw/zinc/34/41/68/323344168.db2.gz KEGFJFMHSWGDNQ-JTQLQIEISA-N 1 1 293.327 1.453 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068338410 522053481 /nfs/dbraw/zinc/05/34/81/522053481.db2.gz WDEXWQFXPKMWKF-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO COCCC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074766436 523229349 /nfs/dbraw/zinc/22/93/49/523229349.db2.gz ARTDTLWLGHFMDG-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212872 525861011 /nfs/dbraw/zinc/86/10/11/525861011.db2.gz SXGURKCDJVPVLM-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000773197403 575790155 /nfs/dbraw/zinc/79/01/55/575790155.db2.gz JVJJWFQKJSWLSO-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000754783806 576915250 /nfs/dbraw/zinc/91/52/50/576915250.db2.gz OTDVQPUEXYBCMS-LBPRGKRZSA-N 1 1 280.328 1.497 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000754783806 576915252 /nfs/dbraw/zinc/91/52/52/576915252.db2.gz OTDVQPUEXYBCMS-LBPRGKRZSA-N 1 1 280.328 1.497 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890883881 617345200 /nfs/dbraw/zinc/34/52/00/617345200.db2.gz RLQFQWPQFDCNON-UHFFFAOYSA-N 1 1 297.359 1.286 20 5 CDBDMO CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138150 614557031 /nfs/dbraw/zinc/55/70/31/614557031.db2.gz MXSRMHIKLPGLOW-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138150 614557033 /nfs/dbraw/zinc/55/70/33/614557033.db2.gz MXSRMHIKLPGLOW-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138150 614557035 /nfs/dbraw/zinc/55/70/35/614557035.db2.gz MXSRMHIKLPGLOW-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000892152446 617510109 /nfs/dbraw/zinc/51/01/09/617510109.db2.gz UPXFMNHCYYKYDV-UHFFFAOYSA-N 1 1 276.300 1.435 20 5 CDBDMO CC[N@@H+](CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(C)C ZINC000957713102 615017697 /nfs/dbraw/zinc/01/76/97/615017697.db2.gz MANAUZNZATXFBY-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CC[N@H+](CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C)C ZINC000957713102 615017698 /nfs/dbraw/zinc/01/76/98/615017698.db2.gz MANAUZNZATXFBY-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CC[N@@H+](CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(C)C ZINC000957713102 615017699 /nfs/dbraw/zinc/01/76/99/615017699.db2.gz MANAUZNZATXFBY-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891968279 617903018 /nfs/dbraw/zinc/90/30/18/617903018.db2.gz VOJBRPRNHDUJQW-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CCC2)C1 ZINC000893960811 618208806 /nfs/dbraw/zinc/20/88/06/618208806.db2.gz XNAHAWBZHNEDHI-NSHDSACASA-N 1 1 293.371 1.639 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244893 619485898 /nfs/dbraw/zinc/48/58/98/619485898.db2.gz ADZXVKHMCQGGAE-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244893 619485900 /nfs/dbraw/zinc/48/59/00/619485900.db2.gz ADZXVKHMCQGGAE-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895244893 619485904 /nfs/dbraw/zinc/48/59/04/619485904.db2.gz ADZXVKHMCQGGAE-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895244893 619485906 /nfs/dbraw/zinc/48/59/06/619485906.db2.gz ADZXVKHMCQGGAE-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895250049 619491161 /nfs/dbraw/zinc/49/11/61/619491161.db2.gz ZVCSEJRMWFXSEU-CABZTGNLSA-N 1 1 297.334 1.175 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CCN1C ZINC000895247320 619494485 /nfs/dbraw/zinc/49/44/85/619494485.db2.gz IMWGPVJESGJHCW-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@@H+]1C ZINC000895247320 619494486 /nfs/dbraw/zinc/49/44/86/619494486.db2.gz IMWGPVJESGJHCW-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CN(C)CC[N@H+]1C ZINC000895247320 619494487 /nfs/dbraw/zinc/49/44/87/619494487.db2.gz IMWGPVJESGJHCW-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO CN(C)c1cc[nH+]c(CNc2c([N+](=O)[O-])ncn2C)c1 ZINC000895469304 619681956 /nfs/dbraw/zinc/68/19/56/619681956.db2.gz OYZQRDZIGJUMRN-UHFFFAOYSA-N 1 1 276.300 1.401 20 5 CDBDMO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000895801923 619852033 /nfs/dbraw/zinc/85/20/33/619852033.db2.gz VURTWDMHQZEMNO-NSHDSACASA-N 1 1 280.328 1.513 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000896650832 620182141 /nfs/dbraw/zinc/18/21/41/620182141.db2.gz NFIPEXKJBOOSTK-NSHDSACASA-N 1 1 279.344 1.551 20 5 CDBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCC[N+](=O)[O-])C1 ZINC000905329068 626770833 /nfs/dbraw/zinc/77/08/33/626770833.db2.gz JTNTVFOZDVXXSX-UHFFFAOYSA-N 1 1 293.367 1.504 20 5 CDBDMO C[C@H]1CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971444 627061057 /nfs/dbraw/zinc/06/10/57/627061057.db2.gz BKIQQPBIZSJTCQ-JQWIXIFHSA-N 1 1 266.297 1.429 20 5 CDBDMO Cc1nn(C[NH+]2C3CCC2CC3)c(C)c1[N+](=O)[O-] ZINC000912786533 630203706 /nfs/dbraw/zinc/20/37/06/630203706.db2.gz LWRFABZUINVTMB-UHFFFAOYSA-N 1 1 250.302 1.992 20 5 CDBDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239345 631280650 /nfs/dbraw/zinc/28/06/50/631280650.db2.gz BCTHIIRKXGLWSD-ZWNOBZJWSA-N 1 1 292.339 1.659 20 5 CDBDMO Cc1nn(C[C@H]2CCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000917129623 632159758 /nfs/dbraw/zinc/15/97/58/632159758.db2.gz DHBQNXCUKFZBSP-SNVBAGLBSA-N 1 1 275.312 1.742 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000129145271 1158948866 /nfs/dbraw/zinc/94/88/66/1158948866.db2.gz NWXUFEFPZUTWED-OLZOCXBDSA-N 1 1 294.355 1.867 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000129145271 1158948863 /nfs/dbraw/zinc/94/88/63/1158948863.db2.gz NWXUFEFPZUTWED-OLZOCXBDSA-N 1 1 294.355 1.867 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001604319115 1163148538 /nfs/dbraw/zinc/14/85/38/1163148538.db2.gz AXZNWLDWLXBMHV-JTQLQIEISA-N 1 1 290.327 1.526 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233713249 1161085139 /nfs/dbraw/zinc/08/51/39/1161085139.db2.gz QAOPPCWXFBHSPJ-QMMMGPOBSA-N 1 1 257.677 1.726 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC001325225936 1164321340 /nfs/dbraw/zinc/32/13/40/1164321340.db2.gz IYJGVUNGTXHLRM-SNVBAGLBSA-N 1 1 280.303 1.803 20 5 CDBDMO Cc1c(CNCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC001579534662 1172207842 /nfs/dbraw/zinc/20/78/42/1172207842.db2.gz OHRCHPFYOIOWBD-UHFFFAOYSA-N 1 1 259.256 1.587 20 5 CDBDMO CCC(=O)NCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001753076822 1185043245 /nfs/dbraw/zinc/04/32/45/1185043245.db2.gz WMOXTWBICPJTPO-UHFFFAOYSA-N 1 1 279.340 1.943 20 5 CDBDMO CCC(=O)NCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001753076822 1185043239 /nfs/dbraw/zinc/04/32/39/1185043239.db2.gz WMOXTWBICPJTPO-UHFFFAOYSA-N 1 1 279.340 1.943 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@@H]21 ZINC001164669453 719371382 /nfs/dbraw/zinc/37/13/82/719371382.db2.gz QCJWQTNJIMEYQX-UWVGGRQHSA-N 1 1 298.730 1.162 20 5 CDBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000858320194 844209889 /nfs/dbraw/zinc/20/98/89/844209889.db2.gz QJYGPABWPFFUSV-ZETCQYMHSA-N 1 1 273.314 1.154 20 5 CDBDMO CC[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000822861774 844319558 /nfs/dbraw/zinc/31/95/58/844319558.db2.gz FXEYCJHDBHYASO-SECBINFHSA-N 1 1 292.295 1.987 20 5 CDBDMO Cc1nn(C[N@H+]2CC=CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000778575850 844400366 /nfs/dbraw/zinc/40/03/66/844400366.db2.gz CFBCEHWNZSUSSM-UHFFFAOYSA-N 1 1 273.296 1.867 20 5 CDBDMO Cc1nn(C[N@@H+]2CC=CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000778575850 844400373 /nfs/dbraw/zinc/40/03/73/844400373.db2.gz CFBCEHWNZSUSSM-UHFFFAOYSA-N 1 1 273.296 1.867 20 5 CDBDMO Cc1[nH+]ccn1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000311827582 844571027 /nfs/dbraw/zinc/57/10/27/844571027.db2.gz JLZLILINIPLRCJ-UHFFFAOYSA-N 1 1 261.285 1.915 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CCn3cc[nH+]c32)cc1 ZINC000931525420 843000535 /nfs/dbraw/zinc/00/05/35/843000535.db2.gz DFPUJSDKGMRGPC-UHFFFAOYSA-N 1 1 258.281 1.854 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000795754061 843022514 /nfs/dbraw/zinc/02/25/14/843022514.db2.gz YIOCLJUZJAUUGC-JTQLQIEISA-N 1 1 278.312 1.869 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840119342 843334943 /nfs/dbraw/zinc/33/49/43/843334943.db2.gz HGDNQVCFLLCWEM-UPJWGTAASA-N 1 1 280.328 1.374 20 5 CDBDMO COC(=O)[C@@H](C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930019411 843347151 /nfs/dbraw/zinc/34/71/51/843347151.db2.gz VNDCSUYZZWKNIN-JQWIXIFHSA-N 1 1 266.297 1.403 20 5 CDBDMO O=[N+]([O-])CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000929097594 843711233 /nfs/dbraw/zinc/71/12/33/843711233.db2.gz OZDHTAYVIXKUEQ-UHFFFAOYSA-N 1 1 255.343 1.142 20 5 CDBDMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578632 843782209 /nfs/dbraw/zinc/78/22/09/843782209.db2.gz HQQLVCDAPIFVMH-ZDUSSCGKSA-N 1 1 295.339 1.072 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001927 843791612 /nfs/dbraw/zinc/79/16/12/843791612.db2.gz NCYULNKPOIMFOQ-JQWIXIFHSA-N 1 1 265.313 1.725 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000882480334 843810461 /nfs/dbraw/zinc/81/04/61/843810461.db2.gz QVPMXMIGZULCNB-NSHDSACASA-N 1 1 277.324 1.727 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178952 843939464 /nfs/dbraw/zinc/93/94/64/843939464.db2.gz SFUGPNZVNVUNER-UHFFFAOYSA-N 1 1 292.295 1.689 20 5 CDBDMO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)C ZINC000839699073 843960596 /nfs/dbraw/zinc/96/05/96/843960596.db2.gz IAUSUPQSIVZVDS-YNEHKIRRSA-N 1 1 285.388 1.524 20 5 CDBDMO [NH3+]C1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000843170944 844646020 /nfs/dbraw/zinc/64/60/20/844646020.db2.gz NMJWGCNIDRMTJI-UHFFFAOYSA-N 1 1 260.253 1.516 20 5 CDBDMO O=[N+]([O-])c1ncccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000134497508 844891573 /nfs/dbraw/zinc/89/15/73/844891573.db2.gz IRLPPLVZJJZTDZ-MNOVXSKESA-N 1 1 278.312 1.265 20 5 CDBDMO COCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000790479687 844901635 /nfs/dbraw/zinc/90/16/35/844901635.db2.gz QMZKPNJHEXOFDC-NWDGAFQWSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000790479687 844901642 /nfs/dbraw/zinc/90/16/42/844901642.db2.gz QMZKPNJHEXOFDC-NWDGAFQWSA-N 1 1 282.344 1.886 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000791052737 844903671 /nfs/dbraw/zinc/90/36/71/844903671.db2.gz BHUQHPUTUVRMJT-LLVKDONJSA-N 1 1 266.297 1.425 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000791052737 844903679 /nfs/dbraw/zinc/90/36/79/844903679.db2.gz BHUQHPUTUVRMJT-LLVKDONJSA-N 1 1 266.297 1.425 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839551212 844949642 /nfs/dbraw/zinc/94/96/42/844949642.db2.gz KHCBLEYJWWSLGT-UPJWGTAASA-N 1 1 295.314 1.210 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886217593 845076031 /nfs/dbraw/zinc/07/60/31/845076031.db2.gz CXFXRSGZUOWDLR-HNNXBMFYSA-N 1 1 290.367 1.908 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000829593560 845117114 /nfs/dbraw/zinc/11/71/14/845117114.db2.gz QJDJQGZABNQFCZ-SNPRPXQTSA-N 1 1 292.335 1.739 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@H]21 ZINC000827009199 845269892 /nfs/dbraw/zinc/26/98/92/845269892.db2.gz NDWQTCRYLUVBNQ-QWHCGFSZSA-N 1 1 297.399 1.765 20 5 CDBDMO CC(C)[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000854142603 845303454 /nfs/dbraw/zinc/30/34/54/845303454.db2.gz UBJRSDKPZCUIOA-UHFFFAOYSA-N 1 1 277.284 1.462 20 5 CDBDMO CC[NH+](CC)C[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158638073 845417974 /nfs/dbraw/zinc/41/79/74/845417974.db2.gz FBDQIUUTUGPCBF-SWLSCSKDSA-N 1 1 295.383 1.948 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000090360439 845511220 /nfs/dbraw/zinc/51/12/20/845511220.db2.gz KWMGWKDPBZEBPZ-UHFFFAOYSA-N 1 1 295.295 1.707 20 5 CDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930052499 845581200 /nfs/dbraw/zinc/58/12/00/845581200.db2.gz MVFXXPJIACMWNZ-LLVKDONJSA-N 1 1 267.333 1.315 20 5 CDBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930052499 845581210 /nfs/dbraw/zinc/58/12/10/845581210.db2.gz MVFXXPJIACMWNZ-LLVKDONJSA-N 1 1 267.333 1.315 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccon2)c1 ZINC000819129070 845599754 /nfs/dbraw/zinc/59/97/54/845599754.db2.gz AAIRXDVJJCUXPE-LBPRGKRZSA-N 1 1 293.279 1.112 20 5 CDBDMO Cn1nncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848550291 845864200 /nfs/dbraw/zinc/86/42/00/845864200.db2.gz IILHRQHAEAQFIT-LBPRGKRZSA-N 1 1 273.296 1.500 20 5 CDBDMO O=C(CC[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000026159736 846106898 /nfs/dbraw/zinc/10/68/98/846106898.db2.gz FHVGOUTZMOGNHM-UHFFFAOYSA-N 1 1 279.296 1.256 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885931444 846451912 /nfs/dbraw/zinc/45/19/12/846451912.db2.gz VFNWFKCCHAZLNG-GFCCVEGCSA-N 1 1 293.323 1.765 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885931444 846451917 /nfs/dbraw/zinc/45/19/17/846451917.db2.gz VFNWFKCCHAZLNG-GFCCVEGCSA-N 1 1 293.323 1.765 20 5 CDBDMO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839797953 846695302 /nfs/dbraw/zinc/69/53/02/846695302.db2.gz RVBOKXCQHMCSTK-VXGBXAGGSA-N 1 1 297.380 1.304 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402387 846710139 /nfs/dbraw/zinc/71/01/39/846710139.db2.gz QMFDNVSIYDQKTN-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930508910 846713013 /nfs/dbraw/zinc/71/30/13/846713013.db2.gz FGGJNBWNKYOXCR-ZDUSSCGKSA-N 1 1 299.371 1.786 20 5 CDBDMO O=C(NC1CCCC1)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930508910 846713014 /nfs/dbraw/zinc/71/30/14/846713014.db2.gz FGGJNBWNKYOXCR-ZDUSSCGKSA-N 1 1 299.371 1.786 20 5 CDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000862795361 846713127 /nfs/dbraw/zinc/71/31/27/846713127.db2.gz KDCZZUBKXQOWIG-LBPRGKRZSA-N 1 1 285.388 1.670 20 5 CDBDMO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034816909 846877631 /nfs/dbraw/zinc/87/76/31/846877631.db2.gz VMRPUGCNNXADPH-ZIAGYGMSSA-N 1 1 291.351 1.466 20 5 CDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592164 846891298 /nfs/dbraw/zinc/89/12/98/846891298.db2.gz ZOURXEAJIIXAJJ-NJZAAPMLSA-N 1 1 294.351 1.721 20 5 CDBDMO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778545 846906931 /nfs/dbraw/zinc/90/69/31/846906931.db2.gz UMOZFMNCFXNRMR-RGDJUOJXSA-N 1 1 295.383 1.134 20 5 CDBDMO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025778545 846906936 /nfs/dbraw/zinc/90/69/36/846906936.db2.gz UMOZFMNCFXNRMR-RGDJUOJXSA-N 1 1 295.383 1.134 20 5 CDBDMO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025778545 846906941 /nfs/dbraw/zinc/90/69/41/846906941.db2.gz UMOZFMNCFXNRMR-RGDJUOJXSA-N 1 1 295.383 1.134 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928553280 847122156 /nfs/dbraw/zinc/12/21/56/847122156.db2.gz MLPIADVVDXCCTI-HZSPNIEDSA-N 1 1 289.335 1.519 20 5 CDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000826628670 847199515 /nfs/dbraw/zinc/19/95/15/847199515.db2.gz DHLDAWGERWPTME-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO CC1(C)CC[C@H](CO)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886295617 847218161 /nfs/dbraw/zinc/21/81/61/847218161.db2.gz DBSWDDALAPEXMX-GFCCVEGCSA-N 1 1 279.340 1.973 20 5 CDBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886295617 847218169 /nfs/dbraw/zinc/21/81/69/847218169.db2.gz DBSWDDALAPEXMX-GFCCVEGCSA-N 1 1 279.340 1.973 20 5 CDBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000107670732 847247009 /nfs/dbraw/zinc/24/70/09/847247009.db2.gz KGCOMPCTSXKJHM-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO C[N@H+](C[C@H]1CCCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000107670732 847246995 /nfs/dbraw/zinc/24/69/95/847246995.db2.gz KGCOMPCTSXKJHM-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000929993349 847284765 /nfs/dbraw/zinc/28/47/65/847284765.db2.gz BTLXJEXWDUVGHA-MNOVXSKESA-N 1 1 287.360 1.498 20 5 CDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000929993349 847284773 /nfs/dbraw/zinc/28/47/73/847284773.db2.gz BTLXJEXWDUVGHA-MNOVXSKESA-N 1 1 287.360 1.498 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256244 847300156 /nfs/dbraw/zinc/30/01/56/847300156.db2.gz ZJNLRZHIHIOUQT-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](CF)C2)c1 ZINC000880296749 847750885 /nfs/dbraw/zinc/75/08/85/847750885.db2.gz FYXKSMBIGBXXRW-MFKMUULPSA-N 1 1 268.288 1.920 20 5 CDBDMO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839619579 847751891 /nfs/dbraw/zinc/75/18/91/847751891.db2.gz YVTIYUWSTPTRSJ-ZIAGYGMSSA-N 1 1 291.351 1.372 20 5 CDBDMO Nc1ccc(-c2noc([C@H]([NH3+])CC(F)F)n2)cc1[N+](=O)[O-] ZINC000843169295 847879451 /nfs/dbraw/zinc/87/94/51/847879451.db2.gz AAKDZGWRAXWFIS-SSDOTTSWSA-N 1 1 299.237 1.882 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](O)C2)c1F ZINC001173186487 912281303 /nfs/dbraw/zinc/28/13/03/912281303.db2.gz SGKLEALWUDWXCY-VHSXEESVSA-N 1 1 298.314 1.740 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001173221029 912303983 /nfs/dbraw/zinc/30/39/83/912303983.db2.gz FJGRNXVWHYRZER-ZLDLUXBVSA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001173221036 912305340 /nfs/dbraw/zinc/30/53/40/912305340.db2.gz FLIPZLTVFRYQRU-DDTOSNHZSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001173221036 912305358 /nfs/dbraw/zinc/30/53/58/912305358.db2.gz FLIPZLTVFRYQRU-DDTOSNHZSA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC(F)C2)C1 ZINC001173226029 912318236 /nfs/dbraw/zinc/31/82/36/912318236.db2.gz KTEKHYPWECLCNA-NSHDSACASA-N 1 1 293.342 1.864 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229895 912322256 /nfs/dbraw/zinc/32/22/56/912322256.db2.gz BNYQIBIQZNHWQG-RISCZKNCSA-N 1 1 291.351 1.736 20 5 CDBDMO O=[N+]([O-])c1cc(OC2CC[NH+](CCF)CC2)ccn1 ZINC001233857020 913089685 /nfs/dbraw/zinc/08/96/85/913089685.db2.gz ICEDLWDSDSDHML-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)C1 ZINC001167268517 895002986 /nfs/dbraw/zinc/00/29/86/895002986.db2.gz NBHZNSYEWYIBEH-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]2C1 ZINC000832225395 936566364 /nfs/dbraw/zinc/56/63/64/936566364.db2.gz LZMMKTCEZBZCRW-NEPJUHHUSA-N 1 1 283.372 1.232 20 5 CDBDMO CN(C)CCC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979854 927562768 /nfs/dbraw/zinc/56/27/68/927562768.db2.gz BKSFQHYNARWKMH-NEPJUHHUSA-N 1 1 257.378 1.752 20 5 CDBDMO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974058 927595981 /nfs/dbraw/zinc/59/59/81/927595981.db2.gz QCERGIIHRQKTLF-QJPTWQEYSA-N 1 1 272.345 1.753 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168996055 927602323 /nfs/dbraw/zinc/60/23/23/927602323.db2.gz UODGZKFCSXRANT-HIFRSBDPSA-N 1 1 281.400 1.896 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014006 927619996 /nfs/dbraw/zinc/61/99/96/927619996.db2.gz XSMNURVRLUWRBK-FVCCEPFGSA-N 1 1 254.330 1.400 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC001169034202 927641543 /nfs/dbraw/zinc/64/15/43/927641543.db2.gz FXEPGWYDTKJOGP-UPJWGTAASA-N 1 1 279.344 1.360 20 5 CDBDMO CC(C)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036991 927647173 /nfs/dbraw/zinc/64/71/73/927647173.db2.gz HUOAMXGRFNODOW-AGIUHOORSA-N 1 1 256.346 1.789 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038651 927650040 /nfs/dbraw/zinc/65/00/40/927650040.db2.gz JVIIVSBMIQUAJI-XQQFMLRXSA-N 1 1 284.356 1.707 20 5 CDBDMO CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041637 927654276 /nfs/dbraw/zinc/65/42/76/927654276.db2.gz BSDNSWHOFIBNET-YNEHKIRRSA-N 1 1 256.346 1.789 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC(N3CCCCC3)C2)C1 ZINC001169040110 927654581 /nfs/dbraw/zinc/65/45/81/927654581.db2.gz XYVUITFSYXESTB-CHWSQXEVSA-N 1 1 267.373 1.602 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccccn3)C2)C1 ZINC001169042473 927655833 /nfs/dbraw/zinc/65/58/33/927655833.db2.gz DUWWLIUQYUNSBW-MJBXVCDLSA-N 1 1 291.351 1.980 20 5 CDBDMO COC(=O)C[C@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053883 927673459 /nfs/dbraw/zinc/67/34/59/927673459.db2.gz JXVKEKUJXAPIDC-TUAOUCFPSA-N 1 1 270.329 1.317 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057833 927675264 /nfs/dbraw/zinc/67/52/64/927675264.db2.gz XYCLAFQJPMHUCN-SRVKXCTJSA-N 1 1 282.340 1.317 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057964 927675957 /nfs/dbraw/zinc/67/59/57/927675957.db2.gz ZOMJOUBKCLKMCA-GMXVVIOVSA-N 1 1 270.329 1.317 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579230 927754639 /nfs/dbraw/zinc/75/46/39/927754639.db2.gz JNLZJNCEDQHLHR-CYBMUJFWSA-N 1 1 295.339 1.038 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579230 927754650 /nfs/dbraw/zinc/75/46/50/927754650.db2.gz JNLZJNCEDQHLHR-CYBMUJFWSA-N 1 1 295.339 1.038 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001156390096 928479602 /nfs/dbraw/zinc/47/96/02/928479602.db2.gz VKBBBBHYEUOULB-JTQLQIEISA-N 1 1 279.344 1.716 20 5 CDBDMO COc1cnc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266481 929414100 /nfs/dbraw/zinc/41/41/00/929414100.db2.gz SXJNPVLVEUSCOF-ZWNOBZJWSA-N 1 1 292.339 1.529 20 5 CDBDMO O=[N+]([O-])CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459730 933380853 /nfs/dbraw/zinc/38/08/53/933380853.db2.gz JCKHYWZAYMFGEI-MRXNPFEDSA-N 1 1 289.379 1.861 20 5 CDBDMO NC(=[NH2+])N(c1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1N ZINC001157229705 938467961 /nfs/dbraw/zinc/46/79/61/938467961.db2.gz NQHINRDADBSOGW-UHFFFAOYSA-N 1 1 290.258 1.743 20 5 CDBDMO C[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C2(CCCC2)C1 ZINC001158409843 938619228 /nfs/dbraw/zinc/61/92/28/938619228.db2.gz CHIKEEZZKRLYCR-UHFFFAOYSA-N 1 1 291.355 1.637 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2N)C(C)(C)C1 ZINC001158561413 938636801 /nfs/dbraw/zinc/63/68/01/938636801.db2.gz CTIXDXKQKCALFG-UHFFFAOYSA-N 1 1 279.344 1.493 20 5 CDBDMO COc1nc(N[C@H]2CC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161175068 938877315 /nfs/dbraw/zinc/87/73/15/938877315.db2.gz AMBUDOCDAZBGTE-VIFPVBQESA-N 1 1 293.327 1.432 20 5 CDBDMO Cc1ccnc(N2CCC(F)(F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319524 939454499 /nfs/dbraw/zinc/45/44/99/939454499.db2.gz IUTWRNHVWDUABB-MRVPVSSYSA-N 1 1 272.255 1.471 20 5 CDBDMO C[N@@H+]1CCO[C@@H](COCc2cccc([N+](=O)[O-])c2)C1 ZINC001222770712 941633382 /nfs/dbraw/zinc/63/33/82/941633382.db2.gz KASSIIIVWSRWHQ-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@@H](COCc2cccc([N+](=O)[O-])c2)C1 ZINC001222770712 941633383 /nfs/dbraw/zinc/63/33/83/941633383.db2.gz KASSIIIVWSRWHQ-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO COc1cccc(CO[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001223808535 941700155 /nfs/dbraw/zinc/70/01/55/941700155.db2.gz CAWMGZFYTYBDFV-NSHDSACASA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592886 941886070 /nfs/dbraw/zinc/88/60/70/941886070.db2.gz JJVSBFOPXWJHIV-JGPRNRPPSA-N 1 1 263.297 1.994 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cn1)C2 ZINC001226730364 942058897 /nfs/dbraw/zinc/05/88/97/942058897.db2.gz DQHZRPDJXFZFCI-JZYVYDRUSA-N 1 1 264.285 1.389 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227089855 942130172 /nfs/dbraw/zinc/13/01/72/942130172.db2.gz AYWLFEIBHYXYAO-SECBINFHSA-N 1 1 290.279 1.327 20 5 CDBDMO Cc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])n1 ZINC001227222296 942152038 /nfs/dbraw/zinc/15/20/38/942152038.db2.gz LAWHFYNYBXQDAC-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])n1 ZINC001227222296 942152045 /nfs/dbraw/zinc/15/20/45/942152045.db2.gz LAWHFYNYBXQDAC-NDMJEZRESA-N 1 1 291.307 1.481 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccnc([N+](=O)[O-])c2)C1 ZINC001233859282 943674119 /nfs/dbraw/zinc/67/41/19/943674119.db2.gz LFAUSJTYANXRRK-LLVKDONJSA-N 1 1 267.285 1.089 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])n1[nH]c(=O)nc1C[NH3+] ZINC001254541010 947517477 /nfs/dbraw/zinc/51/74/77/947517477.db2.gz YBRXMAOAOUGMDG-MRVPVSSYSA-N 1 1 277.284 1.154 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](O)C1 ZINC001254552406 947522803 /nfs/dbraw/zinc/52/28/03/947522803.db2.gz LHLWOYVOVHBEKV-YPMHNXCESA-N 1 1 280.324 1.219 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565850 947527124 /nfs/dbraw/zinc/52/71/24/947527124.db2.gz QLLUPYGZABLFQD-BXUZGUMPSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593341 947542430 /nfs/dbraw/zinc/54/24/30/947542430.db2.gz LADIXGRLDYISBX-QMTHXVAHSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@@H]1COCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593341 947542439 /nfs/dbraw/zinc/54/24/39/947542439.db2.gz LADIXGRLDYISBX-QMTHXVAHSA-N 1 1 262.309 1.783 20 5 CDBDMO Cn1ncc2c1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606842 947551908 /nfs/dbraw/zinc/55/19/08/947551908.db2.gz IIWXSJFUSOIJQC-OAHLLOKOSA-N 1 1 298.346 1.854 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]13CCOC3)C2 ZINC001254610524 947555522 /nfs/dbraw/zinc/55/55/22/947555522.db2.gz KLMCZAXJRWGMGT-GJZGRUSLSA-N 1 1 274.320 1.927 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CO)CC1 ZINC001328538640 955331264 /nfs/dbraw/zinc/33/12/64/955331264.db2.gz NRDMHLQXUHFDGN-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO 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O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cocn2)c1 ZINC000591735420 342644890 /nfs/dbraw/zinc/64/48/90/342644890.db2.gz ZHAFVWKOFCYGKS-GFCCVEGCSA-N 1 1 293.279 1.112 20 5 CDBDMO C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000592748595 342721476 /nfs/dbraw/zinc/72/14/76/342721476.db2.gz MGKRLFHTBDFVIS-ZWNOBZJWSA-N 1 1 289.335 1.824 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CCO ZINC000593109936 342769471 /nfs/dbraw/zinc/76/94/71/342769471.db2.gz OJVVZAUEIASADT-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C/C=C/CO)OCCO2 ZINC000594973595 342992366 /nfs/dbraw/zinc/99/23/66/342992366.db2.gz GQKJSUPIRWJCGC-OWOJBTEDSA-N 1 1 280.280 1.004 20 5 CDBDMO C[N@@H+](CCc1c[nH]nn1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477507 343064641 /nfs/dbraw/zinc/06/46/41/343064641.db2.gz UYGZIUPBZCVRAS-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO C[N@H+](CCc1cn[nH]n1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477507 343064643 /nfs/dbraw/zinc/06/46/43/343064643.db2.gz UYGZIUPBZCVRAS-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO C[N@@H+](CCc1cn[nH]n1)CCc1cccc([N+](=O)[O-])c1 ZINC000595477507 343064645 /nfs/dbraw/zinc/06/46/45/343064645.db2.gz UYGZIUPBZCVRAS-UHFFFAOYSA-N 1 1 275.312 1.430 20 5 CDBDMO COCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077408877 342329933 /nfs/dbraw/zinc/32/99/33/342329933.db2.gz JFYQJDIHFTVKSQ-UHFFFAOYSA-N 1 1 281.312 1.136 20 5 CDBDMO COCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077408877 342329934 /nfs/dbraw/zinc/32/99/34/342329934.db2.gz JFYQJDIHFTVKSQ-UHFFFAOYSA-N 1 1 281.312 1.136 20 5 CDBDMO C[C@](O)(CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343462 342335859 /nfs/dbraw/zinc/33/58/59/342335859.db2.gz UEQDUHDNZWPDPZ-AWEZNQCLSA-N 1 1 295.339 1.090 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)c1[N+](=O)[O-] ZINC000595671370 343127805 /nfs/dbraw/zinc/12/78/05/343127805.db2.gz FBFFFOORTGOOEY-KOLCDFICSA-N 1 1 283.328 1.874 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 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CBAGYJQTFWJSEL-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980400 344306890 /nfs/dbraw/zinc/30/68/90/344306890.db2.gz VHPFTVJUGXYJBH-GFCCVEGCSA-N 1 1 265.313 1.016 20 5 CDBDMO CC[N@@H+](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131418957 362404276 /nfs/dbraw/zinc/40/42/76/362404276.db2.gz PCJHDYZSFVXKKV-UHFFFAOYSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1ccncc1 ZINC000602795687 344586545 /nfs/dbraw/zinc/58/65/45/344586545.db2.gz CFNYWKFVSWXREF-UHFFFAOYSA-N 1 1 289.339 1.669 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000602798624 344589461 /nfs/dbraw/zinc/58/94/61/344589461.db2.gz QXSWDFSSAZWXAP-CMPLNLGQSA-N 1 1 282.344 1.193 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000602990417 344681625 /nfs/dbraw/zinc/68/16/25/344681625.db2.gz UJELLNCGASFUIR-PSASIEDQSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000602990417 344681628 /nfs/dbraw/zinc/68/16/28/344681628.db2.gz UJELLNCGASFUIR-PSASIEDQSA-N 1 1 269.301 1.484 20 5 CDBDMO COCCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066379027 344716185 /nfs/dbraw/zinc/71/61/85/344716185.db2.gz RURGXATXKNXREB-CYBMUJFWSA-N 1 1 298.339 1.303 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000292904074 362517787 /nfs/dbraw/zinc/51/77/87/362517787.db2.gz AREMZQDUAICMCD-ZDUSSCGKSA-N 1 1 280.324 1.820 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000265819164 362608130 /nfs/dbraw/zinc/60/81/30/362608130.db2.gz KNRVCKDEYWRFKS-GFCCVEGCSA-N 1 1 280.324 1.678 20 5 CDBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000305291250 349946052 /nfs/dbraw/zinc/94/60/52/349946052.db2.gz GDRMPRXGWSWQRW-ZDUSSCGKSA-N 1 1 290.323 1.284 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000610585165 346320157 /nfs/dbraw/zinc/32/01/57/346320157.db2.gz CTTGMUVAVFSGKJ-CMPLNLGQSA-N 1 1 275.308 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C[C@H](C1CC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159724053 363233062 /nfs/dbraw/zinc/23/30/62/363233062.db2.gz XBBXHHWBJNTOST-SNVBAGLBSA-N 1 1 265.313 1.487 20 5 CDBDMO Cc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000250886220 366110795 /nfs/dbraw/zinc/11/07/95/366110795.db2.gz BBUIGLAHYCUYCW-RYUDHWBXSA-N 1 1 292.339 1.573 20 5 CDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528313 356305641 /nfs/dbraw/zinc/30/56/41/356305641.db2.gz MHZRCSYGCSFBCV-ZYHUDNBSSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000219436425 356349682 /nfs/dbraw/zinc/34/96/82/356349682.db2.gz NIBHYWBEBFDSEJ-SECBINFHSA-N 1 1 250.302 1.884 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341291693 357219731 /nfs/dbraw/zinc/21/97/31/357219731.db2.gz SZRMGEFZGKXSDF-UFBFGSQYSA-N 1 1 284.287 1.555 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341291693 357219735 /nfs/dbraw/zinc/21/97/35/357219735.db2.gz SZRMGEFZGKXSDF-UFBFGSQYSA-N 1 1 284.287 1.555 20 5 CDBDMO Cc1nn(C)c(N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000120232343 357377811 /nfs/dbraw/zinc/37/78/11/357377811.db2.gz JHXBOPGSPONOQN-UHFFFAOYSA-N 1 1 292.343 1.668 20 5 CDBDMO C[C@@H](c1nncn1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286804006 358011508 /nfs/dbraw/zinc/01/15/08/358011508.db2.gz JCRABPLEXGFAPO-NSHDSACASA-N 1 1 289.339 1.959 20 5 CDBDMO C[C@@H](c1nncn1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286804006 358011510 /nfs/dbraw/zinc/01/15/10/358011510.db2.gz JCRABPLEXGFAPO-NSHDSACASA-N 1 1 289.339 1.959 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189543758 358023637 /nfs/dbraw/zinc/02/36/37/358023637.db2.gz ZVEBGXDEZJUREW-QWHCGFSZSA-N 1 1 293.367 1.482 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000126699287 358216138 /nfs/dbraw/zinc/21/61/38/358216138.db2.gz FMNXGLYQHGUWOC-NSHDSACASA-N 1 1 284.337 1.262 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2CCO)n1 ZINC000176237980 358745609 /nfs/dbraw/zinc/74/56/09/358745609.db2.gz BHSQMUVAUHMSCE-LLVKDONJSA-N 1 1 268.317 1.028 20 5 CDBDMO NC(=O)c1c[nH+]ccc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000302012361 283390243 /nfs/dbraw/zinc/39/02/43/283390243.db2.gz DBFAVXVBJMKQPN-UHFFFAOYSA-N 1 1 298.302 1.651 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000101957114 358867331 /nfs/dbraw/zinc/86/73/31/358867331.db2.gz IBLNNVMETDTXMH-UHFFFAOYSA-N 1 1 295.314 1.948 20 5 CDBDMO C[C@H](c1cccnc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000093226764 359023356 /nfs/dbraw/zinc/02/33/56/359023356.db2.gz ZNGVNAOGPARFRD-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000105791039 358986492 /nfs/dbraw/zinc/98/64/92/358986492.db2.gz CFGBVQLMJRMILI-LLVKDONJSA-N 1 1 280.328 1.147 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000119797155 359018605 /nfs/dbraw/zinc/01/86/05/359018605.db2.gz CWBWGVICDGCYDH-UHFFFAOYSA-N 1 1 275.312 1.708 20 5 CDBDMO C[C@H]1CCCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408341773 359667892 /nfs/dbraw/zinc/66/78/92/359667892.db2.gz SWVXZPOPHSAZMM-JTQLQIEISA-N 1 1 252.318 1.950 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297525595 200218029 /nfs/dbraw/zinc/21/80/29/200218029.db2.gz OUXOVALHMYTVRM-UHFFFAOYSA-N 1 1 290.327 1.725 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000075718740 359972382 /nfs/dbraw/zinc/97/23/82/359972382.db2.gz YNXXZPIUEMXBIN-CQSZACIVSA-N 1 1 294.355 1.559 20 5 CDBDMO COc1ccc(OCC[N@@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000176366337 360252402 /nfs/dbraw/zinc/25/24/02/360252402.db2.gz GUFNHERHSLSOLH-UHFFFAOYSA-N 1 1 298.339 1.685 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[N@H+]1C1CC1 ZINC000177154663 238273485 /nfs/dbraw/zinc/27/34/85/238273485.db2.gz KWDGFXBPMGUIQY-DTWKUNHWSA-N 1 1 279.296 1.543 20 5 CDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180489561 189258382 /nfs/dbraw/zinc/25/83/82/189258382.db2.gz JPNHJYHAGXWSIK-ZDUSSCGKSA-N 1 1 293.367 1.747 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000267697464 361322202 /nfs/dbraw/zinc/32/22/02/361322202.db2.gz SZZPPKNOWDXMHR-ZDUSSCGKSA-N 1 1 266.297 1.694 20 5 CDBDMO C[C@H](O)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000159492724 361494190 /nfs/dbraw/zinc/49/41/90/361494190.db2.gz KYPQJGCOJGOEEG-GXFFZTMASA-N 1 1 293.323 1.013 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340906263 363858266 /nfs/dbraw/zinc/85/82/66/363858266.db2.gz ATWWYIPGBKZWSV-SKDRFNHKSA-N 1 1 250.298 1.858 20 5 CDBDMO CC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412852317 240398523 /nfs/dbraw/zinc/39/85/23/240398523.db2.gz WYUYKQXZKIBCED-NSHDSACASA-N 1 1 295.314 1.487 20 5 CDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275575914 193077884 /nfs/dbraw/zinc/07/78/84/193077884.db2.gz PGOOHTBRNJHBMV-CYBMUJFWSA-N 1 1 298.314 1.971 20 5 CDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275575914 193077887 /nfs/dbraw/zinc/07/78/87/193077887.db2.gz PGOOHTBRNJHBMV-CYBMUJFWSA-N 1 1 298.314 1.971 20 5 CDBDMO CC1=CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270573122 366904705 /nfs/dbraw/zinc/90/47/05/366904705.db2.gz OFVQGEBDMJIHCW-UHFFFAOYSA-N 1 1 263.297 1.409 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000270858168 366938706 /nfs/dbraw/zinc/93/87/06/366938706.db2.gz HTFRVDKDXMOTRP-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000270858168 366938713 /nfs/dbraw/zinc/93/87/13/366938713.db2.gz HTFRVDKDXMOTRP-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000570593873 294269568 /nfs/dbraw/zinc/26/95/68/294269568.db2.gz OGGWLNBKQLHRNJ-JTQLQIEISA-N 1 1 293.323 1.515 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000094774405 366995196 /nfs/dbraw/zinc/99/51/96/366995196.db2.gz MZNXLBXGNJAOBC-JTQLQIEISA-N 1 1 254.261 1.691 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000272022935 367056573 /nfs/dbraw/zinc/05/65/73/367056573.db2.gz XTTYZNCRMYLROQ-UHFFFAOYSA-N 1 1 290.323 1.978 20 5 CDBDMO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360440 367033260 /nfs/dbraw/zinc/03/32/60/367033260.db2.gz CRQAXLPGWDSARJ-UHFFFAOYSA-N 1 1 269.257 1.317 20 5 CDBDMO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360440 367033262 /nfs/dbraw/zinc/03/32/62/367033262.db2.gz CRQAXLPGWDSARJ-UHFFFAOYSA-N 1 1 269.257 1.317 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@H]1C ZINC000330676324 203106391 /nfs/dbraw/zinc/10/63/91/203106391.db2.gz UDFGWPBOWRZDAM-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO CC(C)(C)[C@H](C[NH3+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420367075 244153467 /nfs/dbraw/zinc/15/34/67/244153467.db2.gz SAWOMHAOJVUMFR-ZDUSSCGKSA-N 1 1 281.356 1.937 20 5 CDBDMO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382714 244179296 /nfs/dbraw/zinc/17/92/96/244179296.db2.gz ZYCRCCMGEYHTSG-TYNCELHUSA-N 1 1 293.367 1.950 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645042 244308693 /nfs/dbraw/zinc/30/86/93/244308693.db2.gz ZRJOQAROEBKXAD-LLVKDONJSA-N 1 1 250.302 1.520 20 5 CDBDMO Cc1c(C[N@H+](C)[C@@]2(CO)CCOC2)cccc1[N+](=O)[O-] ZINC000330819218 203274799 /nfs/dbraw/zinc/27/47/99/203274799.db2.gz ONNNUXINPKFHLQ-CQSZACIVSA-N 1 1 280.324 1.486 20 5 CDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351823126 369303816 /nfs/dbraw/zinc/30/38/16/369303816.db2.gz CKMXVHGJPUMYCQ-GXFFZTMASA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346839 /nfs/dbraw/zinc/34/68/39/203346839.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346843 /nfs/dbraw/zinc/34/68/43/203346843.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 1 1 279.340 1.312 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693984 370571689 /nfs/dbraw/zinc/57/16/89/370571689.db2.gz LXUNHFMTIFFBHZ-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796644 204174904 /nfs/dbraw/zinc/17/49/04/204174904.db2.gz QYYLDDQTWKNVBA-RYUDHWBXSA-N 1 1 296.371 1.964 20 5 CDBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796644 204174909 /nfs/dbraw/zinc/17/49/09/204174909.db2.gz QYYLDDQTWKNVBA-RYUDHWBXSA-N 1 1 296.371 1.964 20 5 CDBDMO Cc1cnc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266237411 371546199 /nfs/dbraw/zinc/54/61/99/371546199.db2.gz WEBIZRRLJHPASF-LBPRGKRZSA-N 1 1 294.355 1.678 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275168776 374692049 /nfs/dbraw/zinc/69/20/49/374692049.db2.gz RWWHUCFGOQQKIO-UHFFFAOYSA-N 1 1 299.233 1.665 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780400 374749754 /nfs/dbraw/zinc/74/97/54/374749754.db2.gz XNNNBWHZONIISF-JQWIXIFHSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780400 374749758 /nfs/dbraw/zinc/74/97/58/374749758.db2.gz XNNNBWHZONIISF-JQWIXIFHSA-N 1 1 280.328 1.429 20 5 CDBDMO CO[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276887783 374756773 /nfs/dbraw/zinc/75/67/73/374756773.db2.gz NFVSRKWIHRYKJI-OKILXGFUSA-N 1 1 296.323 1.319 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC1 ZINC000282437689 375085008 /nfs/dbraw/zinc/08/50/08/375085008.db2.gz KTYKKMCZDPIHCZ-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC1 ZINC000282437689 375085019 /nfs/dbraw/zinc/08/50/19/375085019.db2.gz KTYKKMCZDPIHCZ-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000299620201 375186688 /nfs/dbraw/zinc/18/66/88/375186688.db2.gz DPRHCGREGHEQGA-UHFFFAOYSA-N 1 1 293.323 1.427 20 5 CDBDMO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331046 375444406 /nfs/dbraw/zinc/44/44/06/375444406.db2.gz FZYBADACXRTDNA-YBJDMEARSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(C)OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304963555 375527738 /nfs/dbraw/zinc/52/77/38/375527738.db2.gz NVBFABGVSNIPJG-HNNXBMFYSA-N 1 1 294.351 1.739 20 5 CDBDMO CC(C)OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000304963555 375527743 /nfs/dbraw/zinc/52/77/43/375527743.db2.gz NVBFABGVSNIPJG-HNNXBMFYSA-N 1 1 294.351 1.739 20 5 CDBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000354558235 375726513 /nfs/dbraw/zinc/72/65/13/375726513.db2.gz ASFWUQQBEMYNRY-WPRPVWTQSA-N 1 1 251.290 1.279 20 5 CDBDMO Cn1c(C(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000354437654 375713056 /nfs/dbraw/zinc/71/30/56/375713056.db2.gz FVRCUWHMEBOFEN-UHFFFAOYSA-N 1 1 292.339 1.244 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)CC1 ZINC000267070433 376807395 /nfs/dbraw/zinc/80/73/95/376807395.db2.gz VSIAPXUZIYBASD-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CCc1n[nH]c(C(=O)NCC[N@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000264682346 190128326 /nfs/dbraw/zinc/12/83/26/190128326.db2.gz PUSYRRAPGWKIEF-VIFPVBQESA-N 1 1 297.359 1.340 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266839402 377464217 /nfs/dbraw/zinc/46/42/17/377464217.db2.gz LOKLGSLAZDLRPQ-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO C[N@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000286317923 377889254 /nfs/dbraw/zinc/88/92/54/377889254.db2.gz FHMLRXMPBCQCKW-UHFFFAOYSA-N 1 1 255.249 1.041 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000286317923 377889258 /nfs/dbraw/zinc/88/92/58/377889258.db2.gz FHMLRXMPBCQCKW-UHFFFAOYSA-N 1 1 255.249 1.041 20 5 CDBDMO CC(C)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000446974723 250329160 /nfs/dbraw/zinc/32/91/60/250329160.db2.gz LEOKDEOONKQCQL-ZIAGYGMSSA-N 1 1 280.324 1.256 20 5 CDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000279163057 194312642 /nfs/dbraw/zinc/31/26/42/194312642.db2.gz BPPGOISVDFZDFI-AWEZNQCLSA-N 1 1 289.335 1.838 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ncc1[N+](=O)[O-] ZINC000450251541 251193193 /nfs/dbraw/zinc/19/31/93/251193193.db2.gz BKKISZUOISEUSM-QWRGUYRKSA-N 1 1 277.328 1.732 20 5 CDBDMO Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450380021 251255102 /nfs/dbraw/zinc/25/51/02/251255102.db2.gz POWXCKIPRFBTNO-MWLCHTKSSA-N 1 1 279.344 1.834 20 5 CDBDMO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312508 197293248 /nfs/dbraw/zinc/29/32/48/197293248.db2.gz FDQZDDXJNJIVKM-XHDPSFHLSA-N 1 1 293.367 1.701 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568996 390631325 /nfs/dbraw/zinc/63/13/25/390631325.db2.gz SFJWSEZYIXLEFB-LLVKDONJSA-N 1 1 282.344 1.538 20 5 CDBDMO CC[C@]1(CO)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581392 390858889 /nfs/dbraw/zinc/85/88/89/390858889.db2.gz CJDOAODOYIVGCW-ZDUSSCGKSA-N 1 1 282.344 1.276 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067110 391229796 /nfs/dbraw/zinc/22/97/96/391229796.db2.gz AVYDIAQGSGRFCO-GHMZBOCLSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067110 391229798 /nfs/dbraw/zinc/22/97/98/391229798.db2.gz AVYDIAQGSGRFCO-GHMZBOCLSA-N 1 1 277.324 1.759 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411243851 391415265 /nfs/dbraw/zinc/41/52/65/391415265.db2.gz YLRXGNIKJGYBTJ-ZDUSSCGKSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1sc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000190250288 130079326 /nfs/dbraw/zinc/07/93/26/130079326.db2.gz PYEIGEWPRSOBDE-UHFFFAOYSA-N 1 1 279.268 1.289 20 5 CDBDMO CC(C)[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000487086922 391886637 /nfs/dbraw/zinc/88/66/37/391886637.db2.gz OMKYJRWDULHAQV-GFCCVEGCSA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773188 392213542 /nfs/dbraw/zinc/21/35/42/392213542.db2.gz XMKIIXXUUAKWCO-MNOVXSKESA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248336653 131113223 /nfs/dbraw/zinc/11/32/23/131113223.db2.gz HDCCITJMKFEXKL-ZJUUUORDSA-N 1 1 277.324 1.924 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000523352921 392887953 /nfs/dbraw/zinc/88/79/53/392887953.db2.gz UZGKDCOOQKTRMC-SNVBAGLBSA-N 1 1 280.328 1.383 20 5 CDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1C[NH2+]C1 ZINC000423309511 392961289 /nfs/dbraw/zinc/96/12/89/392961289.db2.gz ZZCPMMQCCYIJIW-JTQLQIEISA-N 1 1 292.339 1.121 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425932050 393033904 /nfs/dbraw/zinc/03/39/04/393033904.db2.gz OJJHOXAMXOEAMW-AWEZNQCLSA-N 1 1 264.325 1.984 20 5 CDBDMO CC(C)[C@@](C)(CN)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000430599020 393102661 /nfs/dbraw/zinc/10/26/61/393102661.db2.gz PJCCUYLJYLUJKA-CQSZACIVSA-N 1 1 281.356 1.937 20 5 CDBDMO CC(C)[C@@](C)(C[NH3+])NCCOc1ccccc1[N+](=O)[O-] ZINC000430599020 393102666 /nfs/dbraw/zinc/10/26/66/393102666.db2.gz PJCCUYLJYLUJKA-CQSZACIVSA-N 1 1 281.356 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916839 393057798 /nfs/dbraw/zinc/05/77/98/393057798.db2.gz QSBXFOGALJSXNE-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO CC[N@@H+](CCOCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000281935753 393163576 /nfs/dbraw/zinc/16/35/76/393163576.db2.gz DQMSJJRXRCYUDV-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(CC2)C1 ZINC000187000023 140074226 /nfs/dbraw/zinc/07/42/26/140074226.db2.gz IEUUDXHNUKXQGI-UHFFFAOYSA-N 1 1 277.324 1.633 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228107879 140190275 /nfs/dbraw/zinc/19/02/75/140190275.db2.gz VTZZUTQYCKSSBA-ZLKJLUDKSA-N 1 1 292.335 1.806 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261661154 140371235 /nfs/dbraw/zinc/37/12/35/140371235.db2.gz KLIFMQXMAOIKOE-HNNXBMFYSA-N 1 1 290.367 1.074 20 5 CDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CC[N@@H+](C)CC1 ZINC000543754606 397627386 /nfs/dbraw/zinc/62/73/86/397627386.db2.gz UJXMHYUVDIHOGE-JTQLQIEISA-N 1 1 292.339 1.314 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000101955467 147141407 /nfs/dbraw/zinc/14/14/07/147141407.db2.gz DACJXDABEZAPMS-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000262061304 149006788 /nfs/dbraw/zinc/00/67/88/149006788.db2.gz RQXGJLXLXKAHBA-CYBMUJFWSA-N 1 1 295.343 1.081 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000313416520 149243918 /nfs/dbraw/zinc/24/39/18/149243918.db2.gz WKLMARNNYFZZOU-SNVBAGLBSA-N 1 1 281.287 1.431 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000313416520 149243919 /nfs/dbraw/zinc/24/39/19/149243919.db2.gz WKLMARNNYFZZOU-SNVBAGLBSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000334020867 149300814 /nfs/dbraw/zinc/30/08/14/149300814.db2.gz DHNMPLPFDGINEQ-UWVGGRQHSA-N 1 1 292.339 1.390 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570807 152228559 /nfs/dbraw/zinc/22/85/59/152228559.db2.gz ABIYBALUCBWALB-NSHDSACASA-N 1 1 294.355 1.538 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344035333 152398178 /nfs/dbraw/zinc/39/81/78/152398178.db2.gz RQTHRSFYZGEZFK-NILFDRSVSA-N 1 1 292.335 1.676 20 5 CDBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000352219656 155032938 /nfs/dbraw/zinc/03/29/38/155032938.db2.gz DYZCXRQBCHGUQB-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000352219656 155032939 /nfs/dbraw/zinc/03/29/39/155032939.db2.gz DYZCXRQBCHGUQB-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352222424 155034796 /nfs/dbraw/zinc/03/47/96/155034796.db2.gz QNJGGKHDQZOBQN-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000375584845 160394209 /nfs/dbraw/zinc/39/42/09/160394209.db2.gz PJLYMHOQSRGCFS-ZJUUUORDSA-N 1 1 298.368 1.087 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000359741387 158357877 /nfs/dbraw/zinc/35/78/77/158357877.db2.gz DZDZONUHROUSFP-SNVBAGLBSA-N 1 1 297.359 1.179 20 5 CDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000362605467 159193552 /nfs/dbraw/zinc/19/35/52/159193552.db2.gz FWANLZKOLSZJLP-SNVBAGLBSA-N 1 1 297.359 1.026 20 5 CDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000362605467 159193555 /nfs/dbraw/zinc/19/35/55/159193555.db2.gz FWANLZKOLSZJLP-SNVBAGLBSA-N 1 1 297.359 1.026 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374412285 160284053 /nfs/dbraw/zinc/28/40/53/160284053.db2.gz RCHOPMVJMKFNMZ-WDEREUQCSA-N 1 1 280.328 1.187 20 5 CDBDMO Cc1c[nH]nc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000284227057 196008718 /nfs/dbraw/zinc/00/87/18/196008718.db2.gz YSPCQJGASMIYAU-UHFFFAOYSA-N 1 1 260.297 1.959 20 5 CDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284319798 196029911 /nfs/dbraw/zinc/02/99/11/196029911.db2.gz AYCDDYYFCHXWRH-GJZGRUSLSA-N 1 1 291.351 1.500 20 5 CDBDMO CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702093 196371391 /nfs/dbraw/zinc/37/13/91/196371391.db2.gz OKJQXCSXTCNHTB-WDEREUQCSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702093 196371392 /nfs/dbraw/zinc/37/13/92/196371392.db2.gz OKJQXCSXTCNHTB-WDEREUQCSA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702090 196371797 /nfs/dbraw/zinc/37/17/97/196371797.db2.gz OKJQXCSXTCNHTB-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285702090 196371798 /nfs/dbraw/zinc/37/17/98/196371798.db2.gz OKJQXCSXTCNHTB-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720480 196377904 /nfs/dbraw/zinc/37/79/04/196377904.db2.gz PHZFACIOEWRIEI-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285720480 196377905 /nfs/dbraw/zinc/37/79/05/196377905.db2.gz PHZFACIOEWRIEI-MNOVXSKESA-N 1 1 295.339 1.889 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000519020403 265297916 /nfs/dbraw/zinc/29/79/16/265297916.db2.gz FSJFOUGNMURPSS-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000519020403 265297920 /nfs/dbraw/zinc/29/79/20/265297920.db2.gz FSJFOUGNMURPSS-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1C ZINC000408070156 274331239 /nfs/dbraw/zinc/33/12/39/274331239.db2.gz FNCCNWPQETZLKU-BDAKNGLRSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C[N@H+]1C ZINC000408070156 274331240 /nfs/dbraw/zinc/33/12/40/274331240.db2.gz FNCCNWPQETZLKU-BDAKNGLRSA-N 1 1 267.285 1.352 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000278742107 275036468 /nfs/dbraw/zinc/03/64/68/275036468.db2.gz RBJRHZXRRDNTIN-UHFFFAOYSA-N 1 1 273.296 1.645 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023824 277182067 /nfs/dbraw/zinc/18/20/67/277182067.db2.gz WGUUPYVNKDDWCL-JQWIXIFHSA-N 1 1 277.328 1.305 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089483 278366660 /nfs/dbraw/zinc/36/66/60/278366660.db2.gz DOAPMAUCCAXVNF-JTQLQIEISA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480250 279081785 /nfs/dbraw/zinc/08/17/85/279081785.db2.gz DYYHLOKMVPTBDN-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480250 279081787 /nfs/dbraw/zinc/08/17/87/279081787.db2.gz DYYHLOKMVPTBDN-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO CSCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552521 279279305 /nfs/dbraw/zinc/27/93/05/279279305.db2.gz MUWYIEBUWIZPIO-UHFFFAOYSA-N 1 1 271.342 1.051 20 5 CDBDMO Cc1n[nH]c(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457078114 280189253 /nfs/dbraw/zinc/18/92/53/280189253.db2.gz QFRRSJWRVJDOIG-UHFFFAOYSA-N 1 1 295.343 1.231 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000272399618 281022001 /nfs/dbraw/zinc/02/20/01/281022001.db2.gz DNJKODBLEZSYIB-QWRGUYRKSA-N 1 1 292.339 1.707 20 5 CDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056162 288299177 /nfs/dbraw/zinc/29/91/77/288299177.db2.gz OYVPLWGPRARDCP-NEPJUHHUSA-N 1 1 293.371 1.387 20 5 CDBDMO Cc1ccc(C[N@@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093320262 289057424 /nfs/dbraw/zinc/05/74/24/289057424.db2.gz KLHCYALAEDCVHG-UHFFFAOYSA-N 1 1 291.351 1.957 20 5 CDBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000553300290 290110213 /nfs/dbraw/zinc/11/02/13/290110213.db2.gz BLKOWDJFPKQOGS-GFCCVEGCSA-N 1 1 291.351 1.893 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000574739682 295045677 /nfs/dbraw/zinc/04/56/77/295045677.db2.gz YJMRCQQOLPRESQ-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO C[N@H+]1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160106 316150559 /nfs/dbraw/zinc/15/05/59/316150559.db2.gz LJKCVNSQHJPGDR-VIFPVBQESA-N 1 1 289.295 1.383 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000583486595 325185054 /nfs/dbraw/zinc/18/50/54/325185054.db2.gz OLXZBUZRYMTHHC-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000337313482 522680954 /nfs/dbraw/zinc/68/09/54/522680954.db2.gz GYBQEQKJGZKBFD-UHFFFAOYSA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1c(CNC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726023 /nfs/dbraw/zinc/72/60/23/525726023.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 1 1 292.383 1.239 20 5 CDBDMO Cc1c(CNC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726032 /nfs/dbraw/zinc/72/60/32/525726032.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 1 1 292.383 1.239 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983298 526910125 /nfs/dbraw/zinc/91/01/25/526910125.db2.gz OKVODQLLPMXIPG-LLVKDONJSA-N 1 1 263.297 1.292 20 5 CDBDMO CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000269237718 535243398 /nfs/dbraw/zinc/24/33/98/535243398.db2.gz LPDYOMICJYIRAH-UHFFFAOYSA-N 1 1 295.343 1.231 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000746384314 576773978 /nfs/dbraw/zinc/77/39/78/576773978.db2.gz YHWIZPARDKVUFS-CYBMUJFWSA-N 1 1 293.371 1.413 20 5 CDBDMO C[C@@H]1COCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750117450 576976458 /nfs/dbraw/zinc/97/64/58/576976458.db2.gz WCBLSUDOLFXBKK-BXUZGUMPSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[N@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891451994 617416488 /nfs/dbraw/zinc/41/64/88/617416488.db2.gz CFLJCNAKNMGNPZ-UHFFFAOYSA-N 1 1 270.285 1.123 20 5 CDBDMO CC[N@@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891451994 617416491 /nfs/dbraw/zinc/41/64/91/617416491.db2.gz CFLJCNAKNMGNPZ-UHFFFAOYSA-N 1 1 270.285 1.123 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892119907 617492040 /nfs/dbraw/zinc/49/20/40/617492040.db2.gz HVRDNCUZPWCNFX-NSHDSACASA-N 1 1 281.360 1.861 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782637110 617536258 /nfs/dbraw/zinc/53/62/58/617536258.db2.gz ZUDGSZRUICEEPA-UHIISALHSA-N 1 1 262.309 1.970 20 5 CDBDMO CO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591230 617689270 /nfs/dbraw/zinc/68/92/70/617689270.db2.gz HTZOENVAZMZTLF-STQMWFEESA-N 1 1 266.297 1.349 20 5 CDBDMO CCOc1cc(C[N@@H+]2CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000934014386 617843686 /nfs/dbraw/zinc/84/36/86/617843686.db2.gz MCZKHVWPPHFCID-LLVKDONJSA-N 1 1 266.297 1.560 20 5 CDBDMO CCOc1cc(C[N@H+]2CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000934014386 617843691 /nfs/dbraw/zinc/84/36/91/617843691.db2.gz MCZKHVWPPHFCID-LLVKDONJSA-N 1 1 266.297 1.560 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893935600 618195747 /nfs/dbraw/zinc/19/57/47/618195747.db2.gz RDJJWBKWVWSIHN-KCJUWKMLSA-N 1 1 266.276 1.269 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826721992 618609069 /nfs/dbraw/zinc/60/90/69/618609069.db2.gz MITVWISEXCJMCK-LLVKDONJSA-N 1 1 271.361 1.280 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000894728385 619031978 /nfs/dbraw/zinc/03/19/78/619031978.db2.gz HUZZHRPHIXGOOE-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246683 619492175 /nfs/dbraw/zinc/49/21/75/619492175.db2.gz PBKSSZDKBGQNOW-ONGXEEELSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246683 619492177 /nfs/dbraw/zinc/49/21/77/619492177.db2.gz PBKSSZDKBGQNOW-ONGXEEELSA-N 1 1 284.385 1.703 20 5 CDBDMO Cn1c[nH+]cc1CCCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000902236727 624583808 /nfs/dbraw/zinc/58/38/08/624583808.db2.gz WNSFCZQTKVNOKC-UHFFFAOYSA-N 1 1 276.296 1.922 20 5 CDBDMO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000905136605 626650398 /nfs/dbraw/zinc/65/03/98/626650398.db2.gz LUKKRFJITPVBIU-ZYHUDNBSSA-N 1 1 263.297 1.047 20 5 CDBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156448016 630557123 /nfs/dbraw/zinc/55/71/23/630557123.db2.gz BABTWVXPSDULDD-VXGBXAGGSA-N 1 1 282.344 1.884 20 5 CDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156448016 630557127 /nfs/dbraw/zinc/55/71/27/630557127.db2.gz BABTWVXPSDULDD-VXGBXAGGSA-N 1 1 282.344 1.884 20 5 CDBDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000929726201 630712813 /nfs/dbraw/zinc/71/28/13/630712813.db2.gz QGGXSQOBQJYGIG-NSHDSACASA-N 1 1 252.314 1.835 20 5 CDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001167275326 1158554657 /nfs/dbraw/zinc/55/46/57/1158554657.db2.gz MNTSSFQJBPGLSJ-VIFPVBQESA-N 1 1 294.311 1.201 20 5 CDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC(C)(C)C[NH3+] ZINC001575923731 1171297477 /nfs/dbraw/zinc/29/74/77/1171297477.db2.gz OEMANRHIPRAFHW-JTQLQIEISA-N 1 1 294.355 1.639 20 5 CDBDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576252236 1171371868 /nfs/dbraw/zinc/37/18/68/1171371868.db2.gz QHPSWQDZMXXWPP-MJVIPROJSA-N 1 1 279.340 1.622 20 5 CDBDMO CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754045569 1185441450 /nfs/dbraw/zinc/44/14/50/1185441450.db2.gz TYTXJBUDFUXJBB-CHWSQXEVSA-N 1 1 283.372 1.280 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000304553482 1186631889 /nfs/dbraw/zinc/63/18/89/1186631889.db2.gz PEZZJVJCLMVVDP-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO C[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000312500733 1186698870 /nfs/dbraw/zinc/69/88/70/1186698870.db2.gz LOUNMXVSAFDMDX-FZMZJTMJSA-N 1 1 281.356 1.416 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931660007 697740799 /nfs/dbraw/zinc/74/07/99/697740799.db2.gz JBYACSWAGDGQGR-NSHDSACASA-N 1 1 297.742 1.862 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928571801 697841950 /nfs/dbraw/zinc/84/19/50/697841950.db2.gz ROAXWOLWZSREOY-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928571801 697841953 /nfs/dbraw/zinc/84/19/53/697841953.db2.gz ROAXWOLWZSREOY-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000840126539 697843010 /nfs/dbraw/zinc/84/30/10/697843010.db2.gz PNOQEBYELSNRHW-SKDRFNHKSA-N 1 1 282.344 1.722 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000840126539 697843014 /nfs/dbraw/zinc/84/30/14/697843014.db2.gz PNOQEBYELSNRHW-SKDRFNHKSA-N 1 1 282.344 1.722 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000929747224 697864889 /nfs/dbraw/zinc/86/48/89/697864889.db2.gz BOWGDZQKXXKMRO-CYBMUJFWSA-N 1 1 252.314 1.627 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000929747224 697864890 /nfs/dbraw/zinc/86/48/90/697864890.db2.gz BOWGDZQKXXKMRO-CYBMUJFWSA-N 1 1 252.314 1.627 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642021 698078719 /nfs/dbraw/zinc/07/87/19/698078719.db2.gz WFMOGVMOZCJAKQ-ZWNOBZJWSA-N 1 1 268.313 1.595 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CF)C1 ZINC000880238462 698291150 /nfs/dbraw/zinc/29/11/50/698291150.db2.gz HIHJFASBZKZUSQ-NSHDSACASA-N 1 1 270.308 1.781 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928564940 698531920 /nfs/dbraw/zinc/53/19/20/698531920.db2.gz XNYGCJLZNYKZPX-JTQLQIEISA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000928564940 698531929 /nfs/dbraw/zinc/53/19/29/698531929.db2.gz XNYGCJLZNYKZPX-JTQLQIEISA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164754314 698754748 /nfs/dbraw/zinc/75/47/48/698754748.db2.gz HBHNNMFBTHPEDP-RYUDHWBXSA-N 1 1 279.344 1.165 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928557715 698802141 /nfs/dbraw/zinc/80/21/41/698802141.db2.gz QGYCDTADGOONBW-GFCCVEGCSA-N 1 1 291.351 1.954 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928557715 698802142 /nfs/dbraw/zinc/80/21/42/698802142.db2.gz QGYCDTADGOONBW-GFCCVEGCSA-N 1 1 291.351 1.954 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000119014163 698820621 /nfs/dbraw/zinc/82/06/21/698820621.db2.gz CYUFDGOIAHYNGM-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000119014163 698820622 /nfs/dbraw/zinc/82/06/22/698820622.db2.gz CYUFDGOIAHYNGM-UHFFFAOYSA-N 1 1 294.307 1.422 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000852702187 698825117 /nfs/dbraw/zinc/82/51/17/698825117.db2.gz HXLGALBLARMVQO-BYCMXARLSA-N 1 1 294.351 1.579 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000882487192 698917673 /nfs/dbraw/zinc/91/76/73/698917673.db2.gz BKJNJNARRVPOLE-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO Cc1nn(CN(C)C[C@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000817374653 704818877 /nfs/dbraw/zinc/81/88/77/704818877.db2.gz UOCVNDOXMMZWKG-GFCCVEGCSA-N 1 1 281.360 1.392 20 5 CDBDMO CNc1c(C(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000712599534 704848593 /nfs/dbraw/zinc/84/85/93/704848593.db2.gz ULXSXHUSANKAIX-SECBINFHSA-N 1 1 278.312 1.070 20 5 CDBDMO CNc1c(C(=O)NC[C@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000712599534 704848598 /nfs/dbraw/zinc/84/85/98/704848598.db2.gz ULXSXHUSANKAIX-SECBINFHSA-N 1 1 278.312 1.070 20 5 CDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923371519 704888679 /nfs/dbraw/zinc/88/86/79/704888679.db2.gz XWDQJHRXIPGGBQ-UONOGXRCSA-N 1 1 293.367 1.606 20 5 CDBDMO CC1(C)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000788375852 704932327 /nfs/dbraw/zinc/93/23/27/704932327.db2.gz DPLAHHYGJQCIJB-UHFFFAOYSA-N 1 1 270.358 1.966 20 5 CDBDMO CC1(C)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000788375852 704932341 /nfs/dbraw/zinc/93/23/41/704932341.db2.gz DPLAHHYGJQCIJB-UHFFFAOYSA-N 1 1 270.358 1.966 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000886219945 704995170 /nfs/dbraw/zinc/99/51/70/704995170.db2.gz AKKAHVQBJUBHFS-NSHDSACASA-N 1 1 251.286 1.337 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000886219945 704995179 /nfs/dbraw/zinc/99/51/79/704995179.db2.gz AKKAHVQBJUBHFS-NSHDSACASA-N 1 1 251.286 1.337 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823287486 705234336 /nfs/dbraw/zinc/23/43/36/705234336.db2.gz ZSLFGOCTXXKPBO-UHFFFAOYSA-N 1 1 296.371 1.958 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634363 719221932 /nfs/dbraw/zinc/22/19/32/719221932.db2.gz GOUAKPHYEVVEQX-VHSXEESVSA-N 1 1 289.339 2.000 20 5 CDBDMO O=C1CCCN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782864468 848343128 /nfs/dbraw/zinc/34/31/28/848343128.db2.gz ZLRFMMGLRKOPJX-UHFFFAOYSA-N 1 1 293.327 1.008 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000887930289 848659569 /nfs/dbraw/zinc/65/95/69/848659569.db2.gz AZSGJKUYIQQKMW-YGRLFVJLSA-N 1 1 290.323 1.014 20 5 CDBDMO COC(=O)CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000779861645 848699969 /nfs/dbraw/zinc/69/99/69/848699969.db2.gz YLXRMODIUZAGAS-UHFFFAOYSA-N 1 1 284.316 1.331 20 5 CDBDMO COC(=O)CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000779861645 848699973 /nfs/dbraw/zinc/69/99/73/848699973.db2.gz YLXRMODIUZAGAS-UHFFFAOYSA-N 1 1 284.316 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000776590384 848715821 /nfs/dbraw/zinc/71/58/21/848715821.db2.gz DFRRDJSHYHWWDV-CABCVRRESA-N 1 1 292.335 1.741 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1(C)COC1 ZINC000886297468 848720348 /nfs/dbraw/zinc/72/03/48/848720348.db2.gz SCEFZTIMLXZRPZ-UHFFFAOYSA-N 1 1 251.286 1.458 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1(C)COC1 ZINC000886297468 848720353 /nfs/dbraw/zinc/72/03/53/848720353.db2.gz SCEFZTIMLXZRPZ-UHFFFAOYSA-N 1 1 251.286 1.458 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570584 848742293 /nfs/dbraw/zinc/74/22/93/848742293.db2.gz WOWUAHGWOORFEA-SNVBAGLBSA-N 1 1 295.364 1.507 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000928570584 848742294 /nfs/dbraw/zinc/74/22/94/848742294.db2.gz WOWUAHGWOORFEA-SNVBAGLBSA-N 1 1 295.364 1.507 20 5 CDBDMO C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C1 ZINC000828145298 848838205 /nfs/dbraw/zinc/83/82/05/848838205.db2.gz BBDRRJWPRWSGEQ-UHFFFAOYSA-N 1 1 271.361 1.375 20 5 CDBDMO COCCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000066371346 848857508 /nfs/dbraw/zinc/85/75/08/848857508.db2.gz VCXOSVZWTNIQBY-UHFFFAOYSA-N 1 1 278.312 1.870 20 5 CDBDMO COCC[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804422361 848860795 /nfs/dbraw/zinc/86/07/95/848860795.db2.gz OCROBWJPTFAIHF-UHFFFAOYSA-N 1 1 298.299 1.493 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CCOCC1 ZINC000886100517 849006727 /nfs/dbraw/zinc/00/67/27/849006727.db2.gz PDCGZMWFXFJBCH-UHFFFAOYSA-N 1 1 265.313 1.848 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000886279395 849136408 /nfs/dbraw/zinc/13/64/08/849136408.db2.gz XVPPWWUZCFRAPS-IAZYJMLFSA-N 1 1 265.313 1.439 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933910624 849186613 /nfs/dbraw/zinc/18/66/13/849186613.db2.gz ZVWQNUIYYYBLCU-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933910624 849186617 /nfs/dbraw/zinc/18/66/17/849186617.db2.gz ZVWQNUIYYYBLCU-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@](C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000794672190 849253667 /nfs/dbraw/zinc/25/36/67/849253667.db2.gz HKGBKANYMGWLII-ZDUSSCGKSA-N 1 1 282.344 1.603 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@](C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000794672190 849253676 /nfs/dbraw/zinc/25/36/76/849253676.db2.gz HKGBKANYMGWLII-ZDUSSCGKSA-N 1 1 282.344 1.603 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1O ZINC000886160501 849276155 /nfs/dbraw/zinc/27/61/55/849276155.db2.gz VYIOODQCEXTCST-LLVKDONJSA-N 1 1 265.313 1.583 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1O ZINC000886160501 849276167 /nfs/dbraw/zinc/27/61/67/849276167.db2.gz VYIOODQCEXTCST-LLVKDONJSA-N 1 1 265.313 1.583 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831944505 849630606 /nfs/dbraw/zinc/63/06/06/849630606.db2.gz XQUJNLQERIHUAH-LBPRGKRZSA-N 1 1 285.388 1.813 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717335 849847947 /nfs/dbraw/zinc/84/79/47/849847947.db2.gz FNGRPGGVCBKKQC-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001398913 849896065 /nfs/dbraw/zinc/89/60/65/849896065.db2.gz GIYPOOGZYSNKGF-ZIAGYGMSSA-N 1 1 295.383 1.446 20 5 CDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000823269318 850159774 /nfs/dbraw/zinc/15/97/74/850159774.db2.gz GKKDFUYICAKDRI-LURJTMIESA-N 1 1 296.239 1.191 20 5 CDBDMO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OCCO1 ZINC000877117926 850195814 /nfs/dbraw/zinc/19/58/14/850195814.db2.gz DLPMPGRELXPPFN-UHFFFAOYSA-N 1 1 293.279 1.589 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035034 850213814 /nfs/dbraw/zinc/21/38/14/850213814.db2.gz DYDSEPNIFQAYHY-JSGCOSHPSA-N 1 1 280.324 1.221 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000863483647 850218236 /nfs/dbraw/zinc/21/82/36/850218236.db2.gz PBAAYMOJZNAFTR-SNVBAGLBSA-N 1 1 285.731 1.326 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000812344326 850266432 /nfs/dbraw/zinc/26/64/32/850266432.db2.gz ULSYDYZILBURCC-ZJUUUORDSA-N 1 1 295.364 1.680 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886123309 850372596 /nfs/dbraw/zinc/37/25/96/850372596.db2.gz WPFCXRYLPMJELD-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO C[NH+](C)CC1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931483982 850376885 /nfs/dbraw/zinc/37/68/85/850376885.db2.gz INLQKKIPZAEFAB-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1C(N)=O ZINC001173229886 912322725 /nfs/dbraw/zinc/32/27/25/912322725.db2.gz VZCCHPCJPGXWJK-MFKMUULPSA-N 1 1 277.324 1.476 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001173230456 912329389 /nfs/dbraw/zinc/32/93/89/912329389.db2.gz YFJPBHHQFDMBEM-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO CCCCCOC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169004910 927607606 /nfs/dbraw/zinc/60/76/06/927607606.db2.gz RYRSLPHYCKWSBE-NWDGAFQWSA-N 1 1 272.345 1.755 20 5 CDBDMO CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033023 927640749 /nfs/dbraw/zinc/64/07/49/927640749.db2.gz BCNUPRDGEYWLDI-YNEHKIRRSA-N 1 1 256.346 1.933 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037773 927646864 /nfs/dbraw/zinc/64/68/64/927646864.db2.gz UEGYUCDWKFWRQN-RBSFLKMASA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001169037773 927646868 /nfs/dbraw/zinc/64/68/68/927646868.db2.gz UEGYUCDWKFWRQN-RBSFLKMASA-N 1 1 281.400 1.992 20 5 CDBDMO COC(=O)CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037525 927647592 /nfs/dbraw/zinc/64/75/92/927647592.db2.gz SBJLCBZMCRIBQN-FRRDWIJNSA-N 1 1 284.356 1.707 20 5 CDBDMO CC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169040240 927652572 /nfs/dbraw/zinc/65/25/72/927652572.db2.gz ZBGOGPPVEKEVJZ-UPJWGTAASA-N 1 1 254.330 1.733 20 5 CDBDMO COC[C@]12COC[C@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018905 927658937 /nfs/dbraw/zinc/65/89/37/927658937.db2.gz DHZSSMHDVGRRLU-REWJHTLYSA-N 1 1 284.356 1.027 20 5 CDBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023903 927663386 /nfs/dbraw/zinc/66/33/86/927663386.db2.gz GLKDBPMTQWDTSI-CSHRUCKSSA-N 1 1 284.356 1.310 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001169026592 927667174 /nfs/dbraw/zinc/66/71/74/927667174.db2.gz NBPWODJYOLMJBK-KFWWJZLASA-N 1 1 297.399 1.228 20 5 CDBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057460 927674789 /nfs/dbraw/zinc/67/47/89/927674789.db2.gz VLILBBRUUOQJKE-XQQFMLRXSA-N 1 1 283.372 1.422 20 5 CDBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488454 937802812 /nfs/dbraw/zinc/80/28/12/937802812.db2.gz BLHNWOZNLFEMOY-BXUZGUMPSA-N 1 1 281.356 1.416 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N2CC[N@H+]3CC[C@H]3C2)nc1Cl ZINC001158423928 938622501 /nfs/dbraw/zinc/62/25/01/938622501.db2.gz OSEPADWPKJKZJL-VIFPVBQESA-N 1 1 282.731 1.846 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158863554 938672653 /nfs/dbraw/zinc/67/26/53/938672653.db2.gz DQCIXGBZOLRZMS-UHFFFAOYSA-N 1 1 283.719 1.098 20 5 CDBDMO CC[N@H+]1CCCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001163771493 939326783 /nfs/dbraw/zinc/32/67/83/939326783.db2.gz ZIYCYLDMCAWUMA-UHFFFAOYSA-N 1 1 250.302 1.522 20 5 CDBDMO COc1[nH+]ccc(N)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203568517 939693944 /nfs/dbraw/zinc/69/39/44/939693944.db2.gz BVMQPXXGVZXXIH-UHFFFAOYSA-N 1 1 261.241 1.719 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOCc2ccccc2[N+](=O)[O-])C1 ZINC001222761396 941632553 /nfs/dbraw/zinc/63/25/53/941632553.db2.gz PWHXJEJSZBQKLE-CYBMUJFWSA-N 1 1 280.324 1.832 20 5 CDBDMO COC(=O)[C@H](O[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638876 941689167 /nfs/dbraw/zinc/68/91/67/941689167.db2.gz ABWVCUZTILHDEE-GXFFZTMASA-N 1 1 294.307 1.530 20 5 CDBDMO COC(=O)c1cccc(CO[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001223665553 941690464 /nfs/dbraw/zinc/69/04/64/941690464.db2.gz UNEXYZSNSZZBPX-NSHDSACASA-N 1 1 294.307 1.602 20 5 CDBDMO O=[N+]([O-])c1cccc(O)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226341342 941990508 /nfs/dbraw/zinc/99/05/08/941990508.db2.gz SKAPCBYDWNKCSP-SECBINFHSA-N 1 1 275.264 1.891 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733077 942059914 /nfs/dbraw/zinc/05/99/14/942059914.db2.gz GTUMFXNNMMYTER-JTQLQIEISA-N 1 1 252.274 1.248 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001226763702 942064584 /nfs/dbraw/zinc/06/45/84/942064584.db2.gz ZWEIZSWNGAIAQN-GDLCADMTSA-N 1 1 276.292 1.778 20 5 CDBDMO O=[N+]([O-])c1cnc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC001227109356 942134303 /nfs/dbraw/zinc/13/43/03/942134303.db2.gz XQJVNQHKGIPCNH-LLVKDONJSA-N 1 1 294.267 1.371 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271357 942161666 /nfs/dbraw/zinc/16/16/66/942161666.db2.gz UNMIETWUDQWEOU-QMMMGPOBSA-O 1 1 251.310 1.137 20 5 CDBDMO CCOC(=O)c1ccc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227297226 942165383 /nfs/dbraw/zinc/16/53/83/942165383.db2.gz NNDLJDNWASSWRH-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C2 ZINC001229455163 942476819 /nfs/dbraw/zinc/47/68/19/942476819.db2.gz WKFCDBDDUDQMCH-JGPRNRPPSA-N 1 1 279.296 1.232 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001254551825 947521439 /nfs/dbraw/zinc/52/14/39/947521439.db2.gz GGWMTGBBRAUKCP-OSAQELSMSA-N 1 1 294.351 1.201 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001331703357 957216627 /nfs/dbraw/zinc/21/66/27/957216627.db2.gz RIYLQASPPRJKHM-CYBMUJFWSA-N 1 1 263.297 1.337 20 5 CDBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001335883152 960078572 /nfs/dbraw/zinc/07/85/72/960078572.db2.gz XDQBTPRGRYXISR-ZWNOBZJWSA-N 1 1 267.329 1.168 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001337788138 961419677 /nfs/dbraw/zinc/41/96/77/961419677.db2.gz MQMBRUJAAAULMS-BDAKNGLRSA-N 1 1 265.317 1.467 20 5 CDBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001343844744 964156350 /nfs/dbraw/zinc/15/63/50/964156350.db2.gz MVUVDXVRHGAZHO-LLVKDONJSA-N 1 1 272.345 1.849 20 5 CDBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC001343844744 964156357 /nfs/dbraw/zinc/15/63/57/964156357.db2.gz MVUVDXVRHGAZHO-LLVKDONJSA-N 1 1 272.345 1.849 20 5 CDBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001517936939 970001518 /nfs/dbraw/zinc/00/15/18/970001518.db2.gz OUNWJPMXVPULGO-NSHDSACASA-N 1 1 292.339 1.976 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)nc1Cl ZINC001158863482 1163723243 /nfs/dbraw/zinc/72/32/43/1163723243.db2.gz APHVBMDHHOUDJI-UHFFFAOYSA-N 1 1 282.731 1.703 20 5 CDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CC1 ZINC001575922143 1171295401 /nfs/dbraw/zinc/29/54/01/1171295401.db2.gz JRWATUMCSNSRGZ-SNVBAGLBSA-N 1 1 292.339 1.393 20 5 CDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CC1 ZINC001575922143 1171295411 /nfs/dbraw/zinc/29/54/11/1171295411.db2.gz JRWATUMCSNSRGZ-SNVBAGLBSA-N 1 1 292.339 1.393 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187693 342488094 /nfs/dbraw/zinc/48/80/94/342488094.db2.gz VPDWWMSIDUXNKU-UHFFFAOYSA-N 1 1 264.329 1.829 20 5 CDBDMO COc1ccc(NC(=O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168684476 342514710 /nfs/dbraw/zinc/51/47/10/342514710.db2.gz HUILDTIPQPYFGU-UHFFFAOYSA-N 1 1 253.258 1.104 20 5 CDBDMO CC(C)O[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593055311 342760138 /nfs/dbraw/zinc/76/01/38/342760138.db2.gz JQEFTMRGORRQBK-ZDUSSCGKSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CO1 ZINC000593057270 342760365 /nfs/dbraw/zinc/76/03/65/342760365.db2.gz DYXWHSGLPLBFOY-RYUDHWBXSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CO1 ZINC000593057270 342760367 /nfs/dbraw/zinc/76/03/67/342760367.db2.gz DYXWHSGLPLBFOY-RYUDHWBXSA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@H](CCO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000593108260 342768873 /nfs/dbraw/zinc/76/88/73/342768873.db2.gz VQLAOTWBSJHBIA-LLVKDONJSA-N 1 1 295.339 1.260 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000593108260 342768874 /nfs/dbraw/zinc/76/88/74/342768874.db2.gz VQLAOTWBSJHBIA-LLVKDONJSA-N 1 1 295.339 1.260 20 5 CDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000593108262 342769014 /nfs/dbraw/zinc/76/90/14/342769014.db2.gz VQLAOTWBSJHBIA-NSHDSACASA-N 1 1 295.339 1.260 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000593108262 342769015 /nfs/dbraw/zinc/76/90/15/342769015.db2.gz VQLAOTWBSJHBIA-NSHDSACASA-N 1 1 295.339 1.260 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056836 342869248 /nfs/dbraw/zinc/86/92/48/342869248.db2.gz ZGZSTACDEVWDFR-LLVKDONJSA-N 1 1 280.324 1.819 20 5 CDBDMO CC(C)OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000074773247 342305818 /nfs/dbraw/zinc/30/58/18/342305818.db2.gz NKRWWGOEFGELSZ-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO Cc1noc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000595333899 343037734 /nfs/dbraw/zinc/03/77/34/343037734.db2.gz UVSLGJOTMLKRTL-NSHDSACASA-N 1 1 282.344 1.665 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1c[nH]nn1)C1CC1 ZINC000595388907 343053046 /nfs/dbraw/zinc/05/30/46/343053046.db2.gz YQRHOKKHZIYMDP-UHFFFAOYSA-N 1 1 287.323 1.920 20 5 CDBDMO Cc1noc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595426733 343056847 /nfs/dbraw/zinc/05/68/47/343056847.db2.gz QGOVYEMGLOPSJA-STQMWFEESA-N 1 1 281.312 1.938 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000075782617 342317491 /nfs/dbraw/zinc/31/74/91/342317491.db2.gz MZRVDHSXIFOWEX-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)C1CC1 ZINC000619531605 349792648 /nfs/dbraw/zinc/79/26/48/349792648.db2.gz NJZXYXCKYWPNOC-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595467887 343071808 /nfs/dbraw/zinc/07/18/08/343071808.db2.gz QITDPIKJLGYWNZ-GFCCVEGCSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595467887 343071810 /nfs/dbraw/zinc/07/18/10/343071810.db2.gz QITDPIKJLGYWNZ-GFCCVEGCSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995477 342332862 /nfs/dbraw/zinc/33/28/62/342332862.db2.gz AMUVPJHOCUNRRM-NSHDSACASA-N 1 1 280.328 1.370 20 5 CDBDMO CC[C@@H](C)[N@@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000595598461 343115292 /nfs/dbraw/zinc/11/52/92/343115292.db2.gz DJJQIVIGZVEZBL-LLVKDONJSA-N 1 1 267.329 1.877 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595769047 343146520 /nfs/dbraw/zinc/14/65/20/343146520.db2.gz IVHNOVIDECDNOA-GXFFZTMASA-N 1 1 250.298 1.940 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCO ZINC000595697456 343124964 /nfs/dbraw/zinc/12/49/64/343124964.db2.gz LISWWRLKZFGVPN-DGCLKSJQSA-N 1 1 282.344 1.274 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078583754 342338596 /nfs/dbraw/zinc/33/85/96/342338596.db2.gz KBRNUDREWJQWGN-NSHDSACASA-N 1 1 264.329 1.768 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595875581 343178277 /nfs/dbraw/zinc/17/82/77/343178277.db2.gz QYWYJWGUMGKSMG-IUODEOHRSA-N 1 1 294.351 1.924 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1COCCO1 ZINC000595744992 343150604 /nfs/dbraw/zinc/15/06/04/343150604.db2.gz XQBLUBPKXAFQTI-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000595744992 343150606 /nfs/dbraw/zinc/15/06/06/343150606.db2.gz XQBLUBPKXAFQTI-ZDUSSCGKSA-N 1 1 296.323 1.451 20 5 CDBDMO Nc1c(F)c(N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087193 343232868 /nfs/dbraw/zinc/23/28/68/343232868.db2.gz GGLYUGJURDWRDP-QMMMGPOBSA-N 1 1 280.303 1.965 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596270203 343281458 /nfs/dbraw/zinc/28/14/58/343281458.db2.gz WDDDDDWUTWFPLQ-SNVBAGLBSA-N 1 1 265.317 1.305 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483304 343328350 /nfs/dbraw/zinc/32/83/50/343328350.db2.gz YOLNKFJBKGHVBJ-SNVBAGLBSA-N 1 1 280.328 1.147 20 5 CDBDMO CCc1nn(C)c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000094159985 342430096 /nfs/dbraw/zinc/43/00/96/342430096.db2.gz BMKGOPHSUIWMAF-NSHDSACASA-N 1 1 295.387 1.669 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000597859707 343648699 /nfs/dbraw/zinc/64/86/99/343648699.db2.gz FZSIALSWNLCZQD-SECBINFHSA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000597859707 343648703 /nfs/dbraw/zinc/64/87/03/343648703.db2.gz FZSIALSWNLCZQD-SECBINFHSA-N 1 1 295.343 1.168 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000597859707 343648705 /nfs/dbraw/zinc/64/87/05/343648705.db2.gz FZSIALSWNLCZQD-SECBINFHSA-N 1 1 295.343 1.168 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598618326 343844141 /nfs/dbraw/zinc/84/41/41/343844141.db2.gz WDVHRXPCYNBESV-SECBINFHSA-N 1 1 281.287 1.431 20 5 CDBDMO NC(=O)c1ccc(C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000599600326 344099744 /nfs/dbraw/zinc/09/97/44/344099744.db2.gz QDDPBAQNINXOOE-UHFFFAOYSA-N 1 1 275.308 1.821 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623519 344500917 /nfs/dbraw/zinc/50/09/17/344500917.db2.gz HLLGHNJMZFIVMF-GXSJLCMTSA-N 1 1 250.302 1.703 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCOC1 ZINC000602775329 344578288 /nfs/dbraw/zinc/57/82/88/344578288.db2.gz HUXHFWAAWPKVOG-GFCCVEGCSA-N 1 1 282.344 1.458 20 5 CDBDMO CC[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786195 344599140 /nfs/dbraw/zinc/59/91/40/344599140.db2.gz CRCFELYHHCIWPU-LLVKDONJSA-N 1 1 252.318 1.832 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000602914143 344647382 /nfs/dbraw/zinc/64/73/82/344647382.db2.gz RUFIPKOTGPJKOE-CMPLNLGQSA-N 1 1 282.344 1.050 20 5 CDBDMO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057715816 347084627 /nfs/dbraw/zinc/08/46/27/347084627.db2.gz JHJROUOOVYYEIC-JTQLQIEISA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052954935 345309285 /nfs/dbraw/zinc/30/92/85/345309285.db2.gz YFPYSCIRSMLPMA-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000609548190 345631060 /nfs/dbraw/zinc/63/10/60/345631060.db2.gz UTBBQEXTEXTCRQ-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](CO)C1 ZINC000265796586 362613075 /nfs/dbraw/zinc/61/30/75/362613075.db2.gz HJHWQYXMAXKEAN-LLVKDONJSA-N 1 1 266.297 1.288 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000611087333 346602230 /nfs/dbraw/zinc/60/22/30/346602230.db2.gz AZFGBUTWPRLVBC-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000611087333 346602235 /nfs/dbraw/zinc/60/22/35/346602235.db2.gz AZFGBUTWPRLVBC-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO C[N@H+](Cc1ccsc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344195 347615038 /nfs/dbraw/zinc/61/50/38/347615038.db2.gz QARQCLVYWJTCKX-GFCCVEGCSA-N 1 1 296.352 1.346 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C[N@H+]1C ZINC000615496181 348560872 /nfs/dbraw/zinc/56/08/72/348560872.db2.gz IUTOGVPNDPQEKS-ZJUUUORDSA-N 1 1 250.302 1.519 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000046954164 348802232 /nfs/dbraw/zinc/80/22/32/348802232.db2.gz WBZLLASSTRUARF-MNOVXSKESA-N 1 1 294.355 1.773 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066137351 348974723 /nfs/dbraw/zinc/97/47/23/348974723.db2.gz PPESNMKYJFNQKT-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000067412010 349023819 /nfs/dbraw/zinc/02/38/19/349023819.db2.gz HUZBAFUIMMVMLO-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000068916289 349083840 /nfs/dbraw/zinc/08/38/40/349083840.db2.gz XVKZVUWULYXGRJ-UHFFFAOYSA-N 1 1 264.329 1.910 20 5 CDBDMO CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069091542 349089561 /nfs/dbraw/zinc/08/95/61/349089561.db2.gz LHQDXNSMTHDECD-GFCCVEGCSA-N 1 1 268.313 1.676 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000123215702 187078350 /nfs/dbraw/zinc/07/83/50/187078350.db2.gz WNZMAYUTDMGQGF-JTQLQIEISA-N 1 1 295.343 1.122 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562810 188029077 /nfs/dbraw/zinc/02/90/77/188029077.db2.gz RENYGGQQMJCMSZ-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290694546 357286386 /nfs/dbraw/zinc/28/63/86/357286386.db2.gz UZTIJMBNGVTIQA-SECBINFHSA-N 1 1 295.343 1.231 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000365809920 357487479 /nfs/dbraw/zinc/48/74/79/357487479.db2.gz HWHFVXYFNPLWCW-UHFFFAOYSA-N 1 1 294.355 1.721 20 5 CDBDMO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000610187374 357490204 /nfs/dbraw/zinc/49/02/04/357490204.db2.gz AZKFWUQYHSZTRI-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000264660159 357750779 /nfs/dbraw/zinc/75/07/79/357750779.db2.gz SQRHXEXOWFWZAT-NSHDSACASA-N 1 1 289.335 1.809 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294694614 199137436 /nfs/dbraw/zinc/13/74/36/199137436.db2.gz AKBPHXRJQZUTIM-CQSZACIVSA-N 1 1 295.314 1.297 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192495571 358208919 /nfs/dbraw/zinc/20/89/19/358208919.db2.gz ZURLJSUXKOJDSA-AOOOYVTPSA-N 1 1 281.337 1.290 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595403535 358644754 /nfs/dbraw/zinc/64/47/54/358644754.db2.gz CNMLKPXCYCHULH-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000341702436 358791900 /nfs/dbraw/zinc/79/19/00/358791900.db2.gz XDLXDPKQLCCHSH-AAEUAGOBSA-N 1 1 291.351 1.751 20 5 CDBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000051477216 358833977 /nfs/dbraw/zinc/83/39/77/358833977.db2.gz XDRNIRPJYDVBBD-UHFFFAOYSA-N 1 1 281.312 1.169 20 5 CDBDMO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342433747 359051847 /nfs/dbraw/zinc/05/18/47/359051847.db2.gz UTOHPGSWNQFPMS-ONGXEEELSA-N 1 1 284.337 1.118 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000048346867 359201224 /nfs/dbraw/zinc/20/12/24/359201224.db2.gz PQVXAQNNIRAZID-AWEZNQCLSA-N 1 1 264.325 1.984 20 5 CDBDMO O=C1NCCC[C@@H]1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569806869 359263684 /nfs/dbraw/zinc/26/36/84/359263684.db2.gz IGBGZVSWKBHWGS-GFCCVEGCSA-N 1 1 289.335 1.479 20 5 CDBDMO COCCCOCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339063207 359282634 /nfs/dbraw/zinc/28/26/34/359282634.db2.gz VKNROJVWVRSJJT-UHFFFAOYSA-N 1 1 298.339 1.785 20 5 CDBDMO C[N@@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000347403499 359349988 /nfs/dbraw/zinc/34/99/88/359349988.db2.gz WBKDHGPLJOROHW-UHFFFAOYSA-N 1 1 287.323 1.466 20 5 CDBDMO Cc1nn(C)c(NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000114709002 359494434 /nfs/dbraw/zinc/49/44/34/359494434.db2.gz CWDMPEKXMDFXCI-SECBINFHSA-N 1 1 253.306 1.143 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000408461716 359803744 /nfs/dbraw/zinc/80/37/44/359803744.db2.gz BBYCPHRZNCYWPH-PWSUYJOCSA-N 1 1 291.307 1.077 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548085121 360092973 /nfs/dbraw/zinc/09/29/73/360092973.db2.gz DVJSNUAXHSXIQK-JTQLQIEISA-N 1 1 295.343 1.168 20 5 CDBDMO Cc1cc(OCc2nc(C[NH3+])no2)ccc1[N+](=O)[O-] ZINC000514937027 360789008 /nfs/dbraw/zinc/78/90/08/360789008.db2.gz DPCNHRQWYRRGOW-UHFFFAOYSA-N 1 1 264.241 1.324 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CO)C3)nc2c1 ZINC000267560360 361051212 /nfs/dbraw/zinc/05/12/12/361051212.db2.gz HBCRICVIRZZBGE-SNVBAGLBSA-N 1 1 291.307 1.940 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CO)C3)nc2c1 ZINC000267560360 361051217 /nfs/dbraw/zinc/05/12/17/361051217.db2.gz HBCRICVIRZZBGE-SNVBAGLBSA-N 1 1 291.307 1.940 20 5 CDBDMO CO[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267611922 361227924 /nfs/dbraw/zinc/22/79/24/361227924.db2.gz BKLSMRIPAMEJOC-JSGCOSHPSA-N 1 1 296.323 1.055 20 5 CDBDMO Cn1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000345616675 361264785 /nfs/dbraw/zinc/26/47/85/361264785.db2.gz HCMDIMYFRAWLLW-JTQLQIEISA-N 1 1 292.339 1.147 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914504 363946490 /nfs/dbraw/zinc/94/64/90/363946490.db2.gz RWSAKWUNSXXSCG-AAEUAGOBSA-N 1 1 280.324 1.819 20 5 CDBDMO COC(=O)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413492145 364068318 /nfs/dbraw/zinc/06/83/18/364068318.db2.gz CJTZCAWDVNCWEV-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000290242420 365042144 /nfs/dbraw/zinc/04/21/44/365042144.db2.gz ZEEMWTLLOSXRDC-JQWIXIFHSA-N 1 1 286.715 1.752 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871994 366940029 /nfs/dbraw/zinc/94/00/29/366940029.db2.gz JIBJUMBNILWFCC-DGCLKSJQSA-N 1 1 250.298 1.798 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000386324502 366969660 /nfs/dbraw/zinc/96/96/60/366969660.db2.gz UOXGOCPQJPLTKL-GHMZBOCLSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414802769 241396500 /nfs/dbraw/zinc/39/65/00/241396500.db2.gz VWZZGSGKLJLNGS-VXGBXAGGSA-N 1 1 279.340 1.820 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272539888 367750996 /nfs/dbraw/zinc/75/09/96/367750996.db2.gz XTJAQWSYXXMTKM-SECBINFHSA-N 1 1 278.312 1.001 20 5 CDBDMO COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330617372 203044979 /nfs/dbraw/zinc/04/49/79/203044979.db2.gz WLHAINLATCFZGB-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000170769920 368989168 /nfs/dbraw/zinc/98/91/68/368989168.db2.gz ROKCRXOBBNTDGV-JTQLQIEISA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000170769920 368989172 /nfs/dbraw/zinc/98/91/72/368989172.db2.gz ROKCRXOBBNTDGV-JTQLQIEISA-N 1 1 293.323 1.305 20 5 CDBDMO CC(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075624174 369437463 /nfs/dbraw/zinc/43/74/63/369437463.db2.gz PYKCDUAOLOSRLE-CYBMUJFWSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000330898251 203368173 /nfs/dbraw/zinc/36/81/73/203368173.db2.gz IBTXZQBZDOINAY-BDAKNGLRSA-N 1 1 266.301 1.135 20 5 CDBDMO Cc1cc(NCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000037760132 370078517 /nfs/dbraw/zinc/07/85/17/370078517.db2.gz YUYILZCMAYQRST-UHFFFAOYSA-N 1 1 278.356 1.563 20 5 CDBDMO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414926480 371107094 /nfs/dbraw/zinc/10/70/94/371107094.db2.gz NHCYHWVBVGETMW-VXGBXAGGSA-N 1 1 279.340 1.963 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000266241021 371576310 /nfs/dbraw/zinc/57/63/10/371576310.db2.gz LIGMMBMJCCZDIM-UHFFFAOYSA-N 1 1 291.315 1.364 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914182 372025504 /nfs/dbraw/zinc/02/55/04/372025504.db2.gz MCILQCANJNDOOT-MRVPVSSYSA-N 1 1 269.326 1.338 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2CO)c1 ZINC000269638120 373241637 /nfs/dbraw/zinc/24/16/37/373241637.db2.gz IECOTFYYDJRBAZ-QWHCGFSZSA-N 1 1 266.297 1.085 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1Cl ZINC000368330229 373301990 /nfs/dbraw/zinc/30/19/90/373301990.db2.gz DMIDTYPOHJDGBK-URLYPYJESA-N 1 1 282.727 1.918 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1Cl ZINC000368330229 373301994 /nfs/dbraw/zinc/30/19/94/373301994.db2.gz DMIDTYPOHJDGBK-URLYPYJESA-N 1 1 282.727 1.918 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000123180915 373987722 /nfs/dbraw/zinc/98/77/22/373987722.db2.gz FPSWUWGZTQZCQT-GFCCVEGCSA-N 1 1 291.351 1.975 20 5 CDBDMO CC[N@@H+](CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000266594441 374179248 /nfs/dbraw/zinc/17/92/48/374179248.db2.gz VAPYFLUJIPYESG-UHFFFAOYSA-N 1 1 268.313 1.678 20 5 CDBDMO C[C@@H]1[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCC12CCOCC2 ZINC000368834066 374331987 /nfs/dbraw/zinc/33/19/87/374331987.db2.gz MDJRNTFPPDYGRK-LBPRGKRZSA-N 1 1 294.355 1.682 20 5 CDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000369603549 374357880 /nfs/dbraw/zinc/35/78/80/374357880.db2.gz MGFPNLDQOFWXAP-CHWSQXEVSA-N 1 1 275.308 1.305 20 5 CDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000369603549 374357883 /nfs/dbraw/zinc/35/78/83/374357883.db2.gz MGFPNLDQOFWXAP-CHWSQXEVSA-N 1 1 275.308 1.305 20 5 CDBDMO CCOCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000093311918 374741174 /nfs/dbraw/zinc/74/11/74/374741174.db2.gz OOTDWUWJOVXZDQ-CYBMUJFWSA-N 1 1 298.339 1.303 20 5 CDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000280325083 374991895 /nfs/dbraw/zinc/99/18/95/374991895.db2.gz UWHBBMVZFWIRGO-UHFFFAOYSA-N 1 1 291.307 1.292 20 5 CDBDMO O=C(NCCN1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000280325083 374991899 /nfs/dbraw/zinc/99/18/99/374991899.db2.gz UWHBBMVZFWIRGO-UHFFFAOYSA-N 1 1 291.307 1.292 20 5 CDBDMO CC1=C(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000280488708 374998239 /nfs/dbraw/zinc/99/82/39/374998239.db2.gz BAIQFYAOXPAZQH-ZDUSSCGKSA-N 1 1 280.328 1.194 20 5 CDBDMO CCOCC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495910 375090422 /nfs/dbraw/zinc/09/04/22/375090422.db2.gz QIJXPJFZPYRWPS-OAHLLOKOSA-N 1 1 296.367 1.857 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1 ZINC000282556042 375093642 /nfs/dbraw/zinc/09/36/42/375093642.db2.gz XTILEFZPWSBKPY-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1 ZINC000282556042 375093648 /nfs/dbraw/zinc/09/36/48/375093648.db2.gz XTILEFZPWSBKPY-UHFFFAOYSA-N 1 1 277.324 1.348 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000351491339 375302531 /nfs/dbraw/zinc/30/25/31/375302531.db2.gz JOLNWLKSDYVIPR-TUKIKUTGSA-N 1 1 291.351 1.643 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351780346 375328478 /nfs/dbraw/zinc/32/84/78/375328478.db2.gz MDPOQSQIYVHWAE-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351780346 375328481 /nfs/dbraw/zinc/32/84/81/375328481.db2.gz MDPOQSQIYVHWAE-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C=O)CC1 ZINC000294176562 375723028 /nfs/dbraw/zinc/72/30/28/375723028.db2.gz JTLMWGPXBHAONV-GFCCVEGCSA-N 1 1 277.324 1.820 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C=O)CC1 ZINC000294176562 375723037 /nfs/dbraw/zinc/72/30/37/375723037.db2.gz JTLMWGPXBHAONV-GFCCVEGCSA-N 1 1 277.324 1.820 20 5 CDBDMO Cc1nc(NCCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000133788708 375833094 /nfs/dbraw/zinc/83/30/94/375833094.db2.gz TYUDQWBZPMFACE-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO CNc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000058954762 375848900 /nfs/dbraw/zinc/84/89/00/375848900.db2.gz GKJGOVXNSGFZPJ-UHFFFAOYSA-N 1 1 292.339 1.461 20 5 CDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000059391884 377045043 /nfs/dbraw/zinc/04/50/43/377045043.db2.gz NYSJHZRSPPVUFN-NSHDSACASA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000059391884 377045049 /nfs/dbraw/zinc/04/50/49/377045049.db2.gz NYSJHZRSPPVUFN-NSHDSACASA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000385671947 377844508 /nfs/dbraw/zinc/84/45/08/377844508.db2.gz HPXUCFDNXBFCGN-JQWIXIFHSA-N 1 1 250.298 1.798 20 5 CDBDMO Cc1cccc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000218853345 377846589 /nfs/dbraw/zinc/84/65/89/377846589.db2.gz MJLIVNUCEGYLGZ-GFCCVEGCSA-N 1 1 278.356 1.561 20 5 CDBDMO Cc1cc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(C)[nH+]1 ZINC000443968757 250067519 /nfs/dbraw/zinc/06/75/19/250067519.db2.gz XFGLUMPMLSDGKH-UHFFFAOYSA-N 1 1 298.306 1.912 20 5 CDBDMO C[C@@H](C(N)=O)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243584 379412602 /nfs/dbraw/zinc/41/26/02/379412602.db2.gz VUGDBBMZICFYQO-JTQLQIEISA-N 1 1 293.323 1.312 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000450226165 251181173 /nfs/dbraw/zinc/18/11/73/251181173.db2.gz JYMLLFXNITZSJD-GFCCVEGCSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000450226165 251181177 /nfs/dbraw/zinc/18/11/77/251181177.db2.gz JYMLLFXNITZSJD-GFCCVEGCSA-N 1 1 266.297 1.442 20 5 CDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000450303478 251215727 /nfs/dbraw/zinc/21/57/27/251215727.db2.gz JKZPLEWSLGUFOB-UHFFFAOYSA-N 1 1 267.333 1.257 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450289591 251210581 /nfs/dbraw/zinc/21/05/81/251210581.db2.gz PBSVWWFKNJFXBJ-NSHDSACASA-N 1 1 279.344 1.259 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC000450597189 251357523 /nfs/dbraw/zinc/35/75/23/251357523.db2.gz OUXCTRZGHDYJNE-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491863465 253107083 /nfs/dbraw/zinc/10/70/83/253107083.db2.gz CJGZBZJBSVTGHS-HSBSLETESA-N 1 1 289.335 1.818 20 5 CDBDMO Cc1nc(N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420636325 390588567 /nfs/dbraw/zinc/58/85/67/390588567.db2.gz NAZXOKKVXOAHEV-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451286141 390609968 /nfs/dbraw/zinc/60/99/68/390609968.db2.gz NIWLOOQNSTZOQS-GFCCVEGCSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451286141 390609972 /nfs/dbraw/zinc/60/99/72/390609972.db2.gz NIWLOOQNSTZOQS-GFCCVEGCSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[C@@]1(CO)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581412 390859049 /nfs/dbraw/zinc/85/90/49/390859049.db2.gz CJDOAODOYIVGCW-CYBMUJFWSA-N 1 1 282.344 1.276 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000452121337 391067610 /nfs/dbraw/zinc/06/76/10/391067610.db2.gz SPDPDTYRXRRORJ-GFCCVEGCSA-N 1 1 281.360 1.206 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114715 391161250 /nfs/dbraw/zinc/16/12/50/391161250.db2.gz FHZKZAZQBWGEMP-QMMMGPOBSA-N 1 1 254.265 1.493 20 5 CDBDMO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000413256244 391186589 /nfs/dbraw/zinc/18/65/89/391186589.db2.gz BUUAZTFPVTVFSC-GFCCVEGCSA-N 1 1 282.319 1.905 20 5 CDBDMO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C1 ZINC000344417875 391698482 /nfs/dbraw/zinc/69/84/82/391698482.db2.gz IBEXJBSUPKKJLS-UWVGGRQHSA-N 1 1 281.312 1.743 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191733029 130290039 /nfs/dbraw/zinc/29/00/39/130290039.db2.gz DDOBPDXNGPJMIM-PWSUYJOCSA-N 1 1 250.298 1.655 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186806499 391829968 /nfs/dbraw/zinc/82/99/68/391829968.db2.gz SDEQPUQBKKYZFI-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186806499 391829969 /nfs/dbraw/zinc/82/99/69/391829969.db2.gz SDEQPUQBKKYZFI-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000487122180 391991594 /nfs/dbraw/zinc/99/15/94/391991594.db2.gz UVRNWOIBALKVBU-NSHDSACASA-N 1 1 265.317 1.161 20 5 CDBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248962002 131120118 /nfs/dbraw/zinc/12/01/18/131120118.db2.gz RCWCPIRHAWWVRJ-FZMZJTMJSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790028 392727995 /nfs/dbraw/zinc/72/79/95/392727995.db2.gz WCJIFOSCRSGLIR-VXGBXAGGSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000267820047 131921415 /nfs/dbraw/zinc/92/14/15/131921415.db2.gz XOOOLOSUMPSFSC-SNVBAGLBSA-N 1 1 275.312 1.883 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420583779 392919284 /nfs/dbraw/zinc/91/92/84/392919284.db2.gz LAKCICJQCITPJM-SNVBAGLBSA-N 1 1 294.355 1.836 20 5 CDBDMO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)ccc1[N+](=O)[O-] ZINC000269461747 132174131 /nfs/dbraw/zinc/17/41/31/132174131.db2.gz HDFINVIWGBJKDZ-ZDUSSCGKSA-N 1 1 276.340 1.315 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000272190777 393013328 /nfs/dbraw/zinc/01/33/28/393013328.db2.gz MHOYBHZSEGEQHT-JQWIXIFHSA-N 1 1 262.313 1.520 20 5 CDBDMO [NH3+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430606699 393103212 /nfs/dbraw/zinc/10/32/12/393103212.db2.gz ADVCZOOFIVSHQC-UHFFFAOYSA-N 1 1 292.339 1.347 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000081527266 393064556 /nfs/dbraw/zinc/06/45/56/393064556.db2.gz LKVLBWRSQHHVAC-SNVBAGLBSA-N 1 1 295.339 1.417 20 5 CDBDMO CC(C)(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC000081625442 393067809 /nfs/dbraw/zinc/06/78/09/393067809.db2.gz UAKFDGZMNVMAFD-LLVKDONJSA-N 1 1 265.313 1.584 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000302155422 393197223 /nfs/dbraw/zinc/19/72/23/393197223.db2.gz MKCHSKWJSGGQNY-NSHDSACASA-N 1 1 265.317 1.161 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351943446 393207457 /nfs/dbraw/zinc/20/74/57/393207457.db2.gz GEPWLQBVVBACJQ-BREBYQMCSA-N 1 1 250.298 1.968 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000352407666 155167497 /nfs/dbraw/zinc/16/74/97/155167497.db2.gz RMRIBRCTWLNLTA-DTWKUNHWSA-N 1 1 286.278 1.933 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1CO ZINC000352407666 155167501 /nfs/dbraw/zinc/16/75/01/155167501.db2.gz RMRIBRCTWLNLTA-DTWKUNHWSA-N 1 1 286.278 1.933 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000343082023 152025157 /nfs/dbraw/zinc/02/51/57/152025157.db2.gz WBZLLASSTRUARF-GHMZBOCLSA-N 1 1 294.355 1.773 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604885 152241135 /nfs/dbraw/zinc/24/11/35/152241135.db2.gz NYINBAOQLJUXJO-KOLCDFICSA-N 1 1 281.360 1.785 20 5 CDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CC3(O)CCC3)C2)cc1 ZINC000347048159 153393220 /nfs/dbraw/zinc/39/32/20/153393220.db2.gz CNCOEOAXDBSPBB-UHFFFAOYSA-N 1 1 278.308 1.573 20 5 CDBDMO CCCC[N@H+](CCOC)Cc1c([N+](=O)[O-])ncn1C ZINC000355927432 157287798 /nfs/dbraw/zinc/28/77/98/157287798.db2.gz IGOUXBJVVBWCET-UHFFFAOYSA-N 1 1 270.333 1.577 20 5 CDBDMO CCCC[N@@H+](CCOC)Cc1c([N+](=O)[O-])ncn1C ZINC000355927432 157287802 /nfs/dbraw/zinc/28/78/02/157287802.db2.gz IGOUXBJVVBWCET-UHFFFAOYSA-N 1 1 270.333 1.577 20 5 CDBDMO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356453664 157483542 /nfs/dbraw/zinc/48/35/42/157483542.db2.gz CLDNNXJOZXFHTH-JTQLQIEISA-N 1 1 295.339 1.761 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359809531 158385255 /nfs/dbraw/zinc/38/52/55/158385255.db2.gz OJKXYOLOGFPVFW-CQSZACIVSA-N 1 1 296.323 1.057 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000363618958 159334180 /nfs/dbraw/zinc/33/41/80/159334180.db2.gz GBIKYIODKKXGMD-STQMWFEESA-N 1 1 289.335 1.951 20 5 CDBDMO O=C1OC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000363867634 159348620 /nfs/dbraw/zinc/34/86/20/159348620.db2.gz WOCQBTKJOXVBGK-ZDUSSCGKSA-N 1 1 291.307 1.274 20 5 CDBDMO O=C1OC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000363867634 159348622 /nfs/dbraw/zinc/34/86/22/159348622.db2.gz WOCQBTKJOXVBGK-ZDUSSCGKSA-N 1 1 291.307 1.274 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000007782174 170302477 /nfs/dbraw/zinc/30/24/77/170302477.db2.gz PHRPBVQBPDXVGX-NSHDSACASA-N 1 1 292.339 1.169 20 5 CDBDMO CCOc1cc(C[N@@H+](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000284941485 196160440 /nfs/dbraw/zinc/16/04/40/196160440.db2.gz WQFIJQGDHXWKGA-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000285016085 196178166 /nfs/dbraw/zinc/17/81/66/196178166.db2.gz ZKOWXRBNKOVXMW-GJZGRUSLSA-N 1 1 291.351 1.500 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079124 260151466 /nfs/dbraw/zinc/15/14/66/260151466.db2.gz WKAIVEBDCJGETJ-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000514580992 266004127 /nfs/dbraw/zinc/00/41/27/266004127.db2.gz GUNCDEFJLKWOJY-NXEZZACHSA-N 1 1 279.344 1.612 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000521101449 270546290 /nfs/dbraw/zinc/54/62/90/270546290.db2.gz LFTIQGQJENERDJ-RYUDHWBXSA-N 1 1 293.371 1.650 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278758464 277199076 /nfs/dbraw/zinc/19/90/76/277199076.db2.gz NIPLOCDMAYYMJX-AOOOYVTPSA-N 1 1 265.288 1.732 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000226775133 280102114 /nfs/dbraw/zinc/10/21/14/280102114.db2.gz QGPLRCWKRCOMGW-SFYZADRCSA-N 1 1 256.331 1.946 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000518241453 281016895 /nfs/dbraw/zinc/01/68/95/281016895.db2.gz VUBVCBIGJBKMNI-VXGBXAGGSA-N 1 1 292.339 1.290 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000551981887 290036340 /nfs/dbraw/zinc/03/63/40/290036340.db2.gz RGODCTFQNPZOMF-UHFFFAOYSA-N 1 1 295.343 1.264 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(C)CO ZINC000571210948 294389963 /nfs/dbraw/zinc/38/99/63/294389963.db2.gz RNCPMIZXRCMTMN-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO Cc1ccnc(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302527087 302272296 /nfs/dbraw/zinc/27/22/96/302272296.db2.gz KKZJLBUEMGXCKY-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1ccnc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302527087 302272298 /nfs/dbraw/zinc/27/22/98/302272298.db2.gz KKZJLBUEMGXCKY-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO COc1ccc(NC(=O)Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000029937705 327051686 /nfs/dbraw/zinc/05/16/86/327051686.db2.gz IOTNZYDUVWTFBI-UHFFFAOYSA-N 1 1 290.279 1.747 20 5 CDBDMO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184679543 522738831 /nfs/dbraw/zinc/73/88/31/522738831.db2.gz MOKZNJQBJAMQJN-LBPRGKRZSA-N 1 1 294.311 1.670 20 5 CDBDMO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506536 /nfs/dbraw/zinc/50/65/36/525506536.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506538 /nfs/dbraw/zinc/50/65/38/525506538.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 1 1 292.383 1.491 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C(F)(F)F)C2)n1 ZINC000761058867 576539109 /nfs/dbraw/zinc/53/91/09/576539109.db2.gz UKLPHXPLOMXQDN-MRVPVSSYSA-N 1 1 278.234 1.676 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000749255476 576941154 /nfs/dbraw/zinc/94/11/54/576941154.db2.gz CAPAGYVJVQHQRC-LLVKDONJSA-N 1 1 291.351 1.608 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000749255476 576941156 /nfs/dbraw/zinc/94/11/56/576941156.db2.gz CAPAGYVJVQHQRC-LLVKDONJSA-N 1 1 291.351 1.608 20 5 CDBDMO COCCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749948212 576969528 /nfs/dbraw/zinc/96/95/28/576969528.db2.gz VUHHQONRPSALDK-UHFFFAOYSA-N 1 1 293.327 1.574 20 5 CDBDMO CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000950056139 614553495 /nfs/dbraw/zinc/55/34/95/614553495.db2.gz UNJCCIOMASXKJA-ZIAGYGMSSA-N 1 1 297.399 1.621 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000892119905 617492064 /nfs/dbraw/zinc/49/20/64/617492064.db2.gz HVRDNCUZPWCNFX-LLVKDONJSA-N 1 1 281.360 1.861 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000892555158 617500718 /nfs/dbraw/zinc/50/07/18/617500718.db2.gz QVMJYPUQRBSYJN-LLVKDONJSA-N 1 1 294.355 1.776 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000893871298 618113375 /nfs/dbraw/zinc/11/33/75/618113375.db2.gz JENKVCTWVWDNLF-PODYEWJSSA-N 1 1 289.335 1.818 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893935603 618195541 /nfs/dbraw/zinc/19/55/41/618195541.db2.gz RDJJWBKWVWSIHN-LDYMZIIASA-N 1 1 266.276 1.269 20 5 CDBDMO Cc1cc(N2CC[C@H]3C[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000893940333 618203463 /nfs/dbraw/zinc/20/34/63/618203463.db2.gz MVXLZKUUIRJNAO-CMPLNLGQSA-N 1 1 262.313 1.439 20 5 CDBDMO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000895801499 619851418 /nfs/dbraw/zinc/85/14/18/619851418.db2.gz JIAJLEDLGZEOLS-LBPRGKRZSA-N 1 1 294.355 1.700 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000800861553 620889690 /nfs/dbraw/zinc/88/96/90/620889690.db2.gz SVPICLRSNHSJPT-SNVBAGLBSA-N 1 1 264.329 1.707 20 5 CDBDMO COc1ccc(Br)cc1C[NH2+]CC[N+](=O)[O-] ZINC000905077548 626392463 /nfs/dbraw/zinc/39/24/63/626392463.db2.gz ZZWFQYQLGYBZTA-UHFFFAOYSA-N 1 1 289.129 1.824 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000905199978 626688005 /nfs/dbraw/zinc/68/80/05/626688005.db2.gz JEFHVHPKUHMVHS-NSHDSACASA-N 1 1 254.261 1.906 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000905695247 626941937 /nfs/dbraw/zinc/94/19/37/626941937.db2.gz MEPSEIVLJCSWTP-LLVKDONJSA-N 1 1 296.327 1.060 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000905695247 626941939 /nfs/dbraw/zinc/94/19/39/626941939.db2.gz MEPSEIVLJCSWTP-LLVKDONJSA-N 1 1 296.327 1.060 20 5 CDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000793572275 1162434056 /nfs/dbraw/zinc/43/40/56/1162434056.db2.gz JTTJULUVRHVKFH-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000793572275 1162434060 /nfs/dbraw/zinc/43/40/60/1162434060.db2.gz JTTJULUVRHVKFH-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)CCCCCC[NH3+])c1[N+](=O)[O-] ZINC001578243638 1171849204 /nfs/dbraw/zinc/84/92/04/1171849204.db2.gz UISVBUFKFYGUET-UHFFFAOYSA-N 1 1 297.359 1.471 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000313029789 705307952 /nfs/dbraw/zinc/30/79/52/705307952.db2.gz DSWHEDIEZYZBEZ-NSHDSACASA-N 1 1 286.303 1.814 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(CO)CC1 ZINC000885953934 705440656 /nfs/dbraw/zinc/44/06/56/705440656.db2.gz JTSRVSNMHBEAJU-UHFFFAOYSA-N 1 1 251.286 1.194 20 5 CDBDMO CCc1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)co1 ZINC000819353171 705490341 /nfs/dbraw/zinc/49/03/41/705490341.db2.gz AEPDUWWWHBBQIF-CYBMUJFWSA-N 1 1 291.307 1.968 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000930066324 705700865 /nfs/dbraw/zinc/70/08/65/705700865.db2.gz DSGIFSRXHDTYCP-KGLIPLIRSA-N 1 1 282.315 1.990 20 5 CDBDMO CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000149518 705747905 /nfs/dbraw/zinc/74/79/05/705747905.db2.gz MMRFUVREHXVNNT-VXGBXAGGSA-N 1 1 281.356 1.032 20 5 CDBDMO CC(=O)c1c(N(C)CC2C[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000882616330 705779227 /nfs/dbraw/zinc/77/92/27/705779227.db2.gz KAJPQDOLEMYCDO-UHFFFAOYSA-N 1 1 277.324 1.795 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591496 705866271 /nfs/dbraw/zinc/86/62/71/705866271.db2.gz QYHWMUIILAFTMU-UONOGXRCSA-N 1 1 294.351 1.864 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000790452572 705874394 /nfs/dbraw/zinc/87/43/94/705874394.db2.gz QXIFYILETMBJJI-QWHCGFSZSA-N 1 1 280.324 1.331 20 5 CDBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ncn(C)n1 ZINC000866312331 706124294 /nfs/dbraw/zinc/12/42/94/706124294.db2.gz SRSDJTSPWCLETO-VIFPVBQESA-N 1 1 293.302 1.583 20 5 CDBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930445847 706195807 /nfs/dbraw/zinc/19/58/07/706195807.db2.gz JYRLADITHYPZTG-LBPRGKRZSA-N 1 1 287.360 1.644 20 5 CDBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930445847 706195813 /nfs/dbraw/zinc/19/58/13/706195813.db2.gz JYRLADITHYPZTG-LBPRGKRZSA-N 1 1 287.360 1.644 20 5 CDBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930503713 709503596 /nfs/dbraw/zinc/50/35/96/709503596.db2.gz WMIKVPFSWFRBLG-UHFFFAOYSA-N 1 1 250.298 1.936 20 5 CDBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930503713 709503608 /nfs/dbraw/zinc/50/36/08/709503608.db2.gz WMIKVPFSWFRBLG-UHFFFAOYSA-N 1 1 250.298 1.936 20 5 CDBDMO CC[C@@H](O)C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930056887 709574217 /nfs/dbraw/zinc/57/42/17/709574217.db2.gz KALDKYGCIKPCTQ-CYBMUJFWSA-N 1 1 252.314 1.536 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063311 709689323 /nfs/dbraw/zinc/68/93/23/709689323.db2.gz JYGRLSPCUOYJDX-NWDGAFQWSA-N 1 1 285.388 1.621 20 5 CDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839687124 709716668 /nfs/dbraw/zinc/71/66/68/709716668.db2.gz WCDPRHBSRWKXOE-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839687124 709716681 /nfs/dbraw/zinc/71/66/81/709716681.db2.gz WCDPRHBSRWKXOE-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839687124 709716689 /nfs/dbraw/zinc/71/66/89/709716689.db2.gz WCDPRHBSRWKXOE-ZIAGYGMSSA-N 1 1 297.399 1.622 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959733 709899673 /nfs/dbraw/zinc/89/96/73/709899673.db2.gz OLMRTWTUPHPXMA-SECBINFHSA-N 1 1 294.311 1.283 20 5 CDBDMO CCn1cnnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818962118 710047821 /nfs/dbraw/zinc/04/78/21/710047821.db2.gz YRXRCQNUFVPRTL-GFCCVEGCSA-N 1 1 291.311 1.029 20 5 CDBDMO C[C@H](O)[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852136 710227608 /nfs/dbraw/zinc/22/76/08/710227608.db2.gz FWJQEJHRDDGUCQ-HZMBPMFUSA-N 1 1 280.324 1.301 20 5 CDBDMO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775087779 710227879 /nfs/dbraw/zinc/22/78/79/710227879.db2.gz DATDCOMTHLAXFZ-CYBMUJFWSA-N 1 1 295.295 1.850 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000775087779 710227882 /nfs/dbraw/zinc/22/78/82/710227882.db2.gz DATDCOMTHLAXFZ-CYBMUJFWSA-N 1 1 295.295 1.850 20 5 CDBDMO [NH3+]CC[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886838138 710235737 /nfs/dbraw/zinc/23/57/37/710235737.db2.gz RPRMMNALGSOKIW-NSHDSACASA-N 1 1 264.329 1.551 20 5 CDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000882489130 710534469 /nfs/dbraw/zinc/53/44/69/710534469.db2.gz MIELDGQRDOKZPF-QMMMGPOBSA-N 1 1 299.277 1.697 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000882489130 710534473 /nfs/dbraw/zinc/53/44/73/710534473.db2.gz MIELDGQRDOKZPF-QMMMGPOBSA-N 1 1 299.277 1.697 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967726 710579598 /nfs/dbraw/zinc/57/95/98/710579598.db2.gz XEMLCSHPEWUWLY-LBPRGKRZSA-N 1 1 292.339 1.338 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885967726 710579601 /nfs/dbraw/zinc/57/96/01/710579601.db2.gz XEMLCSHPEWUWLY-LBPRGKRZSA-N 1 1 292.339 1.338 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000856073737 710689771 /nfs/dbraw/zinc/68/97/71/710689771.db2.gz WITWYHSBUQPYHO-LLVKDONJSA-N 1 1 271.361 1.422 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000885983805 710727097 /nfs/dbraw/zinc/72/70/97/710727097.db2.gz PVLUKBUFMBEUKZ-GFCCVEGCSA-N 1 1 293.323 1.575 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000780630931 711528569 /nfs/dbraw/zinc/52/85/69/711528569.db2.gz XDQNRXNOYGRNAS-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000780630931 711528573 /nfs/dbraw/zinc/52/85/73/711528573.db2.gz XDQNRXNOYGRNAS-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000718991232 711574375 /nfs/dbraw/zinc/57/43/75/711574375.db2.gz ZWMBQTYGFWIGJT-NSHDSACASA-N 1 1 296.298 1.929 20 5 CDBDMO CNC(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000887084978 711718456 /nfs/dbraw/zinc/71/84/56/711718456.db2.gz YTPMRQRDLINKPT-UHFFFAOYSA-N 1 1 299.352 1.041 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826063312 711763423 /nfs/dbraw/zinc/76/34/23/711763423.db2.gz JYGRLSPCUOYJDX-RYUDHWBXSA-N 1 1 285.388 1.621 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582229 711766802 /nfs/dbraw/zinc/76/68/02/711766802.db2.gz MQTBNZMVRAEEBA-STQMWFEESA-N 1 1 266.297 1.349 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1COCCO1 ZINC000852495608 711823885 /nfs/dbraw/zinc/82/38/85/711823885.db2.gz LKHHZEVDVACNOI-LLVKDONJSA-N 1 1 284.287 1.581 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1COCCO1 ZINC000852495608 711823886 /nfs/dbraw/zinc/82/38/86/711823886.db2.gz LKHHZEVDVACNOI-LLVKDONJSA-N 1 1 284.287 1.581 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164629415 719153688 /nfs/dbraw/zinc/15/36/88/719153688.db2.gz ASMNMVPDCMYWHE-GHMZBOCLSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001164664976 719386101 /nfs/dbraw/zinc/38/61/01/719386101.db2.gz DFPGDJFSTOSHHP-VHSXEESVSA-N 1 1 298.730 1.162 20 5 CDBDMO N[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC001580132441 1167711558 /nfs/dbraw/zinc/71/15/58/1167711558.db2.gz PAYKFHGFNFDRQR-VIFPVBQESA-N 1 1 289.282 1.546 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CO ZINC001173221755 912307380 /nfs/dbraw/zinc/30/73/80/912307380.db2.gz LUHRQYXRGLOQCI-BXUZGUMPSA-N 1 1 264.325 1.983 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229889 912319518 /nfs/dbraw/zinc/31/95/18/912319518.db2.gz BNYQIBIQZNHWQG-BXUZGUMPSA-N 1 1 291.351 1.736 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634669 903458255 /nfs/dbraw/zinc/45/82/55/903458255.db2.gz LLDJLJBKPWOHFZ-LLVKDONJSA-N 1 1 267.285 1.089 20 5 CDBDMO CC[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109072 909165373 /nfs/dbraw/zinc/16/53/73/909165373.db2.gz MXOOLHGPRQCJII-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC ZINC000697921950 909599306 /nfs/dbraw/zinc/59/93/06/909599306.db2.gz XZTRHVUHCBFSHI-JTQLQIEISA-N 1 1 285.731 1.862 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC001169006397 927610746 /nfs/dbraw/zinc/61/07/46/927610746.db2.gz HRRNIRPOIGNADV-HIFRSBDPSA-N 1 1 281.400 1.992 20 5 CDBDMO CC(C)[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007120 927611394 /nfs/dbraw/zinc/61/13/94/927611394.db2.gz LIFHQXCXZXYBQA-STQMWFEESA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC001169013818 927619725 /nfs/dbraw/zinc/61/97/25/927619725.db2.gz WNGPAPGEACYJSZ-OUAUKWLOSA-N 1 1 296.289 1.679 20 5 CDBDMO COC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013108 927620028 /nfs/dbraw/zinc/62/00/28/927620028.db2.gz TZWMYADQQYVCQV-TUAOUCFPSA-N 1 1 270.329 1.459 20 5 CDBDMO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168988355 927624897 /nfs/dbraw/zinc/62/48/97/927624897.db2.gz RFJIARQKNWRUEU-UMSGYPCISA-N 1 1 286.372 1.999 20 5 CDBDMO C[N@H+](CCCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028954 927634629 /nfs/dbraw/zinc/63/46/29/927634629.db2.gz SZENSIUXTFWQBQ-KGLIPLIRSA-N 1 1 269.389 1.850 20 5 CDBDMO C[N@@H+](CCCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028954 927634637 /nfs/dbraw/zinc/63/46/37/927634637.db2.gz SZENSIUXTFWQBQ-KGLIPLIRSA-N 1 1 269.389 1.850 20 5 CDBDMO COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169033303 927642344 /nfs/dbraw/zinc/64/23/44/927642344.db2.gz BSRCZECEYYJWGV-VOAKCMCISA-N 1 1 284.356 1.705 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)CO3)C1 ZINC001169035175 927643717 /nfs/dbraw/zinc/64/37/17/927643717.db2.gz BBXPRNZFASLMBL-VHSXEESVSA-N 1 1 276.283 1.542 20 5 CDBDMO C[N@@H+](CCN1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039832 927652616 /nfs/dbraw/zinc/65/26/16/927652616.db2.gz UPXPTCALFROYDR-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO CN(CC[NH+]1CCCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039832 927652622 /nfs/dbraw/zinc/65/26/22/927652622.db2.gz UPXPTCALFROYDR-QWHCGFSZSA-N 1 1 255.362 1.459 20 5 CDBDMO CC[N@@H+](CCN1CCOCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039883 927654752 /nfs/dbraw/zinc/65/47/52/927654752.db2.gz VIIGUQZHZDPZDO-KGLIPLIRSA-N 1 1 285.388 1.086 20 5 CDBDMO CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026947 927665938 /nfs/dbraw/zinc/66/59/38/927665938.db2.gz ONXLDMPITKSUJJ-DGCLKSJQSA-N 1 1 256.346 1.933 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169050098 927669907 /nfs/dbraw/zinc/66/99/07/927669907.db2.gz YMHYLTWSUJONCT-AAVRWANBSA-N 1 1 267.373 1.315 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169050098 927669910 /nfs/dbraw/zinc/66/99/10/927669910.db2.gz YMHYLTWSUJONCT-AAVRWANBSA-N 1 1 267.373 1.315 20 5 CDBDMO CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050442 927670164 /nfs/dbraw/zinc/67/01/64/927670164.db2.gz ZQXIUBXMBVJFSL-ZYHUDNBSSA-N 1 1 270.329 1.459 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cccnc3)C2)C1 ZINC001169053906 927671869 /nfs/dbraw/zinc/67/18/69/927671869.db2.gz KFKKIJZEFJABLK-GZBFAFLISA-N 1 1 291.351 1.980 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156649570 928888989 /nfs/dbraw/zinc/88/89/89/928888989.db2.gz YUWBSIHXQOEAOF-BYPYZUCNSA-N 1 1 278.099 1.447 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001170898034 930694339 /nfs/dbraw/zinc/69/43/39/930694339.db2.gz BEFZRRMXTNBEEJ-QMMMGPOBSA-N 1 1 293.249 1.444 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000818972464 930748168 /nfs/dbraw/zinc/74/81/68/930748168.db2.gz WCDUYLKDMOQELY-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000818972464 930748173 /nfs/dbraw/zinc/74/81/73/930748173.db2.gz WCDUYLKDMOQELY-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497405 937633718 /nfs/dbraw/zinc/63/37/18/937633718.db2.gz SOBHTCFHXFLHSV-LBPRGKRZSA-N 1 1 267.285 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497405 937633720 /nfs/dbraw/zinc/63/37/20/937633720.db2.gz SOBHTCFHXFLHSV-LBPRGKRZSA-N 1 1 267.285 1.238 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933910449 933874558 /nfs/dbraw/zinc/87/45/58/933874558.db2.gz YBCDRFAHUQULCF-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933910449 933874565 /nfs/dbraw/zinc/87/45/65/933874565.db2.gz YBCDRFAHUQULCF-CYBMUJFWSA-N 1 1 278.308 1.932 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC001157927819 938564054 /nfs/dbraw/zinc/56/40/54/938564054.db2.gz BKBKLYDLQLVUAF-UHFFFAOYSA-N 1 1 297.278 1.091 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)n1 ZINC001157931580 938565314 /nfs/dbraw/zinc/56/53/14/938565314.db2.gz UAQSTKUCXHVDIP-UHFFFAOYSA-N 1 1 297.278 1.091 20 5 CDBDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158225041 938597334 /nfs/dbraw/zinc/59/73/34/938597334.db2.gz UDTNBQGRIUDOCC-VIFPVBQESA-N 1 1 278.312 1.376 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162688914 939117939 /nfs/dbraw/zinc/11/79/39/939117939.db2.gz WYCUQABBAVLVGW-LBPRGKRZSA-N 1 1 295.339 1.736 20 5 CDBDMO CCOc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162688914 939117941 /nfs/dbraw/zinc/11/79/41/939117941.db2.gz WYCUQABBAVLVGW-LBPRGKRZSA-N 1 1 295.339 1.736 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@H]([NH3+])C1 ZINC001164317903 939453680 /nfs/dbraw/zinc/45/36/80/939453680.db2.gz ZWWQCVUSKIKMTN-SECBINFHSA-N 1 1 272.255 1.471 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166990 941961617 /nfs/dbraw/zinc/96/16/17/941961617.db2.gz BMNLGBYDCWRAQE-NSHDSACASA-N 1 1 293.323 1.557 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226766087 942066075 /nfs/dbraw/zinc/06/60/75/942066075.db2.gz YZAZXOJNDIWHSW-LLVKDONJSA-N 1 1 274.280 1.889 20 5 CDBDMO O=[N+]([O-])c1c[nH]c(O[C@@H]2C[NH+]3CCC2CC3)c2ncnc1-2 ZINC001227690973 942205498 /nfs/dbraw/zinc/20/54/98/942205498.db2.gz LLUGHGOCGSDMIC-SNVBAGLBSA-N 1 1 289.295 1.339 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cnccc2[N+](=O)[O-])C1 ZINC001228882902 942387509 /nfs/dbraw/zinc/38/75/09/942387509.db2.gz SKSXWXJAMYIKNJ-SNVBAGLBSA-N 1 1 267.285 1.089 20 5 CDBDMO O=[N+]([O-])c1ccncc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228883669 942388502 /nfs/dbraw/zinc/38/85/02/942388502.db2.gz XYAOAQMDOXFZSN-SECBINFHSA-N 1 1 260.253 1.580 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451988 942476838 /nfs/dbraw/zinc/47/68/38/942476838.db2.gz LOSVGGGERQSBGG-SNVBAGLBSA-N 1 1 267.285 1.090 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857489 943674387 /nfs/dbraw/zinc/67/43/87/943674387.db2.gz NAPCHQFIVGCCQM-LLVKDONJSA-N 1 1 251.286 1.853 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233860513 943675838 /nfs/dbraw/zinc/67/58/38/943675838.db2.gz ANEFOPSHYLKFBH-SNVBAGLBSA-N 1 1 295.295 1.249 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)n1 ZINC001234877886 943964364 /nfs/dbraw/zinc/96/43/64/943964364.db2.gz DMYKNHYRHYCLTR-JTQLQIEISA-N 1 1 281.312 1.862 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@](C)(O)C1 ZINC001254552605 947520508 /nfs/dbraw/zinc/52/05/08/947520508.db2.gz NJYPLBPYXRUXMQ-DOMZBBRYSA-N 1 1 294.351 1.609 20 5 CDBDMO C[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603639 947552984 /nfs/dbraw/zinc/55/29/84/947552984.db2.gz PFULQCIRBRNEEG-IJEWVQPXSA-N 1 1 287.363 1.555 20 5 CDBDMO C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603639 947552989 /nfs/dbraw/zinc/55/29/89/947552989.db2.gz PFULQCIRBRNEEG-IJEWVQPXSA-N 1 1 287.363 1.555 20 5 CDBDMO CN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603639 947552997 /nfs/dbraw/zinc/55/29/97/947552997.db2.gz PFULQCIRBRNEEG-IJEWVQPXSA-N 1 1 287.363 1.555 20 5 CDBDMO CN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254603639 947553009 /nfs/dbraw/zinc/55/30/09/947553009.db2.gz PFULQCIRBRNEEG-IJEWVQPXSA-N 1 1 287.363 1.555 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1=O ZINC001246295643 948090165 /nfs/dbraw/zinc/09/01/65/948090165.db2.gz URCCWINXHHNVQC-ZWNOBZJWSA-N 1 1 277.324 1.046 20 5 CDBDMO CC(C)[C@@H]1CNCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246695962 948406295 /nfs/dbraw/zinc/40/62/95/948406295.db2.gz OICXXTJPPWYYQN-HOTGVXAUSA-N 1 1 289.379 1.992 20 5 CDBDMO CC(C)[C@@H]1CNCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246695962 948406303 /nfs/dbraw/zinc/40/63/03/948406303.db2.gz OICXXTJPPWYYQN-HOTGVXAUSA-N 1 1 289.379 1.992 20 5 CDBDMO Cc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001251427232 950702459 /nfs/dbraw/zinc/70/24/59/950702459.db2.gz GHJOEBQMFYLIIT-UHFFFAOYSA-N 1 1 295.343 1.183 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001251427232 950702471 /nfs/dbraw/zinc/70/24/71/950702471.db2.gz GHJOEBQMFYLIIT-UHFFFAOYSA-N 1 1 295.343 1.183 20 5 CDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001307884941 956452091 /nfs/dbraw/zinc/45/20/91/956452091.db2.gz WQHMCSTYYBVWGD-FOGDFJRCSA-N 1 1 292.339 1.464 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCn1ncc([N+](=O)[O-])c1N ZINC001334797136 959373058 /nfs/dbraw/zinc/37/30/58/959373058.db2.gz OVQQEBQTRBXMKT-VIFPVBQESA-N 1 1 253.306 1.248 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001335252880 959665072 /nfs/dbraw/zinc/66/50/72/959665072.db2.gz QOACPEWFPCBFGP-CYBMUJFWSA-N 1 1 290.323 1.324 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001336684560 960465335 /nfs/dbraw/zinc/46/53/35/960465335.db2.gz JHIZGMFOCQNGIM-ZJUUUORDSA-N 1 1 265.317 1.367 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001323175997 960504763 /nfs/dbraw/zinc/50/47/63/960504763.db2.gz XSLVUUGPRVSOCY-PHIMTYICSA-N 1 1 262.313 1.296 20 5 CDBDMO Cc1cnc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001323204249 960536422 /nfs/dbraw/zinc/53/64/22/960536422.db2.gz CMADCHXANAQJGL-LBPRGKRZSA-N 1 1 276.340 1.973 20 5 CDBDMO CO[C@@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001352840165 967510846 /nfs/dbraw/zinc/51/08/46/967510846.db2.gz VVZXWVYLSPZPRU-OAHLLOKOSA-N 1 1 292.335 1.758 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCC(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC001353101139 967687273 /nfs/dbraw/zinc/68/72/73/967687273.db2.gz JAQGVZLMLQATMY-CQSZACIVSA-N 1 1 295.314 1.729 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001354266184 968584916 /nfs/dbraw/zinc/58/49/16/968584916.db2.gz HLVQCUJJZUXJOW-OCCSQVGLSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001354266184 968584922 /nfs/dbraw/zinc/58/49/22/968584922.db2.gz HLVQCUJJZUXJOW-OCCSQVGLSA-N 1 1 292.383 1.949 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC[N+](=O)[O-])cc1 ZINC001354403366 968699805 /nfs/dbraw/zinc/69/98/05/968699805.db2.gz ALUAVYPEGSHAJD-LLVKDONJSA-N 1 1 252.314 1.835 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000599202604 343980850 /nfs/dbraw/zinc/98/08/50/343980850.db2.gz QYMAZQAKGATCOK-LBPRGKRZSA-N 1 1 251.286 1.073 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590578148 342577325 /nfs/dbraw/zinc/57/73/25/342577325.db2.gz NPRJVSZQWWRZHJ-SNVBAGLBSA-N 1 1 279.344 1.350 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063318 342614845 /nfs/dbraw/zinc/61/48/45/342614845.db2.gz OVKSQLXRFXXAFT-ZDUSSCGKSA-N 1 1 291.351 1.879 20 5 CDBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593107782 342768972 /nfs/dbraw/zinc/76/89/72/342768972.db2.gz NUMRNVWMVOJEJT-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593107782 342768973 /nfs/dbraw/zinc/76/89/73/342768973.db2.gz NUMRNVWMVOJEJT-SNVBAGLBSA-N 1 1 281.312 1.236 20 5 CDBDMO CC(C)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000593728086 342830109 /nfs/dbraw/zinc/83/01/09/342830109.db2.gz ZLQBRBKZAAFMBW-CYBMUJFWSA-N 1 1 279.340 1.730 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000595351182 343046363 /nfs/dbraw/zinc/04/63/63/343046363.db2.gz FDXMSWWENXNLEN-UHFFFAOYSA-N 1 1 286.303 1.157 20 5 CDBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000595351182 343046365 /nfs/dbraw/zinc/04/63/65/343046365.db2.gz FDXMSWWENXNLEN-UHFFFAOYSA-N 1 1 286.303 1.157 20 5 CDBDMO Cc1noc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595408716 343050938 /nfs/dbraw/zinc/05/09/38/343050938.db2.gz SDTSNUZKQUXVRZ-BDAKNGLRSA-N 1 1 268.317 1.416 20 5 CDBDMO Cc1noc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595466421 343071626 /nfs/dbraw/zinc/07/16/26/343071626.db2.gz KYJFFJHGRHVVPJ-VIFPVBQESA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000595466421 343071627 /nfs/dbraw/zinc/07/16/27/343071627.db2.gz KYJFFJHGRHVVPJ-VIFPVBQESA-N 1 1 283.328 1.874 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595523140 343088789 /nfs/dbraw/zinc/08/87/89/343088789.db2.gz IPKWMRKVPHIPAZ-PSASIEDQSA-N 1 1 269.301 1.748 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000595523140 343088791 /nfs/dbraw/zinc/08/87/91/343088791.db2.gz IPKWMRKVPHIPAZ-PSASIEDQSA-N 1 1 269.301 1.748 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000078022586 342333016 /nfs/dbraw/zinc/33/30/16/342333016.db2.gz WSQDAEQDYITALQ-GFCCVEGCSA-N 1 1 264.329 1.766 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404340 342336779 /nfs/dbraw/zinc/33/67/79/342336779.db2.gz FXLXBKGFXNNLPH-GFCCVEGCSA-N 1 1 292.339 1.148 20 5 CDBDMO O=c1[nH]ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000596107412 343229047 /nfs/dbraw/zinc/22/90/47/343229047.db2.gz IBVHTGOEIHIEPX-VIFPVBQESA-N 1 1 289.295 1.803 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596138242 343241002 /nfs/dbraw/zinc/24/10/02/343241002.db2.gz HDOHWDQHVVFBOY-NSHDSACASA-N 1 1 293.371 1.883 20 5 CDBDMO Cc1cc(CO)cc(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000596138790 343241478 /nfs/dbraw/zinc/24/14/78/343241478.db2.gz OETYZNNVUTZHFV-UHFFFAOYSA-N 1 1 287.319 1.867 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)(CO)CC1 ZINC000597207262 343474890 /nfs/dbraw/zinc/47/48/90/343474890.db2.gz UMTOZIVGNRFVQW-HWKANZROSA-N 1 1 292.335 1.427 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000599175515 343965582 /nfs/dbraw/zinc/96/55/82/343965582.db2.gz DSQJLXISBQDDLN-MRVPVSSYSA-N 1 1 257.315 1.135 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC=CCC1 ZINC000612121911 347031454 /nfs/dbraw/zinc/03/14/54/347031454.db2.gz SYGIZLJQXUDRBZ-GFCCVEGCSA-N 1 1 278.308 1.596 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000051423363 344284088 /nfs/dbraw/zinc/28/40/88/344284088.db2.gz RCFCYZDWLSKIIU-ZDUSSCGKSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccoc1 ZINC000602764994 344572393 /nfs/dbraw/zinc/57/23/93/344572393.db2.gz SOJCOIOOJGPSHM-UHFFFAOYSA-N 1 1 264.285 1.825 20 5 CDBDMO CO[C@]1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658093 344518850 /nfs/dbraw/zinc/51/88/50/344518850.db2.gz JBJCZHYCUKWRQO-HNNXBMFYSA-N 1 1 294.351 1.875 20 5 CDBDMO CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602684080 344530228 /nfs/dbraw/zinc/53/02/28/344530228.db2.gz FNBSWTOMOPDGOB-JQWIXIFHSA-N 1 1 282.344 1.575 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(C(N)=O)CCCC1 ZINC000276349178 529990250 /nfs/dbraw/zinc/99/02/50/529990250.db2.gz VZHTUJAEHHEGOP-UHFFFAOYSA-N 1 1 295.314 1.964 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(C(N)=O)CCCC1 ZINC000276349178 529990251 /nfs/dbraw/zinc/99/02/51/529990251.db2.gz VZHTUJAEHHEGOP-UHFFFAOYSA-N 1 1 295.314 1.964 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000602784756 344598655 /nfs/dbraw/zinc/59/86/55/344598655.db2.gz JVESQKNLRJFQML-UHFFFAOYSA-N 1 1 294.355 1.745 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC2(CCCC2)C1 ZINC000602784756 344598657 /nfs/dbraw/zinc/59/86/57/344598657.db2.gz JVESQKNLRJFQML-UHFFFAOYSA-N 1 1 294.355 1.745 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C(C)C)C1CC1 ZINC000602763226 344583898 /nfs/dbraw/zinc/58/38/98/344583898.db2.gz OJPOSLHEZIFQRH-UHFFFAOYSA-N 1 1 252.318 1.973 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049460839 344712297 /nfs/dbraw/zinc/71/22/97/344712297.db2.gz OYFRDVIZOBPNIH-UHFFFAOYSA-N 1 1 274.280 1.530 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000604431607 344890410 /nfs/dbraw/zinc/89/04/10/344890410.db2.gz BFSRFVNWDHSQTC-QMMMGPOBSA-N 1 1 281.337 1.623 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000604431607 344890412 /nfs/dbraw/zinc/89/04/12/344890412.db2.gz BFSRFVNWDHSQTC-QMMMGPOBSA-N 1 1 281.337 1.623 20 5 CDBDMO CCc1nocc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000293421693 362560787 /nfs/dbraw/zinc/56/07/87/362560787.db2.gz NDJZYNABKDAWNN-UHFFFAOYSA-N 1 1 279.300 1.474 20 5 CDBDMO CCc1nocc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000293421693 362560791 /nfs/dbraw/zinc/56/07/91/362560791.db2.gz NDJZYNABKDAWNN-UHFFFAOYSA-N 1 1 279.300 1.474 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072712801 345355305 /nfs/dbraw/zinc/35/53/05/345355305.db2.gz OXRGEBCPMXDMSP-LLVKDONJSA-N 1 1 295.339 1.626 20 5 CDBDMO C[NH+]1CCC(O)(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000265862858 362619618 /nfs/dbraw/zinc/61/96/18/362619618.db2.gz KKAKGWHDXYXHQW-UHFFFAOYSA-N 1 1 285.369 1.203 20 5 CDBDMO CC(C)(C)[C@@H](C[NH3+])NCCOc1cccc([N+](=O)[O-])c1 ZINC000420354956 535041339 /nfs/dbraw/zinc/04/13/39/535041339.db2.gz DRROPLAFWWCILZ-CYBMUJFWSA-N 1 1 281.356 1.937 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000611222065 346696554 /nfs/dbraw/zinc/69/65/54/346696554.db2.gz SPGUALKHMHUFKA-VHSXEESVSA-N 1 1 267.333 1.247 20 5 CDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@H+]1CC(C)(C)O ZINC000614832329 348244165 /nfs/dbraw/zinc/24/41/65/348244165.db2.gz QWGGCFWJVYMECP-JTQLQIEISA-N 1 1 299.396 1.938 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240463 348814840 /nfs/dbraw/zinc/81/48/40/348814840.db2.gz HMIOTLKDPACFRN-WDEREUQCSA-N 1 1 294.355 1.773 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063782463 348932589 /nfs/dbraw/zinc/93/25/89/348932589.db2.gz WSWMHZZQBUOSPM-UHFFFAOYSA-N 1 1 297.359 1.028 20 5 CDBDMO COCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000066380203 348982996 /nfs/dbraw/zinc/98/29/96/348982996.db2.gz FEPOQQITQTVJRP-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CCOCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105829592 186074920 /nfs/dbraw/zinc/07/49/20/186074920.db2.gz WKOBIFSYTSHRPR-UHFFFAOYSA-N 1 1 293.367 1.749 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341027557 365993357 /nfs/dbraw/zinc/99/33/57/365993357.db2.gz LQGWTVZCKBKACN-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000341027557 365993365 /nfs/dbraw/zinc/99/33/65/365993365.db2.gz LQGWTVZCKBKACN-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292260968 198221974 /nfs/dbraw/zinc/22/19/74/198221974.db2.gz YNMDCMWJRABHRC-CYBMUJFWSA-N 1 1 280.324 1.475 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332715709 356061918 /nfs/dbraw/zinc/06/19/18/356061918.db2.gz PXABQXXSFYCKDK-NSHDSACASA-N 1 1 281.360 1.102 20 5 CDBDMO C[N@H+](C[C@@H](O)CNCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118377 357396959 /nfs/dbraw/zinc/39/69/59/357396959.db2.gz UZTPPNVCBMEJDE-AWEZNQCLSA-N 1 1 293.367 1.182 20 5 CDBDMO C[N@@H+](C[C@@H](O)CNCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566118377 357396963 /nfs/dbraw/zinc/39/69/63/357396963.db2.gz UZTPPNVCBMEJDE-AWEZNQCLSA-N 1 1 293.367 1.182 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360983876 357764454 /nfs/dbraw/zinc/76/44/54/357764454.db2.gz IAKNUUSPMMJORW-ZYHUDNBSSA-N 1 1 295.387 1.896 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)c1 ZINC000337581242 358089858 /nfs/dbraw/zinc/08/98/58/358089858.db2.gz BRRCNWRBHDLDNK-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000361403119 358174865 /nfs/dbraw/zinc/17/48/65/358174865.db2.gz MOPWMLGAOZMALF-ZDUSSCGKSA-N 1 1 280.324 1.949 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361480637 358229983 /nfs/dbraw/zinc/22/99/83/358229983.db2.gz DHCYIZKKRLYRQW-ZDUSSCGKSA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1cccc(N[C@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000302510916 358355380 /nfs/dbraw/zinc/35/53/80/358355380.db2.gz SMBNLKLUXLGYAI-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO C[C@@H]1[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCOC1(C)C ZINC000341577019 358666461 /nfs/dbraw/zinc/66/64/61/358666461.db2.gz MKRNECAXFLFNQB-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@@H]1[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCOC1(C)C ZINC000341577019 358666464 /nfs/dbraw/zinc/66/64/64/358666464.db2.gz MKRNECAXFLFNQB-NSHDSACASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000291250955 358901876 /nfs/dbraw/zinc/90/18/76/358901876.db2.gz NWINCQYCDWXZEZ-QMMMGPOBSA-N 1 1 265.269 1.549 20 5 CDBDMO Cc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450787066 359003968 /nfs/dbraw/zinc/00/39/68/359003968.db2.gz BJLOAMGGGLWVJF-PHIMTYICSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339057184 359283533 /nfs/dbraw/zinc/28/35/33/359283533.db2.gz RMJPZGLTCKNYFS-KWQFWETISA-N 1 1 252.270 1.256 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837939 200011441 /nfs/dbraw/zinc/01/14/41/200011441.db2.gz SOECYUQTLYMMEH-CABCVRRESA-N 1 1 294.351 1.987 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755616 359611377 /nfs/dbraw/zinc/61/13/77/359611377.db2.gz NKLAXOVLBZIEQP-SNVBAGLBSA-N 1 1 286.303 1.734 20 5 CDBDMO CO[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1C ZINC000342739027 360055146 /nfs/dbraw/zinc/05/51/46/360055146.db2.gz OFDZXKREGCLQBT-KOLCDFICSA-N 1 1 268.317 1.185 20 5 CDBDMO CO[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1C ZINC000342739027 360055149 /nfs/dbraw/zinc/05/51/49/360055149.db2.gz OFDZXKREGCLQBT-KOLCDFICSA-N 1 1 268.317 1.185 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000177508022 189054795 /nfs/dbraw/zinc/05/47/95/189054795.db2.gz HLSUJSQZUKKSEM-UHFFFAOYSA-N 1 1 270.358 1.619 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575114055 360804836 /nfs/dbraw/zinc/80/48/36/360804836.db2.gz IKHLOJFMDDFHBL-HUBLWGQQSA-N 1 1 294.351 1.639 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509254 201036330 /nfs/dbraw/zinc/03/63/30/201036330.db2.gz AVPVWFBOUPCEIW-JQWIXIFHSA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000581924841 364057816 /nfs/dbraw/zinc/05/78/16/364057816.db2.gz NTOXZWAZEAMLJQ-JTQLQIEISA-N 1 1 293.323 1.372 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918728 364098474 /nfs/dbraw/zinc/09/84/74/364098474.db2.gz VKPOAFSCLBYEHU-GWCFXTLKSA-N 1 1 293.323 1.013 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000340918728 364098479 /nfs/dbraw/zinc/09/84/79/364098479.db2.gz VKPOAFSCLBYEHU-GWCFXTLKSA-N 1 1 293.323 1.013 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000456341383 364244488 /nfs/dbraw/zinc/24/44/88/364244488.db2.gz FBSBSIDXEWIZAG-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(=O)NC ZINC000175168032 364633009 /nfs/dbraw/zinc/63/30/09/364633009.db2.gz JXDXWJCLVIPQKU-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000107830646 364887433 /nfs/dbraw/zinc/88/74/33/364887433.db2.gz ARGUKYFTKHOYME-WDEREUQCSA-N 1 1 279.344 1.675 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414484267 241224836 /nfs/dbraw/zinc/22/48/36/241224836.db2.gz GIWXCZSNVAODSP-STQMWFEESA-N 1 1 280.324 1.485 20 5 CDBDMO NC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000414814059 241398947 /nfs/dbraw/zinc/39/89/47/241398947.db2.gz YXJVWHGZDSOVGH-DXTPNHAXSA-N 1 1 261.325 1.935 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@H+]1C1CC1 ZINC000440930562 367106040 /nfs/dbraw/zinc/10/60/40/367106040.db2.gz ROLARJTZDVRQEH-UWVGGRQHSA-N 1 1 292.339 1.288 20 5 CDBDMO Cc1occc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519210 367568440 /nfs/dbraw/zinc/56/84/40/367568440.db2.gz FSOIJZHIBGITLZ-UHFFFAOYSA-N 1 1 291.307 1.790 20 5 CDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330675288 203103079 /nfs/dbraw/zinc/10/30/79/203103079.db2.gz RRSKZGXMDCOVKF-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330675288 203103081 /nfs/dbraw/zinc/10/30/81/203103081.db2.gz RRSKZGXMDCOVKF-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633506 244299042 /nfs/dbraw/zinc/29/90/42/244299042.db2.gz JIFJOUNSSBGTIM-JTQLQIEISA-N 1 1 292.339 1.224 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000330812456 203265350 /nfs/dbraw/zinc/26/53/50/203265350.db2.gz CCPCNEJVMKJQFZ-ZDUSSCGKSA-N 1 1 282.365 1.547 20 5 CDBDMO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856267 370225908 /nfs/dbraw/zinc/22/59/08/370225908.db2.gz VBSIDSXDUJUPAY-NWDGAFQWSA-N 1 1 279.340 1.643 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693995 370571580 /nfs/dbraw/zinc/57/15/80/370571580.db2.gz LXUNHFMTIFFBHZ-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635523 373249409 /nfs/dbraw/zinc/24/94/09/373249409.db2.gz HGUFBRHZDGWUIY-BXUZGUMPSA-N 1 1 280.324 1.597 20 5 CDBDMO Cn1cc[nH+]c1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000192830959 373643018 /nfs/dbraw/zinc/64/30/18/373643018.db2.gz YEDHRQGGUGNQPB-UHFFFAOYSA-N 1 1 285.263 1.087 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000091562317 374040471 /nfs/dbraw/zinc/04/04/71/374040471.db2.gz KWMIDWPEXQUDCP-SECBINFHSA-N 1 1 279.344 1.539 20 5 CDBDMO C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298780861 374175002 /nfs/dbraw/zinc/17/50/02/374175002.db2.gz OAJAMBYRLZVSHC-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO COc1ccc(C[N@@H+](C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000429264581 374577218 /nfs/dbraw/zinc/57/72/18/374577218.db2.gz CPRPVEOLFXRBKI-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154849642 374765083 /nfs/dbraw/zinc/76/50/83/374765083.db2.gz UZGZLMYZFQNTCM-LLVKDONJSA-N 1 1 289.335 1.968 20 5 CDBDMO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000132182858 375407947 /nfs/dbraw/zinc/40/79/47/375407947.db2.gz LEBJDAZCSNDKHW-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293935177 375437774 /nfs/dbraw/zinc/43/77/74/375437774.db2.gz QTMKADMHSDHJQP-LLVKDONJSA-N 1 1 268.313 1.806 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000353498213 375619704 /nfs/dbraw/zinc/61/97/04/375619704.db2.gz UIQCILYRWFFGKU-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CC(O)C1 ZINC000353498213 375619707 /nfs/dbraw/zinc/61/97/07/375619707.db2.gz UIQCILYRWFFGKU-UHFFFAOYSA-N 1 1 293.323 1.297 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000426459511 247026981 /nfs/dbraw/zinc/02/69/81/247026981.db2.gz KXUIIPFCDLOKGM-GHMZBOCLSA-N 1 1 250.302 1.666 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000354558233 375725972 /nfs/dbraw/zinc/72/59/72/375725972.db2.gz ASFWUQQBEMYNRY-SCZZXKLOSA-N 1 1 251.290 1.279 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000133183652 375716327 /nfs/dbraw/zinc/71/63/27/375716327.db2.gz QNHBSXZAPGCQIW-GFCCVEGCSA-N 1 1 285.731 1.992 20 5 CDBDMO O=[N+]([O-])c1ccc(SCCC[NH+]2CCOCC2)nc1 ZINC000160119654 375733425 /nfs/dbraw/zinc/73/34/25/375733425.db2.gz XCLRLVVOSVIPHF-UHFFFAOYSA-N 1 1 283.353 1.804 20 5 CDBDMO COc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000354781890 375750673 /nfs/dbraw/zinc/75/06/73/375750673.db2.gz HQVTVAQVCLOXGB-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075144 375881268 /nfs/dbraw/zinc/88/12/68/375881268.db2.gz VIXIHUIUWQKDOO-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000278619594 194071899 /nfs/dbraw/zinc/07/18/99/194071899.db2.gz FQUZRRNGJNIDQL-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000278619594 194071900 /nfs/dbraw/zinc/07/19/00/194071900.db2.gz FQUZRRNGJNIDQL-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572892 252099358 /nfs/dbraw/zinc/09/93/58/252099358.db2.gz LBWNESAKAWZVMN-MJVIPROJSA-N 1 1 291.351 1.970 20 5 CDBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000279728007 194543633 /nfs/dbraw/zinc/54/36/33/194543633.db2.gz JINIFSQSEIHIJQ-GFCCVEGCSA-N 1 1 291.307 1.939 20 5 CDBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1O ZINC000279728007 194543635 /nfs/dbraw/zinc/54/36/35/194543635.db2.gz JINIFSQSEIHIJQ-GFCCVEGCSA-N 1 1 291.307 1.939 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189725711 130015434 /nfs/dbraw/zinc/01/54/34/130015434.db2.gz WRWNJOPTJRYZSN-ZWNOBZJWSA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181252 130387870 /nfs/dbraw/zinc/38/78/70/130387870.db2.gz SJECEBLKWGEHSF-SNVBAGLBSA-N 1 1 270.358 1.619 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200007 391906230 /nfs/dbraw/zinc/90/62/30/391906230.db2.gz HITOJMFGEWNVMN-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209152 391906490 /nfs/dbraw/zinc/90/64/90/391906490.db2.gz AFGXXYQTFPMXPV-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000517016698 392813476 /nfs/dbraw/zinc/81/34/76/392813476.db2.gz FYLOQSHPFZCONK-UHFFFAOYSA-N 1 1 254.265 1.271 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420583778 392919475 /nfs/dbraw/zinc/91/94/75/392919475.db2.gz LAKCICJQCITPJM-JTQLQIEISA-N 1 1 294.355 1.836 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1c([N+](=O)[O-])ncn1C ZINC000521788066 392870618 /nfs/dbraw/zinc/87/06/18/392870618.db2.gz HWOWZGLGLVEHGH-SNVBAGLBSA-N 1 1 267.333 1.249 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000421028184 392927595 /nfs/dbraw/zinc/92/75/95/392927595.db2.gz WFOJYNNCVBAAJV-AWEZNQCLSA-N 1 1 278.308 1.968 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000421028184 392927596 /nfs/dbraw/zinc/92/75/96/392927596.db2.gz WFOJYNNCVBAAJV-AWEZNQCLSA-N 1 1 278.308 1.968 20 5 CDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(C)(C)[NH3+] ZINC000423288585 392960484 /nfs/dbraw/zinc/96/04/84/392960484.db2.gz TUXCRCDULXIZOH-JTQLQIEISA-N 1 1 294.355 1.639 20 5 CDBDMO CCN[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389660 392961657 /nfs/dbraw/zinc/96/16/57/392961657.db2.gz VKQMCUSCLMANOD-FRRDWIJNSA-N 1 1 295.387 1.863 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CO ZINC000430222590 393092862 /nfs/dbraw/zinc/09/28/62/393092862.db2.gz WIHLKLOSRBLANM-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO CC[N@@H+](CCOCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000282173414 393173266 /nfs/dbraw/zinc/17/32/66/393173266.db2.gz VFBJYNUSEXHRSS-GFCCVEGCSA-N 1 1 282.340 1.987 20 5 CDBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000187670664 140082515 /nfs/dbraw/zinc/08/25/15/140082515.db2.gz IVCABRLYLDITEP-STQMWFEESA-N 1 1 294.351 1.646 20 5 CDBDMO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000192726845 140144309 /nfs/dbraw/zinc/14/43/09/140144309.db2.gz PDERLNCQIMKYJA-UHFFFAOYSA-N 1 1 269.326 1.434 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000192726845 140144310 /nfs/dbraw/zinc/14/43/10/140144310.db2.gz PDERLNCQIMKYJA-UHFFFAOYSA-N 1 1 269.326 1.434 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854497 140327089 /nfs/dbraw/zinc/32/70/89/140327089.db2.gz HAMHQYIUDNXMHV-SGMGOOAPSA-N 1 1 292.335 1.806 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252883739 140328912 /nfs/dbraw/zinc/32/89/12/140328912.db2.gz VMJBHCXTINQJST-FPMFFAJLSA-N 1 1 262.309 1.798 20 5 CDBDMO CN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000312050715 149226026 /nfs/dbraw/zinc/22/60/26/149226026.db2.gz BYBBNTDHKWKHFN-SECBINFHSA-N 1 1 283.715 1.569 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@H+]1CCCC[C@H]1C ZINC000343069698 152019679 /nfs/dbraw/zinc/01/96/79/152019679.db2.gz ZYDQRUKXCRJRLX-MNOVXSKESA-N 1 1 294.355 1.916 20 5 CDBDMO C[C@H](CO)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299889 154084588 /nfs/dbraw/zinc/08/45/88/154084588.db2.gz RTOZNFQEENFOJP-JPVGGKMYSA-N 1 1 250.298 1.921 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352204231 155021781 /nfs/dbraw/zinc/02/17/81/155021781.db2.gz WYTPYIFFWFGDEW-LBPRGKRZSA-N 1 1 293.323 1.305 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352204231 155021784 /nfs/dbraw/zinc/02/17/84/155021784.db2.gz WYTPYIFFWFGDEW-LBPRGKRZSA-N 1 1 293.323 1.305 20 5 CDBDMO CCC[N@@H+](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000355585008 157129865 /nfs/dbraw/zinc/12/98/65/157129865.db2.gz LEUPHYVBEPMVFU-UHFFFAOYSA-N 1 1 277.324 1.826 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000359025477 158102685 /nfs/dbraw/zinc/10/26/85/158102685.db2.gz DXNQQXMEQRFYBJ-NXEZZACHSA-N 1 1 293.327 1.016 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCOCC2)c1 ZINC000363379845 159322895 /nfs/dbraw/zinc/32/28/95/159322895.db2.gz YEPKELMFTVEHNP-ZDUSSCGKSA-N 1 1 296.323 1.057 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374401631 160283034 /nfs/dbraw/zinc/28/30/34/160283034.db2.gz RFWJIVIZDOWYLT-NEPJUHHUSA-N 1 1 280.328 1.150 20 5 CDBDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723319 177375754 /nfs/dbraw/zinc/37/57/54/177375754.db2.gz ZUFBBMXSONLZDT-SECBINFHSA-N 1 1 277.324 1.924 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@H]2C1 ZINC000249297882 277147803 /nfs/dbraw/zinc/14/78/03/277147803.db2.gz RKPYPBKRCVOAKY-BDAKNGLRSA-N 1 1 268.342 1.582 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000302843612 281014766 /nfs/dbraw/zinc/01/47/66/281014766.db2.gz FETLZINIJBWBSY-PHIMTYICSA-N 1 1 262.313 1.296 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000423691215 281257136 /nfs/dbraw/zinc/25/71/36/281257136.db2.gz POIAGXSMGYXWMJ-AWEZNQCLSA-N 1 1 295.314 1.677 20 5 CDBDMO Cc1cnc(NCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000401740097 289441987 /nfs/dbraw/zinc/44/19/87/289441987.db2.gz RGTKTRHASWEZPH-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]1(C)CO ZINC000562374445 293146325 /nfs/dbraw/zinc/14/63/25/293146325.db2.gz QFEMGJNUEJGIPO-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168967098 1161996335 /nfs/dbraw/zinc/99/63/35/1161996335.db2.gz NGWYKRXTBSVAPA-RWMBFGLXSA-N 1 1 255.362 1.506 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000156671494 519625446 /nfs/dbraw/zinc/62/54/46/519625446.db2.gz KOSGUEXSWPAOFT-CYBMUJFWSA-N 1 1 291.351 1.895 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525819 524095172 /nfs/dbraw/zinc/09/51/72/524095172.db2.gz ZVVQHWCDGKJQBU-LLVKDONJSA-N 1 1 295.339 1.288 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000157350921 524802110 /nfs/dbraw/zinc/80/21/10/524802110.db2.gz BQZBOHNXPVCRQS-UWVGGRQHSA-N 1 1 292.339 1.390 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000340935285 525453822 /nfs/dbraw/zinc/45/38/22/525453822.db2.gz WVUYNIGECCNQGX-PWSUYJOCSA-N 1 1 266.297 1.429 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000337323826 526072533 /nfs/dbraw/zinc/07/25/33/526072533.db2.gz SUKDRRGPHFXMNP-UHFFFAOYSA-N 1 1 263.297 1.339 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC000182632211 526090258 /nfs/dbraw/zinc/09/02/58/526090258.db2.gz LKXWIVRIRQFMJB-NSHDSACASA-N 1 1 279.340 1.984 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC000182632211 526090262 /nfs/dbraw/zinc/09/02/62/526090262.db2.gz LKXWIVRIRQFMJB-NSHDSACASA-N 1 1 279.340 1.984 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184190308 527356015 /nfs/dbraw/zinc/35/60/15/527356015.db2.gz PEOYHQSONYUCOE-LBPRGKRZSA-N 1 1 286.715 1.489 20 5 CDBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304306262 528381171 /nfs/dbraw/zinc/38/11/71/528381171.db2.gz KBGJUPRWLNAJEP-GXTWGEPZSA-N 1 1 296.371 1.663 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000772005934 575648615 /nfs/dbraw/zinc/64/86/15/575648615.db2.gz XVZFQKPTRGTWGQ-UHFFFAOYSA-N 1 1 290.279 1.539 20 5 CDBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000768303550 576270145 /nfs/dbraw/zinc/27/01/45/576270145.db2.gz VLHNFWRAGHMDDH-SOFGYWHQSA-N 1 1 277.324 1.676 20 5 CDBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000768303550 576270147 /nfs/dbraw/zinc/27/01/47/576270147.db2.gz VLHNFWRAGHMDDH-SOFGYWHQSA-N 1 1 277.324 1.676 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000769140366 576333503 /nfs/dbraw/zinc/33/35/03/576333503.db2.gz NAIHFAHUCCCFPA-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000769140366 576333505 /nfs/dbraw/zinc/33/35/05/576333505.db2.gz NAIHFAHUCCCFPA-NXEZZACHSA-N 1 1 295.314 1.899 20 5 CDBDMO CC1(C)OCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000758046460 577069677 /nfs/dbraw/zinc/06/96/77/577069677.db2.gz RCOYUQIHRPRMPJ-UHFFFAOYSA-N 1 1 284.287 1.975 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892076731 617465219 /nfs/dbraw/zinc/46/52/19/617465219.db2.gz HIUITFSMBHCOHC-JTQLQIEISA-N 1 1 296.323 1.777 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCOC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892076731 617465222 /nfs/dbraw/zinc/46/52/22/617465222.db2.gz HIUITFSMBHCOHC-JTQLQIEISA-N 1 1 296.323 1.777 20 5 CDBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930750844 617530901 /nfs/dbraw/zinc/53/09/01/617530901.db2.gz MQNXPBFKLQLZRB-WDEREUQCSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930750844 617530904 /nfs/dbraw/zinc/53/09/04/617530904.db2.gz MQNXPBFKLQLZRB-WDEREUQCSA-N 1 1 272.345 1.563 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893939185 618200833 /nfs/dbraw/zinc/20/08/33/618200833.db2.gz IHHGWIVJCFCMSI-WDEREUQCSA-N 1 1 287.323 1.383 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000893990755 618234058 /nfs/dbraw/zinc/23/40/58/618234058.db2.gz OLXVQQGLISFBAR-AOOOYVTPSA-N 1 1 280.328 1.527 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000894654574 619005966 /nfs/dbraw/zinc/00/59/66/619005966.db2.gz DNBYTIXSBKZRPQ-GFCCVEGCSA-N 1 1 293.371 1.862 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000895246324 619491861 /nfs/dbraw/zinc/49/18/61/619491861.db2.gz MYMWFGPOLLPAAN-YPMHNXCESA-N 1 1 293.371 1.344 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000923890707 621662906 /nfs/dbraw/zinc/66/29/06/621662906.db2.gz SQOKSXIQBHGEKT-LLVKDONJSA-N 1 1 296.327 1.207 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000905090943 626605611 /nfs/dbraw/zinc/60/56/11/626605611.db2.gz WGVBRFCIITVUTG-OLZOCXBDSA-N 1 1 250.298 1.773 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCCN1c1ccccc1F ZINC000905187083 626667128 /nfs/dbraw/zinc/66/71/28/626667128.db2.gz ATNNRTXEHFYIIM-LLVKDONJSA-N 1 1 281.287 1.187 20 5 CDBDMO CCCCCn1cc(C[NH2+]CC[N+](=O)[O-])c(C)n1 ZINC000905191419 626669622 /nfs/dbraw/zinc/66/96/22/626669622.db2.gz OHXARWLUJPGTFT-UHFFFAOYSA-N 1 1 254.334 1.748 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925427 630306781 /nfs/dbraw/zinc/30/67/81/630306781.db2.gz JQGXJSDVBMKPAB-VIFPVBQESA-N 1 1 281.337 1.577 20 5 CDBDMO CNC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327203 1162337771 /nfs/dbraw/zinc/33/77/71/1162337771.db2.gz FRCRNCKTCTTZNJ-JTQLQIEISA-N 1 1 295.339 1.212 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170327203 1162337773 /nfs/dbraw/zinc/33/77/73/1162337773.db2.gz FRCRNCKTCTTZNJ-JTQLQIEISA-N 1 1 295.339 1.212 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001604319120 1163148044 /nfs/dbraw/zinc/14/80/44/1163148044.db2.gz AXZNWLDWLXBMHV-SNVBAGLBSA-N 1 1 290.327 1.526 20 5 CDBDMO COc1nc(NCCn2cc[nH+]c2C)ncc1[N+](=O)[O-] ZINC001156002013 1167281246 /nfs/dbraw/zinc/28/12/46/1167281246.db2.gz LXZGPPGRQLGMLE-UHFFFAOYSA-N 1 1 278.272 1.010 20 5 CDBDMO CCC1(CO)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886099184 712032393 /nfs/dbraw/zinc/03/23/93/712032393.db2.gz WQGMXLFGCHDYAJ-UHFFFAOYSA-N 1 1 279.340 1.974 20 5 CDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839711167 712226393 /nfs/dbraw/zinc/22/63/93/712226393.db2.gz ZYAQRPSAQLQDAA-YNEHKIRRSA-N 1 1 283.372 1.136 20 5 CDBDMO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839711167 712226397 /nfs/dbraw/zinc/22/63/97/712226397.db2.gz ZYAQRPSAQLQDAA-YNEHKIRRSA-N 1 1 283.372 1.136 20 5 CDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839711167 712226405 /nfs/dbraw/zinc/22/64/05/712226405.db2.gz ZYAQRPSAQLQDAA-YNEHKIRRSA-N 1 1 283.372 1.136 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000847257755 712245622 /nfs/dbraw/zinc/24/56/22/712245622.db2.gz ZBICPNLGXSOHMV-STQMWFEESA-N 1 1 297.399 1.955 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCF ZINC000887139095 712252726 /nfs/dbraw/zinc/25/27/26/712252726.db2.gz ZPPOSXKPSRYMQB-UHFFFAOYSA-N 1 1 299.302 1.833 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCF ZINC000887139095 712252729 /nfs/dbraw/zinc/25/27/29/712252729.db2.gz ZPPOSXKPSRYMQB-UHFFFAOYSA-N 1 1 299.302 1.833 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032686 712297705 /nfs/dbraw/zinc/29/77/05/712297705.db2.gz LNGUZTKFMDWFNX-GFCCVEGCSA-N 1 1 278.356 1.763 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276886 712307205 /nfs/dbraw/zinc/30/72/05/712307205.db2.gz KZPSQSBGVMEPHZ-WFASDCNBSA-N 1 1 293.367 1.654 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931998794 712348475 /nfs/dbraw/zinc/34/84/75/712348475.db2.gz OYFQXNGALBPBHY-LLVKDONJSA-N 1 1 279.296 1.185 20 5 CDBDMO Cc1c(CNC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587217 712479786 /nfs/dbraw/zinc/47/97/86/712479786.db2.gz MEHFAEIOYPCWNG-CQSZACIVSA-N 1 1 279.340 1.059 20 5 CDBDMO Cc1c(C[NH2+]C[C@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000702587217 712479788 /nfs/dbraw/zinc/47/97/88/712479788.db2.gz MEHFAEIOYPCWNG-CQSZACIVSA-N 1 1 279.340 1.059 20 5 CDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839460237 712510701 /nfs/dbraw/zinc/51/07/01/712510701.db2.gz DHGSTDSHTKMQLM-JHJVBQTASA-N 1 1 277.324 1.071 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000794711367 712709342 /nfs/dbraw/zinc/70/93/42/712709342.db2.gz MFINTGNBQDLMCK-MFKMUULPSA-N 1 1 268.313 1.331 20 5 CDBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879963175 1166430965 /nfs/dbraw/zinc/43/09/65/1166430965.db2.gz YIEXQPBHOPKDAT-NSHDSACASA-N 1 1 282.344 1.274 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000059490879 1167304613 /nfs/dbraw/zinc/30/46/13/1167304613.db2.gz FMAKBHHBQGUOFP-UHFFFAOYSA-N 1 1 292.339 1.461 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])cc1=N ZINC001173215775 912299552 /nfs/dbraw/zinc/29/95/52/912299552.db2.gz ZNZCOUAEUMWKOT-JTQLQIEISA-N 1 1 287.323 1.533 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN(C)CCO ZINC001173227522 912320636 /nfs/dbraw/zinc/32/06/36/912320636.db2.gz GSCCPDJAURTZOR-ZDUSSCGKSA-N 1 1 295.383 1.430 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001167359361 895431735 /nfs/dbraw/zinc/43/17/35/895431735.db2.gz OYNKHNCPYWPNFC-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])cc2=N)c1F ZINC001167362261 895436647 /nfs/dbraw/zinc/43/66/47/895436647.db2.gz RHIVQKFMQGNZHY-UHFFFAOYSA-N 1 1 277.259 1.166 20 5 CDBDMO COc1ccc([N+](=O)[O-])nc1NCC[NH+]1CCSCC1 ZINC001167837998 901270248 /nfs/dbraw/zinc/27/02/48/901270248.db2.gz WXTDACDWFJASRW-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000712597368 909569914 /nfs/dbraw/zinc/56/99/14/909569914.db2.gz LOVBBSRVEYBKCA-JTQLQIEISA-N 1 1 278.312 1.070 20 5 CDBDMO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000712597368 909569921 /nfs/dbraw/zinc/56/99/21/909569921.db2.gz LOVBBSRVEYBKCA-JTQLQIEISA-N 1 1 278.312 1.070 20 5 CDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161484866 910295295 /nfs/dbraw/zinc/29/52/95/910295295.db2.gz NAEDIEIAIFKYME-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161484866 910295310 /nfs/dbraw/zinc/29/53/10/910295310.db2.gz NAEDIEIAIFKYME-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642999 922700951 /nfs/dbraw/zinc/70/09/51/922700951.db2.gz IWXWYLKZMURCGW-FDYHWXHSSA-N 1 1 281.356 1.079 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000842615312 937065037 /nfs/dbraw/zinc/06/50/37/937065037.db2.gz LMQLQJWZPQLWGQ-WCQYABFASA-N 1 1 280.328 1.640 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712323284 927286179 /nfs/dbraw/zinc/28/61/79/927286179.db2.gz KMWMYHWOZJVSOY-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000712323284 927286191 /nfs/dbraw/zinc/28/61/91/927286191.db2.gz KMWMYHWOZJVSOY-MRVPVSSYSA-N 1 1 283.715 1.682 20 5 CDBDMO CC(C)(C)OC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964817 927586330 /nfs/dbraw/zinc/58/63/30/927586330.db2.gz WLMXJHWHFWBHHS-NXEZZACHSA-N 1 1 258.318 1.363 20 5 CDBDMO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974059 927597660 /nfs/dbraw/zinc/59/76/60/927597660.db2.gz QCERGIIHRQKTLF-SDDRHHMPSA-N 1 1 272.345 1.753 20 5 CDBDMO CCN(CC)CC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006022 927608979 /nfs/dbraw/zinc/60/89/79/927608979.db2.gz FJTVKSDQABLALB-OLZOCXBDSA-N 1 1 257.378 1.705 20 5 CDBDMO CC[NH+](CC)CCN(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006022 927608984 /nfs/dbraw/zinc/60/89/84/927608984.db2.gz FJTVKSDQABLALB-OLZOCXBDSA-N 1 1 257.378 1.705 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(C)O ZINC001169006955 927610875 /nfs/dbraw/zinc/61/08/75/927610875.db2.gz KOLVKFYOMRLKSJ-XJFOESAGSA-N 1 1 270.373 1.915 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CCO)C2)C1 ZINC001169034981 927642360 /nfs/dbraw/zinc/64/23/60/927642360.db2.gz JLZVXPFOTAZVDK-JHJVBQTASA-N 1 1 256.346 1.526 20 5 CDBDMO C[N@H+](C1CC1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039924 927653462 /nfs/dbraw/zinc/65/34/62/927653462.db2.gz VVMHGVXYAOJIML-SWLSCSKDSA-N 1 1 281.400 1.990 20 5 CDBDMO C[N@@H+](C1CC1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039924 927653466 /nfs/dbraw/zinc/65/34/66/927653466.db2.gz VVMHGVXYAOJIML-SWLSCSKDSA-N 1 1 281.400 1.990 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039889 927653512 /nfs/dbraw/zinc/65/35/12/927653512.db2.gz VJQGJFYWLCCTAO-WOPDTQHZSA-N 1 1 270.329 1.459 20 5 CDBDMO CC(C)(O)CC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042811 927656903 /nfs/dbraw/zinc/65/69/03/927656903.db2.gz GALPFZQHVHJFSQ-KBPBESRZSA-N 1 1 299.415 1.210 20 5 CDBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169057948 927676042 /nfs/dbraw/zinc/67/60/42/927676042.db2.gz ZIBRYQDQRMZTER-LOWDOPEQSA-N 1 1 266.341 1.733 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579243 927754078 /nfs/dbraw/zinc/75/40/78/927754078.db2.gz KGBNIQBQIZFRTI-ZWNOBZJWSA-N 1 1 296.323 1.369 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745303 937279760 /nfs/dbraw/zinc/27/97/60/937279760.db2.gz VJPGZOBSIHKTGG-YQRAZLAVSA-N 1 1 274.320 1.922 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882034361 929935595 /nfs/dbraw/zinc/93/55/95/929935595.db2.gz RNMRKXWHSWUSJM-SNVBAGLBSA-N 1 1 282.319 1.907 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000882483384 930010549 /nfs/dbraw/zinc/01/05/49/930010549.db2.gz ZFGOXLKOWXDMCE-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959741 930646006 /nfs/dbraw/zinc/64/60/06/930646006.db2.gz IBRQXXBMRTWSMK-PRHODGIISA-N 1 1 264.329 1.565 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001170896557 930692092 /nfs/dbraw/zinc/69/20/92/930692092.db2.gz HAJHMEIEYVXCLJ-NSHDSACASA-N 1 1 293.302 1.718 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886044533 930795543 /nfs/dbraw/zinc/79/55/43/930795543.db2.gz ZFKJWNMVPJHFDG-JSGCOSHPSA-N 1 1 290.367 1.906 20 5 CDBDMO C[C@@](O)(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(F)F ZINC000886087145 930800848 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COc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928555975 933156480 /nfs/dbraw/zinc/15/64/80/933156480.db2.gz MARHEQIZBGGXLD-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928555975 933156482 /nfs/dbraw/zinc/15/64/82/933156482.db2.gz MARHEQIZBGGXLD-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000929281463 933221811 /nfs/dbraw/zinc/22/18/11/933221811.db2.gz MZSWSYYLZSEPSV-GFCCVEGCSA-N 1 1 283.372 1.234 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)c1C ZINC001119454714 937721543 /nfs/dbraw/zinc/72/15/43/937721543.db2.gz LKFBLGFLTWBMQL-UHFFFAOYSA-N 1 1 289.335 1.813 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201208 934983241 /nfs/dbraw/zinc/98/32/41/934983241.db2.gz GCZPHOHFAJUSPM-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251577514 935022321 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C[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224108717 941720582 /nfs/dbraw/zinc/72/05/82/941720582.db2.gz JWNYICPVVVOWFA-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(F)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225574407 941882886 /nfs/dbraw/zinc/88/28/86/941882886.db2.gz AVHPNKOCOCCEGR-BHYNMZESSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(F)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225574407 941882891 /nfs/dbraw/zinc/88/28/91/941882891.db2.gz AVHPNKOCOCCEGR-BHYNMZESSA-N 1 1 294.282 1.917 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)cc1O ZINC001228812756 942380720 /nfs/dbraw/zinc/38/07/20/942380720.db2.gz XWNSQBOSNBXXIV-MRVPVSSYSA-N 1 1 296.279 1.170 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)cc1O ZINC001228812756 942380724 /nfs/dbraw/zinc/38/07/24/942380724.db2.gz XWNSQBOSNBXXIV-MRVPVSSYSA-N 1 1 296.279 1.170 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601645 942655359 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C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743535 954054002 /nfs/dbraw/zinc/05/40/02/954054002.db2.gz NQBDDDFMXHBMOP-UWVGGRQHSA-N 1 1 266.345 1.683 20 5 CDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001333571565 958428442 /nfs/dbraw/zinc/42/84/42/958428442.db2.gz UWRNKEYRDAMJDS-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001333571565 958428449 /nfs/dbraw/zinc/42/84/49/958428449.db2.gz UWRNKEYRDAMJDS-JTQLQIEISA-N 1 1 295.343 1.120 20 5 CDBDMO CN(c1cc(N)c([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001515753285 969914514 /nfs/dbraw/zinc/91/45/14/969914514.db2.gz NCNZTWWACJUVBW-ZACCUICWSA-N 1 1 291.355 1.633 20 5 CDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CC1 ZINC001575922139 1171295672 /nfs/dbraw/zinc/29/56/72/1171295672.db2.gz JRWATUMCSNSRGZ-JTQLQIEISA-N 1 1 292.339 1.393 20 5 CDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CC1 ZINC001575922139 1171295679 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CC[N@H+]1CCCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590579898 342577528 /nfs/dbraw/zinc/57/75/28/342577528.db2.gz XXRUTUMMTHTASX-SNVBAGLBSA-N 1 1 279.344 1.280 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000046998051 342093037 /nfs/dbraw/zinc/09/30/37/342093037.db2.gz CKOCKDYPASWOIX-ZIAGYGMSSA-N 1 1 289.335 1.951 20 5 CDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC(N)=O ZINC000286529805 342094949 /nfs/dbraw/zinc/09/49/49/342094949.db2.gz RFOYPRZIDBVHHD-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)(C)O ZINC000092982056 342274901 /nfs/dbraw/zinc/27/49/01/342274901.db2.gz PCQLDYNDXLLGEV-UHFFFAOYSA-N 1 1 270.333 1.193 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCCO)C2CC2)cc1 ZINC000404253230 349769818 /nfs/dbraw/zinc/76/98/18/349769818.db2.gz CQEUNPADKODUHH-UHFFFAOYSA-N 1 1 264.325 1.984 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595415750 343054234 /nfs/dbraw/zinc/05/42/34/343054234.db2.gz SHTZSOZDWKDLNU-IUODEOHRSA-N 1 1 295.383 1.947 20 5 CDBDMO CCCC[N@H+](CCCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595427543 343057524 /nfs/dbraw/zinc/05/75/24/343057524.db2.gz ZKKSNKCIPAJOTC-UHFFFAOYSA-N 1 1 271.317 1.876 20 5 CDBDMO CCCC[N@@H+](CCCO)Cc1onc(C)c1[N+](=O)[O-] ZINC000595427543 343057527 /nfs/dbraw/zinc/05/75/27/343057527.db2.gz ZKKSNKCIPAJOTC-UHFFFAOYSA-N 1 1 271.317 1.876 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000595458645 343069050 /nfs/dbraw/zinc/06/90/50/343069050.db2.gz LHVJTXXZOGFQTQ-NXEZZACHSA-N 1 1 286.303 1.298 20 5 CDBDMO CC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000595536888 343091934 /nfs/dbraw/zinc/09/19/34/343091934.db2.gz WMBYDKLHKNVERS-LBPRGKRZSA-N 1 1 281.360 1.207 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735567 343135284 /nfs/dbraw/zinc/13/52/84/343135284.db2.gz BBDSEAHDJKETDC-LBPRGKRZSA-N 1 1 296.323 1.321 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000080147911 342350575 /nfs/dbraw/zinc/35/05/75/342350575.db2.gz PWRCOYYYBQBXTA-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO Nc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1[N+](=O)[O-] ZINC000596109333 343229487 /nfs/dbraw/zinc/22/94/87/343229487.db2.gz WZRSHYNIEWAOFR-SECBINFHSA-N 1 1 288.311 1.679 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596241813 343285050 /nfs/dbraw/zinc/28/50/50/343285050.db2.gz LMNIGMWZQRUICE-JTQLQIEISA-N 1 1 281.360 1.526 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596269602 343281297 /nfs/dbraw/zinc/28/12/97/343281297.db2.gz UXOJZONZFBHDNB-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000596429546 343314699 /nfs/dbraw/zinc/31/46/99/343314699.db2.gz JWFDHTZUESSXBM-VXGBXAGGSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ncc1[N+](=O)[O-] ZINC000596429546 343314702 /nfs/dbraw/zinc/31/47/02/343314702.db2.gz JWFDHTZUESSXBM-VXGBXAGGSA-N 1 1 294.355 1.241 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000090551261 342396457 /nfs/dbraw/zinc/39/64/57/342396457.db2.gz JDUNVIREARACLX-PHIMTYICSA-N 1 1 265.313 1.344 20 5 CDBDMO CCC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554330 342396619 /nfs/dbraw/zinc/39/66/19/342396619.db2.gz CWFRFQGCVQGTHK-UHFFFAOYSA-N 1 1 267.329 1.877 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977176 342446472 /nfs/dbraw/zinc/44/64/72/342446472.db2.gz GXKKUZKKAFQAKT-WDEREUQCSA-N 1 1 277.324 1.853 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343782 343771584 /nfs/dbraw/zinc/77/15/84/343771584.db2.gz XSFNAPGLCWEXOT-LBPRGKRZSA-N 1 1 277.324 1.809 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2c1CCCC2 ZINC000601911623 344279116 /nfs/dbraw/zinc/27/91/16/344279116.db2.gz HFHPVMWCBIJSCO-UHFFFAOYSA-N 1 1 275.312 1.875 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000602810899 344602998 /nfs/dbraw/zinc/60/29/98/344602998.db2.gz IMRPCQZNATXJGM-VXGBXAGGSA-N 1 1 264.329 1.974 20 5 CDBDMO COC[C@@](C)(CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602932532 344662484 /nfs/dbraw/zinc/66/24/84/344662484.db2.gz PTLUKBLNJFRNQH-GFCCVEGCSA-N 1 1 272.276 1.221 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602982622 344674556 /nfs/dbraw/zinc/67/45/56/344674556.db2.gz VPCINWDRWFYTHI-LBPRGKRZSA-N 1 1 268.317 1.028 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000602836736 344618935 /nfs/dbraw/zinc/61/89/35/344618935.db2.gz HLLWKKAVGGITRY-GFCCVEGCSA-N 1 1 290.327 1.243 20 5 CDBDMO CN(C)CC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603850702 344840113 /nfs/dbraw/zinc/84/01/13/344840113.db2.gz VSEILUZMESNEJN-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913304 362517669 /nfs/dbraw/zinc/51/76/69/362517669.db2.gz XSHBUQCHTUHWCR-ZDUSSCGKSA-N 1 1 277.328 1.307 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344048920 362539609 /nfs/dbraw/zinc/53/96/09/362539609.db2.gz ZHHUCHGNYBCBSJ-IMSIIYSGSA-N 1 1 280.299 1.937 20 5 CDBDMO CCc1nn(C)c(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000611281229 346734960 /nfs/dbraw/zinc/73/49/60/346734960.db2.gz SQSJJMBDPRJJPF-UHFFFAOYSA-N 1 1 293.371 1.565 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000067703138 349033309 /nfs/dbraw/zinc/03/33/09/349033309.db2.gz JVYZKQLIXKCMST-JTQLQIEISA-N 1 1 275.308 1.561 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)O ZINC000072636547 349127355 /nfs/dbraw/zinc/12/73/55/349127355.db2.gz HUIHRQHMDVADRN-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1c(C[NH2+][C@H](CO)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000273998735 192395720 /nfs/dbraw/zinc/39/57/20/192395720.db2.gz KLRWAGGLMUMTOD-CYBMUJFWSA-N 1 1 290.323 1.460 20 5 CDBDMO CCc1[nH]nc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000618216063 349404031 /nfs/dbraw/zinc/40/40/31/349404031.db2.gz YVWXSRQYPPFNCN-UHFFFAOYSA-N 1 1 297.359 1.294 20 5 CDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156888521 351575258 /nfs/dbraw/zinc/57/52/58/351575258.db2.gz RQNHNBMHALADCF-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156888521 351575262 /nfs/dbraw/zinc/57/52/62/351575262.db2.gz RQNHNBMHALADCF-MFKMUULPSA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888403 187113429 /nfs/dbraw/zinc/11/34/29/187113429.db2.gz KDKLPUPMEIDIHV-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000279761129 363289896 /nfs/dbraw/zinc/28/98/96/363289896.db2.gz MFHMEIUWKCFKCS-GFCCVEGCSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000279761129 363289907 /nfs/dbraw/zinc/28/99/07/363289907.db2.gz MFHMEIUWKCFKCS-GFCCVEGCSA-N 1 1 268.288 1.937 20 5 CDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944799 363384287 /nfs/dbraw/zinc/38/42/87/363384287.db2.gz RFWZDJJWMACZRZ-GFCCVEGCSA-N 1 1 277.324 1.505 20 5 CDBDMO CCc1nc(NCCn2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC000286225124 356235048 /nfs/dbraw/zinc/23/50/48/356235048.db2.gz NSEDCYXDWSXLQH-UHFFFAOYSA-N 1 1 276.300 1.564 20 5 CDBDMO CC1(C)C[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000286183005 356229525 /nfs/dbraw/zinc/22/95/25/356229525.db2.gz JIXQMGCDZBHXQS-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO CC1(C)C[N@@H+](CCNc2ccc(N)cc2[N+](=O)[O-])CCO1 ZINC000286183005 356229530 /nfs/dbraw/zinc/22/95/30/356229530.db2.gz JIXQMGCDZBHXQS-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO CCC[N@@H+](CC)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290529871 357212377 /nfs/dbraw/zinc/21/23/77/357212377.db2.gz DCSPLLKPNWWYHP-UHFFFAOYSA-N 1 1 295.343 1.233 20 5 CDBDMO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000365772742 357359338 /nfs/dbraw/zinc/35/93/38/357359338.db2.gz RBTLYHVUFXKUGI-ZIAGYGMSSA-N 1 1 295.383 1.565 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(Cl)c1 ZINC000058155483 357380409 /nfs/dbraw/zinc/38/04/09/357380409.db2.gz OHOMILVAUAHCRP-UHFFFAOYSA-N 1 1 299.758 1.753 20 5 CDBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615362 357560063 /nfs/dbraw/zinc/56/00/63/357560063.db2.gz GFROVFBPSCTIQP-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186536802 357659691 /nfs/dbraw/zinc/65/96/91/357659691.db2.gz HUISSQNJXJAUKL-DRZSPHRISA-N 1 1 280.324 1.392 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000360990405 357767018 /nfs/dbraw/zinc/76/70/18/357767018.db2.gz LFBKUOPAGLXWLA-GFCCVEGCSA-N 1 1 295.387 1.898 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000361257251 358018843 /nfs/dbraw/zinc/01/88/43/358018843.db2.gz GBEYPZZOFIBIQQ-UHFFFAOYSA-N 1 1 278.312 1.674 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748167 358231799 /nfs/dbraw/zinc/23/17/99/358231799.db2.gz NRDBMECUKAUQCL-JTQLQIEISA-N 1 1 250.298 1.940 20 5 CDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384572 /nfs/dbraw/zinc/38/45/72/358384572.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384575 /nfs/dbraw/zinc/38/45/75/358384575.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384578 /nfs/dbraw/zinc/38/45/78/358384578.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 1 1 295.343 1.039 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000408202208 358384581 /nfs/dbraw/zinc/38/45/81/358384581.db2.gz IEIPAIGWCKCUCG-JTQLQIEISA-N 1 1 295.343 1.039 20 5 CDBDMO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000294862982 199220280 /nfs/dbraw/zinc/22/02/80/199220280.db2.gz CIWBQFRLXMLMPD-LLVKDONJSA-N 1 1 280.328 1.249 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000365723481 366469973 /nfs/dbraw/zinc/46/99/73/366469973.db2.gz PALZRWGZMXAYEB-UHFFFAOYSA-N 1 1 294.355 1.684 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000380765657 358892654 /nfs/dbraw/zinc/89/26/54/358892654.db2.gz YRSXBSHXUOHGKN-LBPRGKRZSA-N 1 1 282.340 1.983 20 5 CDBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000159334214 358973925 /nfs/dbraw/zinc/97/39/25/358973925.db2.gz XCGMKDOKRYMMKW-UWVGGRQHSA-N 1 1 281.312 1.234 20 5 CDBDMO Cc1ccnc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450799757 359006254 /nfs/dbraw/zinc/00/62/54/359006254.db2.gz XKSOAGYPONZGFE-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccnc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450799757 359006257 /nfs/dbraw/zinc/00/62/57/359006257.db2.gz XKSOAGYPONZGFE-TXEJJXNPSA-N 1 1 294.355 1.190 20 5 CDBDMO O=[N+]([O-])c1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339134228 359296813 /nfs/dbraw/zinc/29/68/13/359296813.db2.gz SSABEFWWDDWOTN-UHFFFAOYSA-N 1 1 269.264 1.900 20 5 CDBDMO CNC(=O)C1C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000297382745 200170830 /nfs/dbraw/zinc/17/08/30/200170830.db2.gz JSHAJYCEGDGDOU-UHFFFAOYSA-N 1 1 263.297 1.081 20 5 CDBDMO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000351383240 359746034 /nfs/dbraw/zinc/74/60/34/359746034.db2.gz KEBFTESQNIYOIZ-CQSZACIVSA-N 1 1 299.330 1.781 20 5 CDBDMO O=C1NCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050395641 359786019 /nfs/dbraw/zinc/78/60/19/359786019.db2.gz IUXNIUITPMKAIE-LLVKDONJSA-N 1 1 283.715 1.616 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362328513 359762533 /nfs/dbraw/zinc/76/25/33/359762533.db2.gz SPIXGODMMJKCGM-SCZZXKLOSA-N 1 1 284.287 1.698 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362328513 359762535 /nfs/dbraw/zinc/76/25/35/359762535.db2.gz SPIXGODMMJKCGM-SCZZXKLOSA-N 1 1 284.287 1.698 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187338828 359924896 /nfs/dbraw/zinc/92/48/96/359924896.db2.gz FKAKDJBPBYWERL-JTQLQIEISA-N 1 1 294.355 1.637 20 5 CDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000298053845 200324699 /nfs/dbraw/zinc/32/46/99/200324699.db2.gz FPGJLUTVXXVPNO-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000363122552 360139769 /nfs/dbraw/zinc/13/97/69/360139769.db2.gz PTUDEGSOXPEDHE-SNVBAGLBSA-N 1 1 290.327 1.431 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000363122552 360139776 /nfs/dbraw/zinc/13/97/76/360139776.db2.gz PTUDEGSOXPEDHE-SNVBAGLBSA-N 1 1 290.327 1.431 20 5 CDBDMO CN(C(=O)C[N@@H+]1CC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177981464 189083140 /nfs/dbraw/zinc/08/31/40/189083140.db2.gz JXFVTJBUUWBMBS-CQSZACIVSA-N 1 1 293.323 1.014 20 5 CDBDMO CN(C(=O)C[N@H+]1CC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000177981464 189083141 /nfs/dbraw/zinc/08/31/41/189083141.db2.gz JXFVTJBUUWBMBS-CQSZACIVSA-N 1 1 293.323 1.014 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178344650 189108942 /nfs/dbraw/zinc/10/89/42/189108942.db2.gz VWZAKHINNCNAPL-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000408466209 361183392 /nfs/dbraw/zinc/18/33/92/361183392.db2.gz LTFQPCQWARHPRI-RISCZKNCSA-N 1 1 289.335 1.679 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581835180 364040847 /nfs/dbraw/zinc/04/08/47/364040847.db2.gz OSHNTGVQIMOVQQ-SNVBAGLBSA-N 1 1 271.342 1.395 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000581924842 364058126 /nfs/dbraw/zinc/05/81/26/364058126.db2.gz NTOXZWAZEAMLJQ-SNVBAGLBSA-N 1 1 293.323 1.372 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000144287957 364609858 /nfs/dbraw/zinc/60/98/58/364609858.db2.gz MCJFEVZGFSZSPU-VIFPVBQESA-N 1 1 281.337 1.623 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)CCCO ZINC000093323831 365364195 /nfs/dbraw/zinc/36/41/95/365364195.db2.gz OVYYPZMPJJCVHZ-ZZXKWVIFSA-N 1 1 280.324 1.285 20 5 CDBDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075999183 366946287 /nfs/dbraw/zinc/94/62/87/366946287.db2.gz ZBRDXYAIRHOLFD-KBPBESRZSA-N 1 1 296.371 1.664 20 5 CDBDMO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414802762 241396055 /nfs/dbraw/zinc/39/60/55/241396055.db2.gz VWZZGSGKLJLNGS-NEPJUHHUSA-N 1 1 279.340 1.820 20 5 CDBDMO O=C1NCCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562839 369079686 /nfs/dbraw/zinc/07/96/86/369079686.db2.gz OKZSOMWWVYGLPA-VIFPVBQESA-N 1 1 269.326 1.415 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000330907247 203378609 /nfs/dbraw/zinc/37/86/09/203378609.db2.gz NRQKSBWSTPSNNV-IUCAKERBSA-N 1 1 283.353 1.869 20 5 CDBDMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000332733487 204936557 /nfs/dbraw/zinc/93/65/57/204936557.db2.gz WTPLWNHKJIBLOX-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000049095773 372908529 /nfs/dbraw/zinc/90/85/29/372908529.db2.gz IAHDDIDJGXMOKR-SECBINFHSA-N 1 1 269.326 1.480 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000187002256 373183648 /nfs/dbraw/zinc/18/36/48/373183648.db2.gz ATQNICIBCPAFGG-LBPRGKRZSA-N 1 1 280.328 1.028 20 5 CDBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000269644782 373302374 /nfs/dbraw/zinc/30/23/74/373302374.db2.gz DNHKHIQYBAAKNO-CQSZACIVSA-N 1 1 290.323 1.494 20 5 CDBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000272936340 373465717 /nfs/dbraw/zinc/46/57/17/373465717.db2.gz OOPPYUDHOGPZAM-JTQLQIEISA-N 1 1 279.296 1.636 20 5 CDBDMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000272936340 373465724 /nfs/dbraw/zinc/46/57/24/373465724.db2.gz OOPPYUDHOGPZAM-JTQLQIEISA-N 1 1 279.296 1.636 20 5 CDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000298502494 373740248 /nfs/dbraw/zinc/74/02/48/373740248.db2.gz ZGSRYCPFDCYWJV-NSHDSACASA-N 1 1 289.335 1.809 20 5 CDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759067 373761329 /nfs/dbraw/zinc/76/13/29/373761329.db2.gz KBPUEAUDWHSBTN-DMDPSCGWSA-N 1 1 291.355 1.551 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000311732376 374264689 /nfs/dbraw/zinc/26/46/89/374264689.db2.gz QNCODVBHAGZNEU-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000311732376 374264695 /nfs/dbraw/zinc/26/46/95/374264695.db2.gz QNCODVBHAGZNEU-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299088893 374381794 /nfs/dbraw/zinc/38/17/94/374381794.db2.gz FNGWGLCEFBHQEK-UHFFFAOYSA-N 1 1 292.339 1.094 20 5 CDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000429160543 374570339 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O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000126699588 375149314 /nfs/dbraw/zinc/14/93/14/375149314.db2.gz FMNXGLYQHGUWOC-LLVKDONJSA-N 1 1 284.337 1.262 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000132150150 375406558 /nfs/dbraw/zinc/40/65/58/375406558.db2.gz NTHAEOCDNQIZMU-SNVBAGLBSA-N 1 1 284.312 1.295 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352781510 375539375 /nfs/dbraw/zinc/53/93/75/375539375.db2.gz SVUPXUPCJINXRV-DTWKUNHWSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000352781510 375539380 /nfs/dbraw/zinc/53/93/80/375539380.db2.gz SVUPXUPCJINXRV-DTWKUNHWSA-N 1 1 266.301 1.088 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746174 375503922 /nfs/dbraw/zinc/50/39/22/375503922.db2.gz PHQBKLXCQYAFMM-CMPLNLGQSA-N 1 1 250.298 1.798 20 5 CDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc[nH+]1 ZINC000353554036 375623773 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CC(C)CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119746798 390651937 /nfs/dbraw/zinc/65/19/37/390651937.db2.gz XZFUKHGLQIRUCP-ZDUSSCGKSA-N 1 1 282.344 1.538 20 5 CDBDMO COCC[N@@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000178213323 390846111 /nfs/dbraw/zinc/84/61/11/390846111.db2.gz GDMTWMFJJSEKPK-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000178213323 390846114 /nfs/dbraw/zinc/84/61/14/390846114.db2.gz GDMTWMFJJSEKPK-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000051562683 390997550 /nfs/dbraw/zinc/99/75/50/390997550.db2.gz ROOZELYYMKTICR-GFCCVEGCSA-N 1 1 263.297 1.353 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000051562683 390997557 /nfs/dbraw/zinc/99/75/57/390997557.db2.gz ROOZELYYMKTICR-GFCCVEGCSA-N 1 1 263.297 1.353 20 5 CDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413067768 391154076 /nfs/dbraw/zinc/15/40/76/391154076.db2.gz FKAPTNZVCNPGJW-UHFFFAOYSA-N 1 1 254.265 1.635 20 5 CDBDMO C[N@@H+](CCn1cccc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000278537029 391382712 /nfs/dbraw/zinc/38/27/12/391382712.db2.gz JGAQDSCJTHAXRL-UHFFFAOYSA-N 1 1 287.319 1.889 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000521101444 391618919 /nfs/dbraw/zinc/61/89/19/391618919.db2.gz LFTIQGQJENERDJ-NEPJUHHUSA-N 1 1 293.371 1.650 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000290904735 391568634 /nfs/dbraw/zinc/56/86/34/391568634.db2.gz LEJZZKWZHBMSIZ-NSHDSACASA-N 1 1 297.359 1.028 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000341774510 130011612 /nfs/dbraw/zinc/01/16/12/130011612.db2.gz GZJNWDCTWPYONS-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000341774510 130011616 /nfs/dbraw/zinc/01/16/16/130011616.db2.gz GZJNWDCTWPYONS-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189739036 130018100 /nfs/dbraw/zinc/01/81/00/130018100.db2.gz RCWCPIRHAWWVRJ-BXUZGUMPSA-N 1 1 264.325 1.840 20 5 CDBDMO COCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054353678 391830658 /nfs/dbraw/zinc/83/06/58/391830658.db2.gz VDYPAHWNFGVEIR-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590762170 391922318 /nfs/dbraw/zinc/92/23/18/391922318.db2.gz LGAPFHBWZXYWPU-ZWNOBZJWSA-N 1 1 250.298 1.858 20 5 CDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266577034 391996554 /nfs/dbraw/zinc/99/65/54/391996554.db2.gz UMDFOFSKKNWJET-WDEREUQCSA-N 1 1 292.339 1.622 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245799859 131088898 /nfs/dbraw/zinc/08/88/98/131088898.db2.gz PETHYBJMNMLEFF-NXEZZACHSA-N 1 1 281.312 1.234 20 5 CDBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000090794988 392521501 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CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708213 392944142 /nfs/dbraw/zinc/94/41/42/392944142.db2.gz ZSORRPGNMAGQMD-ZDUSSCGKSA-N 1 1 277.324 1.761 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CCO ZINC000430223256 393095458 /nfs/dbraw/zinc/09/54/58/393095458.db2.gz URKHRCCCSVTKRH-GFCCVEGCSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228099660 140190892 /nfs/dbraw/zinc/19/08/92/140190892.db2.gz VMJBHCXTINQJST-IACUBPJLSA-N 1 1 262.309 1.798 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)CC3CC3)nc2c1 ZINC000352448864 155195235 /nfs/dbraw/zinc/19/52/35/155195235.db2.gz JJHNTHVDGRUHRR-UHFFFAOYSA-N 1 1 291.307 1.940 20 5 CDBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000352214510 155028890 /nfs/dbraw/zinc/02/88/90/155028890.db2.gz ZSMHFZFZMWOOBP-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO C[NH+](C)Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000359173810 158149497 /nfs/dbraw/zinc/14/94/97/158149497.db2.gz GXSYNXVCPZLZDR-UHFFFAOYSA-N 1 1 290.279 1.897 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912239 160326675 /nfs/dbraw/zinc/32/66/75/160326675.db2.gz NVTHVDTZMUJCMV-FZMZJTMJSA-N 1 1 289.335 1.761 20 5 CDBDMO COCC[NH+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000060992446 292488790 /nfs/dbraw/zinc/48/87/90/292488790.db2.gz LLCWIGVYXCHKQZ-UHFFFAOYSA-N 1 1 268.313 1.690 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960752 170309889 /nfs/dbraw/zinc/30/98/89/170309889.db2.gz NPKOIUBWEGZBEA-ZDUSSCGKSA-N 1 1 277.324 1.809 20 5 CDBDMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000020479259 171221958 /nfs/dbraw/zinc/22/19/58/171221958.db2.gz MMXYHZQHQFADGL-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285159037 196210532 /nfs/dbraw/zinc/21/05/32/196210532.db2.gz YEXPLAVJQNWRDL-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO CC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285411597 196276322 /nfs/dbraw/zinc/27/63/22/196276322.db2.gz UVFVTZANNIMFOQ-LBPRGKRZSA-N 1 1 252.314 1.840 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285426478 196281385 /nfs/dbraw/zinc/28/13/85/196281385.db2.gz DXZHETHQMJHHSU-ZLKJLUDKSA-N 1 1 280.324 1.656 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1OCCO1 ZINC000285455127 196289725 /nfs/dbraw/zinc/28/97/25/196289725.db2.gz YVUHKJQJRQMJSZ-UHFFFAOYSA-N 1 1 280.324 1.832 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285481326 196299166 /nfs/dbraw/zinc/29/91/66/196299166.db2.gz LGGSRDHKAQNBIL-UHFFFAOYSA-N 1 1 266.297 1.430 20 5 CDBDMO CC(C)(CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000285620321 196346178 /nfs/dbraw/zinc/34/61/78/196346178.db2.gz MROBTXICJNQRMU-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723132 175237390 /nfs/dbraw/zinc/23/73/90/175237390.db2.gz DEPVNZUTPUZGBX-GFCCVEGCSA-N 1 1 291.351 1.930 20 5 CDBDMO COc1ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723132 175237392 /nfs/dbraw/zinc/23/73/92/175237392.db2.gz DEPVNZUTPUZGBX-GFCCVEGCSA-N 1 1 291.351 1.930 20 5 CDBDMO Cc1c(CNC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000045107538 175307901 /nfs/dbraw/zinc/30/79/01/175307901.db2.gz MTTNHEJNVPCPGB-SNVBAGLBSA-N 1 1 251.330 1.943 20 5 CDBDMO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC001590047351 1173240411 /nfs/dbraw/zinc/24/04/11/1173240411.db2.gz WKVRVRRFQSUPJE-SECBINFHSA-N 1 1 276.300 1.136 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)nc1 ZINC000278487829 275036473 /nfs/dbraw/zinc/03/64/73/275036473.db2.gz GVVPUGYAPZQLPV-UHFFFAOYSA-N 1 1 274.284 1.040 20 5 CDBDMO CC(C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049442374 279175130 /nfs/dbraw/zinc/17/51/30/279175130.db2.gz WGTHBQRQUGCPBO-UHFFFAOYSA-N 1 1 265.313 1.782 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554856886 290195275 /nfs/dbraw/zinc/19/52/75/290195275.db2.gz CXWDWMHPDRLQBN-JTQLQIEISA-N 1 1 295.343 1.264 20 5 CDBDMO Cc1cnc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255906 302352734 /nfs/dbraw/zinc/35/27/34/302352734.db2.gz ZEWGPTDUEZJBEF-YPMHNXCESA-N 1 1 276.340 1.829 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632976 323344183 /nfs/dbraw/zinc/34/41/83/323344183.db2.gz KEGFJFMHSWGDNQ-SNVBAGLBSA-N 1 1 293.327 1.453 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338428644 519623778 /nfs/dbraw/zinc/62/37/78/519623778.db2.gz XBIAEQSQEMTWKC-UHFFFAOYSA-N 1 1 265.313 1.665 20 5 CDBDMO C[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594980 524786813 /nfs/dbraw/zinc/78/68/13/524786813.db2.gz AINKNSQERYPVEA-QMMMGPOBSA-N 1 1 264.285 1.284 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594980 524786823 /nfs/dbraw/zinc/78/68/23/524786823.db2.gz AINKNSQERYPVEA-QMMMGPOBSA-N 1 1 264.285 1.284 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052812809 525578836 /nfs/dbraw/zinc/57/88/36/525578836.db2.gz AKWUXRGVMYAMQD-SNVBAGLBSA-N 1 1 262.313 1.947 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000049568880 527678949 /nfs/dbraw/zinc/67/89/49/527678949.db2.gz ZRDDQAKGZIGYRS-GHMZBOCLSA-N 1 1 279.344 1.675 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)C(C)C ZINC000426953134 536886242 /nfs/dbraw/zinc/88/62/42/536886242.db2.gz FNAQJHALOUYGTD-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cn1 ZINC000742428009 574421280 /nfs/dbraw/zinc/42/12/80/574421280.db2.gz XPNQVEXTBIUAQN-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1cc(NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000771204773 575557145 /nfs/dbraw/zinc/55/71/45/575557145.db2.gz ZGQACLOGSOCNBH-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000768528298 576293597 /nfs/dbraw/zinc/29/35/97/576293597.db2.gz XMKOYOANBBOYAS-MNOVXSKESA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000746004977 576750686 /nfs/dbraw/zinc/75/06/86/576750686.db2.gz ZLWKFAVXZLUJAF-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000746004977 576750687 /nfs/dbraw/zinc/75/06/87/576750687.db2.gz ZLWKFAVXZLUJAF-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO COC(C)(C)C[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000758406545 577105692 /nfs/dbraw/zinc/10/56/92/577105692.db2.gz ZPDLSUWGEPFSFA-UHFFFAOYSA-N 1 1 270.333 1.722 20 5 CDBDMO COC(C)(C)C[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000758406545 577105694 /nfs/dbraw/zinc/10/56/94/577105694.db2.gz ZPDLSUWGEPFSFA-UHFFFAOYSA-N 1 1 270.333 1.722 20 5 CDBDMO CCC[N@@H+](CC)CCNc1c([N+](=O)[O-])cnn1C ZINC000892772220 617727128 /nfs/dbraw/zinc/72/71/28/617727128.db2.gz UHOFDEMISTVXEY-UHFFFAOYSA-N 1 1 255.322 1.472 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCCC1(C)C ZINC000894130885 618608961 /nfs/dbraw/zinc/60/89/61/618608961.db2.gz LKWHOGBEDFOGQI-UHFFFAOYSA-N 1 1 267.333 1.615 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000928557104 619368775 /nfs/dbraw/zinc/36/87/75/619368775.db2.gz ZWNFLRLBHDHHFX-JTQLQIEISA-N 1 1 281.287 1.097 20 5 CDBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928571918 619420325 /nfs/dbraw/zinc/42/03/25/619420325.db2.gz DZFLLJBYJMRZSP-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928571918 619420327 /nfs/dbraw/zinc/42/03/27/619420327.db2.gz DZFLLJBYJMRZSP-NSHDSACASA-N 1 1 263.297 1.337 20 5 CDBDMO CC(C)Oc1nc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895769568 619836003 /nfs/dbraw/zinc/83/60/03/619836003.db2.gz UFOVIGCIQKDFDL-SNVBAGLBSA-N 1 1 280.328 1.893 20 5 CDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769947 619836466 /nfs/dbraw/zinc/83/64/66/619836466.db2.gz WNVHCCWDESPIDG-VIFPVBQESA-N 1 1 294.311 1.201 20 5 CDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769947 619836469 /nfs/dbraw/zinc/83/64/69/619836469.db2.gz WNVHCCWDESPIDG-VIFPVBQESA-N 1 1 294.311 1.201 20 5 CDBDMO Cc1nn(C)c(NCCNc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000896459681 620105204 /nfs/dbraw/zinc/10/52/04/620105204.db2.gz OUMNSOQUBOUZFY-UHFFFAOYSA-N 1 1 290.327 1.864 20 5 CDBDMO [NH3+]CC(F)(F)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841059930 621608041 /nfs/dbraw/zinc/60/80/41/621608041.db2.gz MUGCZIXDLJJBEO-UHFFFAOYSA-N 1 1 279.674 1.932 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1csc(Br)c1 ZINC000899871552 622496765 /nfs/dbraw/zinc/49/67/65/622496765.db2.gz SDNKXHYPRLFCAG-UHFFFAOYSA-N 1 1 265.132 1.877 20 5 CDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000899873986 622500002 /nfs/dbraw/zinc/50/00/02/622500002.db2.gz XAIXMSPGGFDYNE-JSGCOSHPSA-N 1 1 263.341 1.688 20 5 CDBDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000899873986 622500006 /nfs/dbraw/zinc/50/00/06/622500006.db2.gz XAIXMSPGGFDYNE-JSGCOSHPSA-N 1 1 263.341 1.688 20 5 CDBDMO O=[N+]([O-])CCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000905036329 626378076 /nfs/dbraw/zinc/37/80/76/626378076.db2.gz RJIDRRVOBQXMHI-CQSZACIVSA-N 1 1 263.341 1.517 20 5 CDBDMO O=[N+]([O-])CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000905036329 626378077 /nfs/dbraw/zinc/37/80/77/626378077.db2.gz RJIDRRVOBQXMHI-CQSZACIVSA-N 1 1 263.341 1.517 20 5 CDBDMO C[N@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483251 632221811 /nfs/dbraw/zinc/22/18/11/632221811.db2.gz CDXMAEINFIUJMV-SNVBAGLBSA-N 1 1 250.302 1.763 20 5 CDBDMO CCOC(=O)C1=C(N=c2[nH]cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170515704 1162721626 /nfs/dbraw/zinc/72/16/26/1162721626.db2.gz MUXAIXYVYCMKQU-UHFFFAOYSA-N 1 1 292.295 1.212 20 5 CDBDMO CCOC(=O)C1=C(Nc2ncccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170515704 1162721632 /nfs/dbraw/zinc/72/16/32/1162721632.db2.gz MUXAIXYVYCMKQU-UHFFFAOYSA-N 1 1 292.295 1.212 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000808230050 1162826541 /nfs/dbraw/zinc/82/65/41/1162826541.db2.gz GARUHUDHANOVPR-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000808230050 1162826552 /nfs/dbraw/zinc/82/65/52/1162826552.db2.gz GARUHUDHANOVPR-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC001157691423 1162287306 /nfs/dbraw/zinc/28/73/06/1162287306.db2.gz PMJLUQIPXBVYLY-PHIMTYICSA-N 1 1 294.330 1.907 20 5 CDBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H](C)C[N@H+]1C ZINC001164640731 719169906 /nfs/dbraw/zinc/16/99/06/719169906.db2.gz VQKICMSQCNPADU-ZJUUUORDSA-N 1 1 250.302 1.519 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@@](C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000794672185 1164529262 /nfs/dbraw/zinc/52/92/62/1164529262.db2.gz HKGBKANYMGWLII-CYBMUJFWSA-N 1 1 282.344 1.603 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@](C)(O)CC2)c(C)c1[N+](=O)[O-] ZINC000794672185 1164529268 /nfs/dbraw/zinc/52/92/68/1164529268.db2.gz HKGBKANYMGWLII-CYBMUJFWSA-N 1 1 282.344 1.603 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC000865905646 1164706965 /nfs/dbraw/zinc/70/69/65/1164706965.db2.gz RASVIEIAACSTEQ-NEPJUHHUSA-N 1 1 276.340 1.686 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000877592056 1166063884 /nfs/dbraw/zinc/06/38/84/1166063884.db2.gz KRQHCYIZIVQFKQ-IUODEOHRSA-N 1 1 294.351 1.387 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000878812590 1166253092 /nfs/dbraw/zinc/25/30/92/1166253092.db2.gz QYCZHVNGPAWXSA-DTORHVGOSA-N 1 1 272.255 1.297 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CCc3[nH+]ccn3CC2)n1 ZINC001167177989 894810492 /nfs/dbraw/zinc/81/04/92/894810492.db2.gz GSBQESKOWVQZDE-UHFFFAOYSA-N 1 1 259.269 1.249 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830530383 936462927 /nfs/dbraw/zinc/46/29/27/936462927.db2.gz ZHKMEFURPFEYRQ-LSDHHAIUSA-N 1 1 294.351 1.987 20 5 CDBDMO CC(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050519908 936560800 /nfs/dbraw/zinc/56/08/00/936560800.db2.gz LVVOYNOOADLEGA-CHWSQXEVSA-N 1 1 295.383 1.232 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827674468 936603325 /nfs/dbraw/zinc/60/33/25/936603325.db2.gz IUIOZIGCIREYMN-WDEREUQCSA-N 1 1 271.361 1.373 20 5 CDBDMO CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035707835 923033687 /nfs/dbraw/zinc/03/36/87/923033687.db2.gz RKUXCYRUARZOKY-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000840087492 936937378 /nfs/dbraw/zinc/93/73/78/936937378.db2.gz SZOSFUIZPVXYIC-ZDUSSCGKSA-N 1 1 279.344 1.167 20 5 CDBDMO CC[N@H+]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277725 926525650 /nfs/dbraw/zinc/52/56/50/926525650.db2.gz OGXXHUYJPIEVGQ-HNNXBMFYSA-N 1 1 293.367 1.656 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310455 927271443 /nfs/dbraw/zinc/27/14/43/927271443.db2.gz MGCJMLWYZZDGJQ-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712310455 927271455 /nfs/dbraw/zinc/27/14/55/927271455.db2.gz MGCJMLWYZZDGJQ-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCN2CCCCC2)C1 ZINC001168976700 927563186 /nfs/dbraw/zinc/56/31/86/927563186.db2.gz FMGKAXRCGNLDCX-KBPBESRZSA-N 1 1 269.389 1.897 20 5 CDBDMO CCOC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1 ZINC001168955499 927577032 /nfs/dbraw/zinc/57/70/32/927577032.db2.gz AXYGQSQRSZEYOK-NWDGAFQWSA-N 1 1 284.356 1.897 20 5 CDBDMO CCOC(=O)C(F)(F)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974644 927598376 /nfs/dbraw/zinc/59/83/76/927598376.db2.gz RQMXYTNRMNIAQW-BDAKNGLRSA-N 1 1 280.271 1.220 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011941 927616647 /nfs/dbraw/zinc/61/66/47/927616647.db2.gz NUTKESCHIWKQJE-UPJWGTAASA-N 1 1 256.346 1.933 20 5 CDBDMO 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CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172978298 377793221 /nfs/dbraw/zinc/79/32/21/377793221.db2.gz RHQMMZMRDYYWAR-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000232790550 378020409 /nfs/dbraw/zinc/02/04/09/378020409.db2.gz KAZMHXQGWFCITQ-UHFFFAOYSA-N 1 1 286.353 1.508 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000266945310 378880846 /nfs/dbraw/zinc/88/08/46/378880846.db2.gz RMAXLOYZIYACOU-JTQLQIEISA-N 1 1 252.318 1.912 20 5 CDBDMO COC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444651558 250160896 /nfs/dbraw/zinc/16/08/96/250160896.db2.gz PDGMDAPHBXZLFE-SNVBAGLBSA-N 1 1 290.323 1.939 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444651558 250160900 /nfs/dbraw/zinc/16/09/00/250160900.db2.gz PDGMDAPHBXZLFE-SNVBAGLBSA-N 1 1 290.323 1.939 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173787623 379219791 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CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000490286188 253033951 /nfs/dbraw/zinc/03/39/51/253033951.db2.gz KGDVAHBIKYLNAR-JTQLQIEISA-N 1 1 281.312 1.600 20 5 CDBDMO COCCOCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289062600 197224965 /nfs/dbraw/zinc/22/49/65/197224965.db2.gz RHAFVTJJFOUQPL-CQSZACIVSA-N 1 1 298.339 1.223 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000288848458 197178493 /nfs/dbraw/zinc/17/84/93/197178493.db2.gz JRBIGTPALHWUJA-UHFFFAOYSA-N 1 1 280.372 1.890 20 5 CDBDMO CN(CCCNc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000288848458 197178495 /nfs/dbraw/zinc/17/84/95/197178495.db2.gz JRBIGTPALHWUJA-UHFFFAOYSA-N 1 1 280.372 1.890 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288305759 197047631 /nfs/dbraw/zinc/04/76/31/197047631.db2.gz HGMQTBZEJJZYKT-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288305759 197047633 /nfs/dbraw/zinc/04/76/33/197047633.db2.gz HGMQTBZEJJZYKT-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413110776 391157896 /nfs/dbraw/zinc/15/78/96/391157896.db2.gz OQSDGNPIEBVQPE-UHFFFAOYSA-N 1 1 256.281 1.881 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114712 391161446 /nfs/dbraw/zinc/16/14/46/391161446.db2.gz FHZKZAZQBWGEMP-MRVPVSSYSA-N 1 1 254.265 1.493 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000190333782 391375000 /nfs/dbraw/zinc/37/50/00/391375000.db2.gz WYGVPARGQQQKDT-BDAKNGLRSA-N 1 1 270.358 1.828 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261408 391570932 /nfs/dbraw/zinc/57/09/32/391570932.db2.gz PNCZZPOOUKLYHX-CYBMUJFWSA-N 1 1 279.296 1.356 20 5 CDBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000192567901 391683218 /nfs/dbraw/zinc/68/32/18/391683218.db2.gz IFJBRMUKYKHXPG-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000266237278 391688353 /nfs/dbraw/zinc/68/83/53/391688353.db2.gz VXBOLTDDYJUTMG-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000266237278 391688357 /nfs/dbraw/zinc/68/83/57/391688357.db2.gz VXBOLTDDYJUTMG-GFCCVEGCSA-N 1 1 294.355 1.455 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000191721318 130285999 /nfs/dbraw/zinc/28/59/99/130285999.db2.gz UCJXVNAEDVYOTG-PWSUYJOCSA-N 1 1 250.298 1.655 20 5 CDBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000353201095 391900435 /nfs/dbraw/zinc/90/04/35/391900435.db2.gz LNHINCSZDZBLLM-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000353201095 391900441 /nfs/dbraw/zinc/90/04/41/391900441.db2.gz LNHINCSZDZBLLM-LLVKDONJSA-N 1 1 295.339 1.808 20 5 CDBDMO CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000488053064 392212890 /nfs/dbraw/zinc/21/28/90/392212890.db2.gz OEHCYGKERJEMKV-ZDUSSCGKSA-N 1 1 281.360 1.063 20 5 CDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774457 392726306 /nfs/dbraw/zinc/72/63/06/392726306.db2.gz YNMAHYSWSOVYKC-TUAOUCFPSA-N 1 1 293.371 1.495 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000266945311 131802131 /nfs/dbraw/zinc/80/21/31/131802131.db2.gz RMAXLOYZIYACOU-SNVBAGLBSA-N 1 1 252.318 1.912 20 5 CDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524720438 392917857 /nfs/dbraw/zinc/91/78/57/392917857.db2.gz QNGOOSYWFRVHNS-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO CC(C)(N)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282969 392960385 /nfs/dbraw/zinc/96/03/85/392960385.db2.gz DQCARVNFSBOIIR-MNOVXSKESA-N 1 1 281.360 1.602 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429577722 393083218 /nfs/dbraw/zinc/08/32/18/393083218.db2.gz GICFPEYMBWNJFB-WZRBSPASSA-N 1 1 282.344 1.273 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000429793168 393086414 /nfs/dbraw/zinc/08/64/14/393086414.db2.gz VHUKCJQMKUIVGC-RYUDHWBXSA-N 1 1 295.387 1.490 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000430204924 393092849 /nfs/dbraw/zinc/09/28/49/393092849.db2.gz SLOCZTRDPYCQSM-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000430204924 393092853 /nfs/dbraw/zinc/09/28/53/393092853.db2.gz SLOCZTRDPYCQSM-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430273232 393094768 /nfs/dbraw/zinc/09/47/68/393094768.db2.gz MHHYOVISPZXUGY-CQSZACIVSA-N 1 1 295.314 1.692 20 5 CDBDMO CN(CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430540586 393100867 /nfs/dbraw/zinc/10/08/67/393100867.db2.gz AETKWJTXUGDHLV-UHFFFAOYSA-N 1 1 281.356 1.890 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1O ZINC000426220513 393040410 /nfs/dbraw/zinc/04/04/10/393040410.db2.gz QJNKOXAEMZZRIN-VXGBXAGGSA-N 1 1 268.317 1.027 20 5 CDBDMO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278734247 393142579 /nfs/dbraw/zinc/14/25/79/393142579.db2.gz LCMVESWHAWOCQM-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO CC(=O)[C@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332735386 393156189 /nfs/dbraw/zinc/15/61/89/393156189.db2.gz UUKSQWKNDJFMGF-CQSZACIVSA-N 1 1 278.308 1.293 20 5 CDBDMO CC(=O)[C@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332735386 393156192 /nfs/dbraw/zinc/15/61/92/393156192.db2.gz UUKSQWKNDJFMGF-CQSZACIVSA-N 1 1 278.308 1.293 20 5 CDBDMO Cc1c(NC(=O)[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000299487725 393196998 /nfs/dbraw/zinc/19/69/98/393196998.db2.gz ISLPCDPWHJKNNJ-LBPRGKRZSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000299487725 393197000 /nfs/dbraw/zinc/19/70/00/393197000.db2.gz ISLPCDPWHJKNNJ-LBPRGKRZSA-N 1 1 263.297 1.936 20 5 CDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193569079 140146637 /nfs/dbraw/zinc/14/66/37/140146637.db2.gz GBZZOVVQWDKXAN-QPUJVOFHSA-N 1 1 297.742 1.862 20 5 CDBDMO COC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251905452 140315966 /nfs/dbraw/zinc/31/59/66/140315966.db2.gz RHHBDBFHYXYGQM-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251905452 140315969 /nfs/dbraw/zinc/31/59/69/140315969.db2.gz RHHBDBFHYXYGQM-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000262061307 149006563 /nfs/dbraw/zinc/00/65/63/149006563.db2.gz RQXGJLXLXKAHBA-ZDUSSCGKSA-N 1 1 295.343 1.081 20 5 CDBDMO CCOC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549683 155264796 /nfs/dbraw/zinc/26/47/96/155264796.db2.gz FPWQBSHYEKRUKW-CYBMUJFWSA-N 1 1 282.340 1.467 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352665605 155336417 /nfs/dbraw/zinc/33/64/17/155336417.db2.gz FTWWAAKYSUNIRL-WCQYABFASA-N 1 1 280.324 1.819 20 5 CDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343455655 152185838 /nfs/dbraw/zinc/18/58/38/152185838.db2.gz USHUZRDKAWLDSJ-ZWNOBZJWSA-N 1 1 292.339 1.511 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352203365 155019870 /nfs/dbraw/zinc/01/98/70/155019870.db2.gz REYIKICUORPUAA-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO COC(=O)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355556049 157116941 /nfs/dbraw/zinc/11/69/41/157116941.db2.gz PYTBCRWFUFAQSB-UHFFFAOYSA-N 1 1 298.343 1.349 20 5 CDBDMO COC(=O)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355556049 157116943 /nfs/dbraw/zinc/11/69/43/157116943.db2.gz PYTBCRWFUFAQSB-UHFFFAOYSA-N 1 1 298.343 1.349 20 5 CDBDMO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CC1 ZINC000355784298 157232850 /nfs/dbraw/zinc/23/28/50/157232850.db2.gz JGXLKZCRSBPQGI-UHFFFAOYSA-N 1 1 252.318 1.950 20 5 CDBDMO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000301336192 274032103 /nfs/dbraw/zinc/03/21/03/274032103.db2.gz CYILWWWVEAQFAW-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO CCN[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423389661 276270497 /nfs/dbraw/zinc/27/04/97/276270497.db2.gz VKQMCUSCLMANOD-JHJVBQTASA-N 1 1 295.387 1.863 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195316706 280078392 /nfs/dbraw/zinc/07/83/92/280078392.db2.gz JDUOMCCSUFFGRB-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000225225735 280096774 /nfs/dbraw/zinc/09/67/74/280096774.db2.gz UQQXBQCWKSZWBD-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000225225735 280096778 /nfs/dbraw/zinc/09/67/78/280096778.db2.gz UQQXBQCWKSZWBD-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343418132 280105933 /nfs/dbraw/zinc/10/59/33/280105933.db2.gz BCNMMORPJRQPQP-JQWIXIFHSA-N 1 1 277.324 1.807 20 5 CDBDMO CCc1[nH+]ccn1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000158662688 289314464 /nfs/dbraw/zinc/31/44/64/289314464.db2.gz YBSBJQUWBXLEMD-UHFFFAOYSA-N 1 1 274.280 1.501 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000576441174 317138062 /nfs/dbraw/zinc/13/80/62/317138062.db2.gz FSPXTWLLIFPSFR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104051 324104192 /nfs/dbraw/zinc/10/41/92/324104192.db2.gz JMJVQQOUEYYVNN-NSHDSACASA-N 1 1 279.340 1.766 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775425 332025252 /nfs/dbraw/zinc/02/52/52/332025252.db2.gz KXTXUSSEQREMJD-PSASIEDQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775425 332025253 /nfs/dbraw/zinc/02/52/53/332025253.db2.gz KXTXUSSEQREMJD-PSASIEDQSA-N 1 1 256.327 1.859 20 5 CDBDMO Nc1cc(N)[nH+]c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC000789749859 1162104274 /nfs/dbraw/zinc/10/42/74/1162104274.db2.gz KADLJQFTJMNRBV-ARJAWSKDSA-N 1 1 279.281 1.905 20 5 CDBDMO C[N@H+]1CCC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431796 523837270 /nfs/dbraw/zinc/83/72/70/523837270.db2.gz VYSAMLCWYHBXJX-CQSZACIVSA-N 1 1 293.371 1.209 20 5 CDBDMO CC[NH2+]CC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000269203682 535456869 /nfs/dbraw/zinc/45/68/69/535456869.db2.gz YSZMYYSNPBYTNY-UHFFFAOYSA-N 1 1 295.343 1.088 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000732183875 575082757 /nfs/dbraw/zinc/08/27/57/575082757.db2.gz ULLPDBGATRAGTK-JTQLQIEISA-N 1 1 262.269 1.831 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000732183875 575082759 /nfs/dbraw/zinc/08/27/59/575082759.db2.gz ULLPDBGATRAGTK-JTQLQIEISA-N 1 1 262.269 1.831 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC3(C2)CCOCC3)c(C)c1[N+](=O)[O-] ZINC000743405856 576638294 /nfs/dbraw/zinc/63/82/94/576638294.db2.gz PXSXDDWBOAPMOX-UHFFFAOYSA-N 1 1 294.355 1.868 20 5 CDBDMO Cc1nn(C[N@H+]2CCC3(C2)CCOCC3)c(C)c1[N+](=O)[O-] ZINC000743405856 576638296 /nfs/dbraw/zinc/63/82/96/576638296.db2.gz PXSXDDWBOAPMOX-UHFFFAOYSA-N 1 1 294.355 1.868 20 5 CDBDMO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000747986375 576891621 /nfs/dbraw/zinc/89/16/21/576891621.db2.gz MHMCZUFWGXJPMO-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000747986375 576891622 /nfs/dbraw/zinc/89/16/22/576891622.db2.gz MHMCZUFWGXJPMO-NSHDSACASA-N 1 1 293.323 1.136 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000755921939 576968441 /nfs/dbraw/zinc/96/84/41/576968441.db2.gz JPMGOFHWXPBMAC-LDYMZIIASA-N 1 1 296.327 1.107 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000755921939 576968443 /nfs/dbraw/zinc/96/84/43/576968443.db2.gz JPMGOFHWXPBMAC-LDYMZIIASA-N 1 1 296.327 1.107 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756997981 577019430 /nfs/dbraw/zinc/01/94/30/577019430.db2.gz JEGGTMZFATWEIX-VIFPVBQESA-N 1 1 297.742 1.816 20 5 CDBDMO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000892674493 617581028 /nfs/dbraw/zinc/58/10/28/617581028.db2.gz WBWBOKZSYOUOPH-RKDXNWHRSA-N 1 1 253.306 1.223 20 5 CDBDMO CCOc1cc(C[N@@H+]2CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000934014388 617844119 /nfs/dbraw/zinc/84/41/19/617844119.db2.gz MCZKHVWPPHFCID-NSHDSACASA-N 1 1 266.297 1.560 20 5 CDBDMO CCOc1cc(C[N@H+]2CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000934014388 617844120 /nfs/dbraw/zinc/84/41/20/617844120.db2.gz MCZKHVWPPHFCID-NSHDSACASA-N 1 1 266.297 1.560 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941942 618206236 /nfs/dbraw/zinc/20/62/36/618206236.db2.gz XPBGCGXBULUPAU-RKDXNWHRSA-N 1 1 293.352 1.444 20 5 CDBDMO C[N@H+]1C[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941935 618206244 /nfs/dbraw/zinc/20/62/44/618206244.db2.gz XPBGCGXBULUPAU-DTWKUNHWSA-N 1 1 293.352 1.444 20 5 CDBDMO O=[N+]([O-])CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000791053071 618742469 /nfs/dbraw/zinc/74/24/69/618742469.db2.gz SIANIRPZRNUSKC-DAXSKMNVSA-N 1 1 275.352 1.594 20 5 CDBDMO CC[N@H+](C[C@@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000738084101 619867676 /nfs/dbraw/zinc/86/76/76/619867676.db2.gz YTBCYOQNIUAOHA-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000738084101 619867678 /nfs/dbraw/zinc/86/76/78/619867678.db2.gz YTBCYOQNIUAOHA-JTQLQIEISA-N 1 1 254.290 1.107 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](F)C1 ZINC000902995977 625758304 /nfs/dbraw/zinc/75/83/04/625758304.db2.gz QAAVDLZZJXYGHL-VXGBXAGGSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC000902995977 625758309 /nfs/dbraw/zinc/75/83/09/625758309.db2.gz QAAVDLZZJXYGHL-VXGBXAGGSA-N 1 1 298.314 1.768 20 5 CDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905219940 626698422 /nfs/dbraw/zinc/69/84/22/626698422.db2.gz VHJJMDUILKFCQL-OAHLLOKOSA-N 1 1 277.368 1.763 20 5 CDBDMO CN(Cc1ccccc1)[C@H](C[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905219940 626698425 /nfs/dbraw/zinc/69/84/25/626698425.db2.gz VHJJMDUILKFCQL-OAHLLOKOSA-N 1 1 277.368 1.763 20 5 CDBDMO C[N@H+]1CCC[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000917321975 632197708 /nfs/dbraw/zinc/19/77/08/632197708.db2.gz XHLJETXLHQKOGO-VIFPVBQESA-N 1 1 271.704 1.504 20 5 CDBDMO Cc1cnc(N2CC([N@H+](C)[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001158726938 1163493936 /nfs/dbraw/zinc/49/39/36/1163493936.db2.gz VBSSLKZMPYSMNO-NSHDSACASA-N 1 1 292.339 1.208 20 5 CDBDMO CC[N@H+](CC(=O)NC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876577806 1165875002 /nfs/dbraw/zinc/87/50/02/1165875002.db2.gz PRRVOJSAUYGSMC-UHFFFAOYSA-N 1 1 279.340 1.780 20 5 CDBDMO CC[N@@H+](CC(=O)NC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876577806 1165875007 /nfs/dbraw/zinc/87/50/07/1165875007.db2.gz PRRVOJSAUYGSMC-UHFFFAOYSA-N 1 1 279.340 1.780 20 5 CDBDMO COc1ccc(N[C@H]2CC[N@@H+](C)C2)nc1[N+](=O)[O-] ZINC001167270403 895008124 /nfs/dbraw/zinc/00/81/24/895008124.db2.gz TXOGGJFGWMOHKW-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO Cc1cc(Cl)c(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167365351 895441631 /nfs/dbraw/zinc/44/16/31/895441631.db2.gz RCQKNUGAGWMXSI-UHFFFAOYSA-N 1 1 293.714 1.680 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1Br ZINC001227137394 906074038 /nfs/dbraw/zinc/07/40/38/906074038.db2.gz IGIIKLFOBQMWPD-ZETCQYMHSA-O 1 1 291.169 1.418 20 5 CDBDMO O=C(NCC[NH2+]Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936833 909932869 /nfs/dbraw/zinc/93/28/69/909932869.db2.gz TTWQKTNIAGUBBV-VXGBXAGGSA-N 1 1 297.742 1.211 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC001117647356 921937526 /nfs/dbraw/zinc/93/75/26/921937526.db2.gz BLTYMJSVHFYNKA-NSHDSACASA-N 1 1 266.345 1.861 20 5 CDBDMO NCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956638 927576758 /nfs/dbraw/zinc/57/67/58/927576758.db2.gz CBZLWWZQJURPFT-LSDHHAIUSA-N 1 1 277.368 1.893 20 5 CDBDMO Cc1ncc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169010241 927614654 /nfs/dbraw/zinc/61/46/54/927614654.db2.gz BRMAYLZVDWKPBD-VXGBXAGGSA-N 1 1 264.329 1.453 20 5 CDBDMO CC(C)[C@H]1COCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041634 927653031 /nfs/dbraw/zinc/65/30/31/927653031.db2.gz BSDNSWHOFIBNET-RWMBFGLXSA-N 1 1 256.346 1.789 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050103 927669613 /nfs/dbraw/zinc/66/96/13/927669613.db2.gz YMHYLTWSUJONCT-REWJHTLYSA-N 1 1 267.373 1.315 20 5 CDBDMO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169050103 927669619 /nfs/dbraw/zinc/66/96/19/927669619.db2.gz YMHYLTWSUJONCT-REWJHTLYSA-N 1 1 267.373 1.315 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054266 927671822 /nfs/dbraw/zinc/67/18/22/927671822.db2.gz LKHSZSHRFHZMNS-REWJHTLYSA-N 1 1 268.357 1.933 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056329 927672143 /nfs/dbraw/zinc/67/21/43/927672143.db2.gz RVJXZZXNDGCNCA-FPYNETTCSA-N 1 1 282.340 1.458 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001156658161 928893938 /nfs/dbraw/zinc/89/39/38/928893938.db2.gz GUKZXDWLQRRHGV-GFCCVEGCSA-N 1 1 258.281 1.899 20 5 CDBDMO COc1cc(C(=O)OCC[NH+]2CCC2)c([N+](=O)[O-])cc1F ZINC000861391673 929291441 /nfs/dbraw/zinc/29/14/41/929291441.db2.gz XHMZJGUATOMTRV-UHFFFAOYSA-N 1 1 298.270 1.605 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497404 937633568 /nfs/dbraw/zinc/63/35/68/937633568.db2.gz SOBHTCFHXFLHSV-GFCCVEGCSA-N 1 1 267.285 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001118497404 937633570 /nfs/dbraw/zinc/63/35/70/937633570.db2.gz SOBHTCFHXFLHSV-GFCCVEGCSA-N 1 1 267.285 1.238 20 5 CDBDMO Nc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC001120798697 937836783 /nfs/dbraw/zinc/83/67/83/937836783.db2.gz OVCDUPLPSCRWKQ-SECBINFHSA-N 1 1 277.328 1.468 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001120959048 937850022 /nfs/dbraw/zinc/85/00/22/937850022.db2.gz FBZFNKQSLRNOPE-QMTHXVAHSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC001120959048 937850026 /nfs/dbraw/zinc/85/00/26/937850026.db2.gz FBZFNKQSLRNOPE-QMTHXVAHSA-N 1 1 293.371 1.223 20 5 CDBDMO C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC001120959048 937850028 /nfs/dbraw/zinc/85/00/28/937850028.db2.gz FBZFNKQSLRNOPE-QMTHXVAHSA-N 1 1 293.371 1.223 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156591041 938390548 /nfs/dbraw/zinc/39/05/48/938390548.db2.gz RYGFWHZOXFEXCE-LBPRGKRZSA-N 1 1 291.351 1.973 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001156649549 938401129 /nfs/dbraw/zinc/40/11/29/938401129.db2.gz YFAOPTBVMBBFAK-ZCFIWIBFSA-N 1 1 257.681 1.102 20 5 CDBDMO COc1cc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266646 938472636 /nfs/dbraw/zinc/47/26/36/938472636.db2.gz VRSGURSMRGHPQM-CMPLNLGQSA-N 1 1 292.339 1.529 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001159743171 938748894 /nfs/dbraw/zinc/74/88/94/938748894.db2.gz GGQVPUUOADSCCY-NSHDSACASA-N 1 1 254.290 1.076 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162341179 939030725 /nfs/dbraw/zinc/03/07/25/939030725.db2.gz JOULPQZECDGZBT-CYBMUJFWSA-N 1 1 295.343 1.598 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2c[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001165278951 939539683 /nfs/dbraw/zinc/53/96/83/939539683.db2.gz OEOYZDNPLIFFRV-LLVKDONJSA-N 1 1 280.328 1.372 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226785226 942070003 /nfs/dbraw/zinc/07/00/03/942070003.db2.gz LXYWOAWMJPJWHQ-ZETCQYMHSA-O 1 1 268.366 1.115 20 5 CDBDMO COC(=O)c1cccc(O[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001227894238 942241308 /nfs/dbraw/zinc/24/13/08/942241308.db2.gz LQJOEPNKHIMKDL-JTQLQIEISA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnccc1[N+](=O)[O-])C2 ZINC001228879499 942387636 /nfs/dbraw/zinc/38/76/36/942387636.db2.gz HEOXTBBMSOBHNC-URLYPYJESA-N 1 1 263.297 1.994 20 5 CDBDMO Cc1nc2[nH]cnc2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001229438879 942473575 /nfs/dbraw/zinc/47/35/75/942473575.db2.gz YSEHJLFBQVGIFH-QMMMGPOBSA-N 1 1 250.326 1.135 20 5 CDBDMO Cc1nccc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001234905519 943970469 /nfs/dbraw/zinc/97/04/69/943970469.db2.gz PIMATWWZZNIUEJ-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C)C(=O)C1 ZINC001254563250 947524211 /nfs/dbraw/zinc/52/42/11/947524211.db2.gz VNUBRCCZBZEXGO-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C)C(=O)C1 ZINC001254563250 947524223 /nfs/dbraw/zinc/52/42/23/947524223.db2.gz VNUBRCCZBZEXGO-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@](F)(CO)C1)C2 ZINC001254596284 947546317 /nfs/dbraw/zinc/54/63/17/947546317.db2.gz CEDSDOVAMHRGAS-KGLIPLIRSA-N 1 1 280.299 1.468 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@](F)(CO)C1)C2 ZINC001254596284 947546324 /nfs/dbraw/zinc/54/63/24/947546324.db2.gz CEDSDOVAMHRGAS-KGLIPLIRSA-N 1 1 280.299 1.468 20 5 CDBDMO CC[C@H](N)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246315651 948102895 /nfs/dbraw/zinc/10/28/95/948102895.db2.gz UYVVLEKVXOUVMD-JQWIXIFHSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246315651 948102898 /nfs/dbraw/zinc/10/28/98/948102898.db2.gz UYVVLEKVXOUVMD-JQWIXIFHSA-N 1 1 251.330 1.853 20 5 CDBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001332730303 957695989 /nfs/dbraw/zinc/69/59/89/957695989.db2.gz PVIWVNDGTURXFW-WDEREUQCSA-N 1 1 287.360 1.498 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318102623 957919747 /nfs/dbraw/zinc/91/97/47/957919747.db2.gz GHNTYHHOUQZILV-SNVBAGLBSA-N 1 1 278.312 1.233 20 5 CDBDMO Cc1cc(F)cc(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC001336557981 960395275 /nfs/dbraw/zinc/39/52/75/960395275.db2.gz GBHHLAUNKNVYAB-UHFFFAOYSA-N 1 1 265.248 1.746 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1 ZINC001324174113 961213715 /nfs/dbraw/zinc/21/37/15/961213715.db2.gz PIQPVZRZMOJOFJ-UHFFFAOYSA-N 1 1 266.232 1.846 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1C[C@@H](F)[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001358429779 969735893 /nfs/dbraw/zinc/73/58/93/969735893.db2.gz ZBVUHQPOWMDGOO-LOWVWBTDSA-N 1 1 299.277 1.287 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001515580857 969903049 /nfs/dbraw/zinc/90/30/49/969903049.db2.gz HROQSNIWWUTIBG-SECBINFHSA-N 1 1 265.317 1.102 20 5 CDBDMO C[C@H]1C(=O)NCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601124306 342471539 /nfs/dbraw/zinc/47/15/39/342471539.db2.gz DEENYZVFYCFNNZ-VIFPVBQESA-N 1 1 286.291 1.468 20 5 CDBDMO COC[C@@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601115366 342471844 /nfs/dbraw/zinc/47/18/44/342471844.db2.gz GLXSKBRBZSVYJY-AWEZNQCLSA-N 1 1 291.307 1.374 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]2C1 ZINC000601184701 342489296 /nfs/dbraw/zinc/48/92/96/342489296.db2.gz MECWFQKFYGARPP-MNOVXSKESA-N 1 1 262.313 1.378 20 5 CDBDMO C[C@H](C[S@@](C)=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601140943 342479969 /nfs/dbraw/zinc/47/99/69/342479969.db2.gz DNDTZLROOQSFQI-GSDQLPOLSA-N 1 1 293.348 1.744 20 5 CDBDMO Cc1cnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879181 342516070 /nfs/dbraw/zinc/51/60/70/342516070.db2.gz DMEVRYDVVKWKKX-CQSZACIVSA-N 1 1 276.340 1.830 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599199228 343979195 /nfs/dbraw/zinc/97/91/95/343979195.db2.gz HMYYNBQTEOHQAW-VIFPVBQESA-N 1 1 286.719 1.122 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000599199228 343979196 /nfs/dbraw/zinc/97/91/96/343979196.db2.gz HMYYNBQTEOHQAW-VIFPVBQESA-N 1 1 286.719 1.122 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(NCC[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000599199807 343979627 /nfs/dbraw/zinc/97/96/27/343979627.db2.gz QWMJLUSKPADDBX-VIFPVBQESA-N 1 1 287.266 1.352 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(NCC[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000599199807 343979629 /nfs/dbraw/zinc/97/96/29/343979629.db2.gz QWMJLUSKPADDBX-VIFPVBQESA-N 1 1 287.266 1.352 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000027565556 342545796 /nfs/dbraw/zinc/54/57/96/342545796.db2.gz MNXWJNIIQSWQLE-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000027565556 342545797 /nfs/dbraw/zinc/54/57/97/342545797.db2.gz MNXWJNIIQSWQLE-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074772812 341998981 /nfs/dbraw/zinc/99/89/81/341998981.db2.gz YDNCVFVGSBGARA-LBPRGKRZSA-N 1 1 293.371 1.496 20 5 CDBDMO C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083126835 342048919 /nfs/dbraw/zinc/04/89/19/342048919.db2.gz BVCDOJHNYWJYIN-UHFFFAOYSA-N 1 1 276.296 1.483 20 5 CDBDMO C[N@@H+](CCc1c[nH]nn1)Cc1ccccc1[N+](=O)[O-] ZINC000590602684 342577943 /nfs/dbraw/zinc/57/79/43/342577943.db2.gz NEZOOLNDKQGWTN-UHFFFAOYSA-N 1 1 261.285 1.387 20 5 CDBDMO C[N@H+](CCc1cn[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC000590602684 342577945 /nfs/dbraw/zinc/57/79/45/342577945.db2.gz NEZOOLNDKQGWTN-UHFFFAOYSA-N 1 1 261.285 1.387 20 5 CDBDMO C[N@@H+](CCc1cn[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC000590602684 342577946 /nfs/dbraw/zinc/57/79/46/342577946.db2.gz NEZOOLNDKQGWTN-UHFFFAOYSA-N 1 1 261.285 1.387 20 5 CDBDMO O=[N+]([O-])c1cccc(CNc2[nH+]cnc3[nH]ccc32)c1 ZINC000608885376 342082929 /nfs/dbraw/zinc/08/29/29/342082929.db2.gz LQMDGVMIWIMUQZ-UHFFFAOYSA-N 1 1 269.264 1.900 20 5 CDBDMO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595409368 343050753 /nfs/dbraw/zinc/05/07/53/343050753.db2.gz WPKFKZBRAIZFJV-UFBFGSQYSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595409368 343050754 /nfs/dbraw/zinc/05/07/54/343050754.db2.gz WPKFKZBRAIZFJV-UFBFGSQYSA-N 1 1 254.261 1.547 20 5 CDBDMO CO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595513035 343082125 /nfs/dbraw/zinc/08/21/25/343082125.db2.gz RPAYJOJSUACZQI-NXEZZACHSA-N 1 1 269.301 1.794 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000235743401 362075793 /nfs/dbraw/zinc/07/57/93/362075793.db2.gz ARVKNBSGWAWQJG-ZDUSSCGKSA-N 1 1 297.742 1.946 20 5 CDBDMO O=c1[nH]ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596082409 343220392 /nfs/dbraw/zinc/22/03/92/343220392.db2.gz JTKBBPQOGXRBRT-ZJUUUORDSA-N 1 1 278.312 1.734 20 5 CDBDMO COCC[N@@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596105130 343227982 /nfs/dbraw/zinc/22/79/82/343227982.db2.gz PDXRHZLZCHHAKN-UHFFFAOYSA-N 1 1 273.358 1.955 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596093140 343234527 /nfs/dbraw/zinc/23/45/27/343234527.db2.gz SJGLFWYMXYMDHZ-SNVBAGLBSA-N 1 1 280.328 1.838 20 5 CDBDMO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596220989 343270575 /nfs/dbraw/zinc/27/05/75/343270575.db2.gz GHRCNOFMNAIJFJ-UHFFFAOYSA-N 1 1 299.396 1.858 20 5 CDBDMO Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596220989 343270576 /nfs/dbraw/zinc/27/05/76/343270576.db2.gz GHRCNOFMNAIJFJ-UHFFFAOYSA-N 1 1 299.396 1.858 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596571736 343352709 /nfs/dbraw/zinc/35/27/09/343352709.db2.gz ZKWXFHKSXHSBHH-GFCCVEGCSA-N 1 1 293.371 1.862 20 5 CDBDMO Cc1noc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000598648371 343857078 /nfs/dbraw/zinc/85/70/78/343857078.db2.gz NKCOPVODJXDRAE-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CC(C)(C)CC[C@H]2CO)c1[N+](=O)[O-] ZINC000598648371 343857079 /nfs/dbraw/zinc/85/70/79/343857079.db2.gz NKCOPVODJXDRAE-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000601976928 344305659 /nfs/dbraw/zinc/30/56/59/344305659.db2.gz QKFKPIVYXGQQNR-PHIMTYICSA-N 1 1 266.272 1.812 20 5 CDBDMO C[C@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343516068 362491435 /nfs/dbraw/zinc/49/14/35/362491435.db2.gz KNIUTDNPKHPKBK-WCQYABFASA-N 1 1 291.351 1.736 20 5 CDBDMO Cc1nn(CCc2c[nH+]cn2C)c2ncc([N+](=O)[O-])cc12 ZINC000603328630 344776363 /nfs/dbraw/zinc/77/63/63/344776363.db2.gz SPACBYNBIISQQV-UHFFFAOYSA-N 1 1 286.295 1.624 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000537610118 282374358 /nfs/dbraw/zinc/37/43/58/282374358.db2.gz DPTUMYVCPHMXLB-MFKMUULPSA-N 1 1 292.339 1.100 20 5 CDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293409594 362558689 /nfs/dbraw/zinc/55/86/89/362558689.db2.gz MJQKKYJEJUQFMB-BETUJISGSA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072712798 345355506 /nfs/dbraw/zinc/35/55/06/345355506.db2.gz OXRGEBCPMXDMSP-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO CN(C(=O)C[N@@H+](C)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000609894940 346037279 /nfs/dbraw/zinc/03/72/79/346037279.db2.gz QRAGLMAYLWKLIF-UHFFFAOYSA-N 1 1 295.339 1.260 20 5 CDBDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000611134772 346617577 /nfs/dbraw/zinc/61/75/77/346617577.db2.gz PQQUZQCOJZIPII-UHFFFAOYSA-N 1 1 258.281 1.983 20 5 CDBDMO CC[N@H+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254124 346721363 /nfs/dbraw/zinc/72/13/63/346721363.db2.gz CWIUVNGBLVJKOY-UHFFFAOYSA-N 1 1 296.323 1.834 20 5 CDBDMO CC[N@@H+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254124 346721365 /nfs/dbraw/zinc/72/13/65/346721365.db2.gz CWIUVNGBLVJKOY-UHFFFAOYSA-N 1 1 296.323 1.834 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccco1 ZINC000611442700 346788164 /nfs/dbraw/zinc/78/81/64/346788164.db2.gz HPWILCHTORWUND-UHFFFAOYSA-N 1 1 264.285 1.825 20 5 CDBDMO C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273448183 192154013 /nfs/dbraw/zinc/15/40/13/192154013.db2.gz KOAWPCWPUWYOBE-UHFFFAOYSA-N 1 1 282.275 1.513 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000090548926 180001532 /nfs/dbraw/zinc/00/15/32/180001532.db2.gz DAFFSBHRIRPEGL-UHFFFAOYSA-N 1 1 265.313 1.488 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000091490858 180169965 /nfs/dbraw/zinc/16/99/65/180169965.db2.gz CABVSYVRMWVKND-UHFFFAOYSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@H]1C[C@H]([NH3+])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000124624196 351359412 /nfs/dbraw/zinc/35/94/12/351359412.db2.gz GZHVSWXGLBPOAC-WCQYABFASA-N 1 1 263.341 1.949 20 5 CDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351628244 366056499 /nfs/dbraw/zinc/05/64/99/366056499.db2.gz LUNCFKARVJTYDY-NEPJUHHUSA-N 1 1 282.344 1.274 20 5 CDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000292026139 198137810 /nfs/dbraw/zinc/13/78/10/198137810.db2.gz XDBRSXHAPAVOLX-LLVKDONJSA-N 1 1 297.359 1.026 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000153783505 188103698 /nfs/dbraw/zinc/10/36/98/188103698.db2.gz WAILIRJPWDARAI-UHFFFAOYSA-N 1 1 292.295 1.855 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279821138 363308571 /nfs/dbraw/zinc/30/85/71/363308571.db2.gz QMSUXYQVLNCSNB-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279821138 363308578 /nfs/dbraw/zinc/30/85/78/363308578.db2.gz QMSUXYQVLNCSNB-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047312 356476201 /nfs/dbraw/zinc/47/62/01/356476201.db2.gz LANIVWDKOSOVMP-ZDUSSCGKSA-N 1 1 283.303 1.521 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000048336238 356547030 /nfs/dbraw/zinc/54/70/30/356547030.db2.gz DGSHZIVYDKFVHS-JTQLQIEISA-N 1 1 262.313 1.886 20 5 CDBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1c([N+](=O)[O-])ncn1C ZINC000360944980 357758481 /nfs/dbraw/zinc/75/84/81/357758481.db2.gz BLSXKGYASJNBPB-QMMMGPOBSA-N 1 1 265.273 1.199 20 5 CDBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000192463143 358204791 /nfs/dbraw/zinc/20/47/91/358204791.db2.gz ZNDZQZBJQTXYBH-BETUJISGSA-N 1 1 289.335 1.537 20 5 CDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193419969 358293554 /nfs/dbraw/zinc/29/35/54/358293554.db2.gz OPDNWCQNJHFXQH-LLVKDONJSA-N 1 1 293.371 1.225 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000230873352 358796491 /nfs/dbraw/zinc/79/64/91/358796491.db2.gz RXKCRSLTFSSALK-VIFPVBQESA-N 1 1 253.306 1.527 20 5 CDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836179 358837954 /nfs/dbraw/zinc/83/79/54/358837954.db2.gz FYFUVYQAAYWIFJ-WDEREUQCSA-N 1 1 250.298 1.798 20 5 CDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847987 359085131 /nfs/dbraw/zinc/08/51/31/359085131.db2.gz JJAMOIOZLIEJPY-OLZOCXBDSA-N 1 1 294.355 1.681 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000048335489 359200739 /nfs/dbraw/zinc/20/07/39/359200739.db2.gz UODODWGFXBQRNT-SNVBAGLBSA-N 1 1 296.323 1.844 20 5 CDBDMO COC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051855697 359303914 /nfs/dbraw/zinc/30/39/14/359303914.db2.gz UIFBGDITCLDCQP-UHFFFAOYSA-N 1 1 293.323 1.280 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339057573 359282952 /nfs/dbraw/zinc/28/29/52/359282952.db2.gz RMJPZGLTCKNYFS-LDYMZIIASA-N 1 1 252.270 1.256 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112926514 359366769 /nfs/dbraw/zinc/36/67/69/359366769.db2.gz SKUWGGLMQNMROZ-CMDGGOBGSA-N 1 1 277.324 1.676 20 5 CDBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346381 359392179 /nfs/dbraw/zinc/39/21/79/359392179.db2.gz UBQLFRFPYIGQOS-ZYHUDNBSSA-N 1 1 282.344 1.454 20 5 CDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346381 359392183 /nfs/dbraw/zinc/39/21/83/359392183.db2.gz UBQLFRFPYIGQOS-ZYHUDNBSSA-N 1 1 282.344 1.454 20 5 CDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227652019 359580992 /nfs/dbraw/zinc/58/09/92/359580992.db2.gz VRSQBUIXQIKNSI-JTQLQIEISA-N 1 1 299.762 1.301 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227652019 359580995 /nfs/dbraw/zinc/58/09/95/359580995.db2.gz VRSQBUIXQIKNSI-JTQLQIEISA-N 1 1 299.762 1.301 20 5 CDBDMO Cc1c(C[N@@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340217852 359612082 /nfs/dbraw/zinc/61/20/82/359612082.db2.gz DQEVTFZBESXNJH-GFCCVEGCSA-N 1 1 263.297 1.224 20 5 CDBDMO Cc1c(C[N@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340217852 359612084 /nfs/dbraw/zinc/61/20/84/359612084.db2.gz DQEVTFZBESXNJH-GFCCVEGCSA-N 1 1 263.297 1.224 20 5 CDBDMO COCC(COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000388393630 359841247 /nfs/dbraw/zinc/84/12/47/359841247.db2.gz FGCWDNDQKJJQPT-UHFFFAOYSA-N 1 1 288.731 1.999 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385753001 359916337 /nfs/dbraw/zinc/91/63/37/359916337.db2.gz DHSARZXIEJGSJE-WCQYABFASA-N 1 1 264.325 1.840 20 5 CDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+](CCO)CCO ZINC000075714295 359938761 /nfs/dbraw/zinc/93/87/61/359938761.db2.gz ZEDQTGDFRHFGAV-UHFFFAOYSA-N 1 1 298.339 1.169 20 5 CDBDMO C[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297976306 200311620 /nfs/dbraw/zinc/31/16/20/200311620.db2.gz VTYUCRKYHGKFRI-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO CN1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297976306 200311622 /nfs/dbraw/zinc/31/16/22/200311622.db2.gz VTYUCRKYHGKFRI-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO CN1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297976306 200311623 /nfs/dbraw/zinc/31/16/23/200311623.db2.gz VTYUCRKYHGKFRI-UHFFFAOYSA-N 1 1 279.340 1.611 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(CO)CO ZINC000135917547 360174750 /nfs/dbraw/zinc/17/47/50/360174750.db2.gz BTWWBKSUDDWEML-UHFFFAOYSA-N 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CCC[N@@H+](CC)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174643550 379548260 /nfs/dbraw/zinc/54/82/60/379548260.db2.gz LXBARIKSADIFDB-UHFFFAOYSA-N 1 1 297.359 1.030 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819789 195395745 /nfs/dbraw/zinc/39/57/45/195395745.db2.gz WUPZKWAOPDTHKE-PWSUYJOCSA-N 1 1 268.317 1.291 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451424969 390619198 /nfs/dbraw/zinc/61/91/98/390619198.db2.gz SYYAZAAFDRUDRI-YNEHKIRRSA-N 1 1 294.355 1.417 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000413309575 391196601 /nfs/dbraw/zinc/19/66/01/391196601.db2.gz BQLBFRSMZNLYSM-PHIMTYICSA-N 1 1 296.302 1.404 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000266326215 391714052 /nfs/dbraw/zinc/71/40/52/391714052.db2.gz GEPXAZYZRAKUQV-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H]([N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1(C)CC1 ZINC000090552066 391911790 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CCOC(=O)CC(C)(C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343886056 152340244 /nfs/dbraw/zinc/34/02/44/152340244.db2.gz ILYGJSSVEXZZMI-UHFFFAOYSA-N 1 1 298.343 1.455 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352700803 155376812 /nfs/dbraw/zinc/37/68/12/155376812.db2.gz UYIZHFVVPWEJRQ-UONOGXRCSA-N 1 1 264.325 1.983 20 5 CDBDMO CCc1ccc(-c2nc(C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000349918218 154270607 /nfs/dbraw/zinc/27/06/07/154270607.db2.gz CMODLIZILYPBPU-UHFFFAOYSA-N 1 1 262.269 1.927 20 5 CDBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)O ZINC000352186318 155005042 /nfs/dbraw/zinc/00/50/42/155005042.db2.gz KZQVRQSNIIDSOF-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000354006127 156220288 /nfs/dbraw/zinc/22/02/88/156220288.db2.gz KRYRSVMFHPFFJV-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355670262 157176666 /nfs/dbraw/zinc/17/66/66/157176666.db2.gz JMJGYAJPGSLWNG-VOKGJARPSA-N 1 1 289.335 1.805 20 5 CDBDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000362980688 159283087 /nfs/dbraw/zinc/28/30/87/159283087.db2.gz QUTWWGVKCLBHKQ-MDZLAQPJSA-N 1 1 291.351 1.970 20 5 CDBDMO O=[N+]([O-])c1cccnc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371628223 160034308 /nfs/dbraw/zinc/03/43/08/160034308.db2.gz LNIGUYBELYINMD-PHIMTYICSA-N 1 1 295.364 1.945 20 5 CDBDMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000061569691 273666700 /nfs/dbraw/zinc/66/67/00/273666700.db2.gz QBZSELQDULFTCP-UHFFFAOYSA-N 1 1 277.324 1.939 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000110560067 273699382 /nfs/dbraw/zinc/69/93/82/273699382.db2.gz VRTSWYKFBURJGK-UHFFFAOYSA-N 1 1 297.330 1.892 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559802 274335221 /nfs/dbraw/zinc/33/52/21/274335221.db2.gz BIZCKMONUAWHGO-MWLCHTKSSA-N 1 1 265.317 1.161 20 5 CDBDMO CC[N@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265148789 276165267 /nfs/dbraw/zinc/16/52/67/276165267.db2.gz AVISKPHKCDLGOS-UHFFFAOYSA-N 1 1 264.329 1.830 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192482539 277197548 /nfs/dbraw/zinc/19/75/48/277197548.db2.gz WRIOSURLNVDMHE-AOOOYVTPSA-N 1 1 293.298 1.368 20 5 CDBDMO C[C@@H]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000422633556 278006142 /nfs/dbraw/zinc/00/61/42/278006142.db2.gz ILWNRCCFAGBVMT-WOPDTQHZSA-N 1 1 281.360 1.097 20 5 CDBDMO CC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552107 279279335 /nfs/dbraw/zinc/27/93/35/279279335.db2.gz ULPOUZVRMIHGGA-LLVKDONJSA-N 1 1 265.313 1.488 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000295249186 280164032 /nfs/dbraw/zinc/16/40/32/280164032.db2.gz QCVKSUXVAGAOHM-ZDUSSCGKSA-N 1 1 299.277 1.508 20 5 CDBDMO COC(C)(C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533023487 282077206 /nfs/dbraw/zinc/07/72/06/282077206.db2.gz DWPKBAUVKKHVQH-UHFFFAOYSA-N 1 1 295.339 1.890 20 5 CDBDMO COC(C)(C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533023487 282077207 /nfs/dbraw/zinc/07/72/07/282077207.db2.gz DWPKBAUVKKHVQH-UHFFFAOYSA-N 1 1 295.339 1.890 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000564341343 293346904 /nfs/dbraw/zinc/34/69/04/293346904.db2.gz BGBKMAVKNRYNJX-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO C[N@H+]1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160105 316150487 /nfs/dbraw/zinc/15/04/87/316150487.db2.gz LJKCVNSQHJPGDR-SECBINFHSA-N 1 1 289.295 1.383 20 5 CDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122186 323383342 /nfs/dbraw/zinc/38/33/42/323383342.db2.gz KSGJAMAUXNEQMV-WYRIXSBYSA-N 1 1 284.381 1.836 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000580047976 324350216 /nfs/dbraw/zinc/35/02/16/324350216.db2.gz FVJCFYQLSSVGPX-KCJUWKMLSA-N 1 1 266.276 1.269 20 5 CDBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000580143463 324377148 /nfs/dbraw/zinc/37/71/48/324377148.db2.gz XIKYARVMXARTEY-RYUDHWBXSA-N 1 1 291.351 1.766 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338585494 527372730 /nfs/dbraw/zinc/37/27/30/527372730.db2.gz RMOVEFGNXLCUGI-CYBMUJFWSA-N 1 1 284.287 1.380 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338585494 527372736 /nfs/dbraw/zinc/37/27/36/527372736.db2.gz RMOVEFGNXLCUGI-CYBMUJFWSA-N 1 1 284.287 1.380 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288555442 529134744 /nfs/dbraw/zinc/13/47/44/529134744.db2.gz TUGSFXHVUWUPGH-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288555442 529134746 /nfs/dbraw/zinc/13/47/46/529134746.db2.gz TUGSFXHVUWUPGH-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CCO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932971988 617426431 /nfs/dbraw/zinc/42/64/31/617426431.db2.gz NWUWTXLLIKVEGW-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO CCO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932971988 617426435 /nfs/dbraw/zinc/42/64/35/617426435.db2.gz NWUWTXLLIKVEGW-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000893710442 617912552 /nfs/dbraw/zinc/91/25/52/617912552.db2.gz GHAPKENWEJMJRD-KOLCDFICSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000893710442 617912555 /nfs/dbraw/zinc/91/25/55/617912555.db2.gz GHAPKENWEJMJRD-KOLCDFICSA-N 1 1 296.323 1.512 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000928566134 619403046 /nfs/dbraw/zinc/40/30/46/619403046.db2.gz PIURPCMAPKMVOM-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000928566134 619403048 /nfs/dbraw/zinc/40/30/48/619403048.db2.gz PIURPCMAPKMVOM-SECBINFHSA-N 1 1 267.260 1.168 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895250051 619490869 /nfs/dbraw/zinc/49/08/69/619490869.db2.gz ZVCSEJRMWFXSEU-SKDRFNHKSA-N 1 1 297.334 1.175 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885984013 678710819 /nfs/dbraw/zinc/71/08/19/678710819.db2.gz VRWMPVJYWSADHC-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNCC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000905133055 626647364 /nfs/dbraw/zinc/64/73/64/626647364.db2.gz OTWUDNPJIBABAE-AAEUAGOBSA-N 1 1 283.397 1.997 20 5 CDBDMO C[NH+]1CCN(c2ccc(NCC[N+](=O)[O-])cc2Cl)CC1 ZINC000905313143 626743872 /nfs/dbraw/zinc/74/38/72/626743872.db2.gz MMZFUKIVXASVGA-UHFFFAOYSA-N 1 1 298.774 1.780 20 5 CDBDMO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839561757 678065714 /nfs/dbraw/zinc/06/57/14/678065714.db2.gz XGGVCYNVOLOJMP-QJPTWQEYSA-N 1 1 271.361 1.278 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000886043681 678086313 /nfs/dbraw/zinc/08/63/13/678086313.db2.gz HVICBGOGRZHMJY-RYUDHWBXSA-N 1 1 295.364 1.696 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000886043681 678086319 /nfs/dbraw/zinc/08/63/19/678086319.db2.gz HVICBGOGRZHMJY-RYUDHWBXSA-N 1 1 295.364 1.696 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1F ZINC000718175907 677724112 /nfs/dbraw/zinc/72/41/12/677724112.db2.gz YHODJMJJKAUAHA-PHIMTYICSA-N 1 1 266.272 1.812 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886216175 677845616 /nfs/dbraw/zinc/84/56/16/677845616.db2.gz YOBIZMFKPFXBOL-ZYHUDNBSSA-N 1 1 262.313 1.126 20 5 CDBDMO Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840669705 677968111 /nfs/dbraw/zinc/96/81/11/677968111.db2.gz IOGDQHKRSZJLHH-GHMZBOCLSA-N 1 1 267.285 1.180 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1CN1CCn2cc[nH+]c21 ZINC000931527455 678044226 /nfs/dbraw/zinc/04/42/26/678044226.db2.gz PFGBDYGOQALDRB-UHFFFAOYSA-N 1 1 262.244 1.951 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830348432 678047612 /nfs/dbraw/zinc/04/76/12/678047612.db2.gz GDGPACGPJBMAQG-DGCLKSJQSA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000929679667 678089483 /nfs/dbraw/zinc/08/94/83/678089483.db2.gz ICBORSLFQRRFAI-LLVKDONJSA-N 1 1 275.312 1.185 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000929679667 678089486 /nfs/dbraw/zinc/08/94/86/678089486.db2.gz ICBORSLFQRRFAI-LLVKDONJSA-N 1 1 275.312 1.185 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(Cn3nccc3[N+](=O)[O-])CC[C@@H]21 ZINC000164754456 678157846 /nfs/dbraw/zinc/15/78/46/678157846.db2.gz HBHNNMFBTHPEDP-NEPJUHHUSA-N 1 1 279.344 1.165 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886188204 678278799 /nfs/dbraw/zinc/27/87/99/678278799.db2.gz MWNFXMDSURYAKY-ZYHUDNBSSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886188204 678278802 /nfs/dbraw/zinc/27/88/02/678278802.db2.gz MWNFXMDSURYAKY-ZYHUDNBSSA-N 1 1 265.313 1.989 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000879529504 678295161 /nfs/dbraw/zinc/29/51/61/678295161.db2.gz QCBMEJJXJKNTEO-TXEJJXNPSA-N 1 1 262.313 1.689 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778141722 678333280 /nfs/dbraw/zinc/33/32/80/678333280.db2.gz UBMNLQVSOGQVNF-UHFFFAOYSA-N 1 1 290.279 1.539 20 5 CDBDMO O=c1ccccn1C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930340879 678333920 /nfs/dbraw/zinc/33/39/20/678333920.db2.gz PHBMWDUHDWTNKU-CQSZACIVSA-N 1 1 287.319 1.456 20 5 CDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819059958 678350887 /nfs/dbraw/zinc/35/08/87/678350887.db2.gz JGFAEQPIMGZECP-SMDDNHRTSA-N 1 1 281.356 1.558 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000881845178 678395962 /nfs/dbraw/zinc/39/59/62/678395962.db2.gz GYVBJSVYCJYCHC-QMMMGPOBSA-N 1 1 266.276 1.778 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000158930579 678469394 /nfs/dbraw/zinc/46/93/94/678469394.db2.gz FITRANKWPVMWEN-VHSXEESVSA-N 1 1 292.339 1.390 20 5 CDBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000886249696 678694285 /nfs/dbraw/zinc/69/42/85/678694285.db2.gz QXTHWUTTWGMEBD-GFCCVEGCSA-N 1 1 292.339 1.479 20 5 CDBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000886249696 678694289 /nfs/dbraw/zinc/69/42/89/678694289.db2.gz QXTHWUTTWGMEBD-GFCCVEGCSA-N 1 1 292.339 1.479 20 5 CDBDMO CO[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885984013 678710815 /nfs/dbraw/zinc/71/08/15/678710815.db2.gz VRWMPVJYWSADHC-LLVKDONJSA-N 1 1 251.286 1.601 20 5 CDBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000823055719 678732958 /nfs/dbraw/zinc/73/29/58/678732958.db2.gz RQUZINXSMLIZDI-SNVBAGLBSA-N 1 1 271.361 1.421 20 5 CDBDMO CCOCC[N@@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583129 678912373 /nfs/dbraw/zinc/91/23/73/678912373.db2.gz XFSTVHLIXRWMBE-CQSZACIVSA-N 1 1 282.340 1.987 20 5 CDBDMO C[C@H]1C[C@@H](C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000890343180 678940982 /nfs/dbraw/zinc/94/09/82/678940982.db2.gz PNEQDLXUTWOYDQ-QWRGUYRKSA-N 1 1 292.339 1.683 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000829593562 678956133 /nfs/dbraw/zinc/95/61/33/678956133.db2.gz QJDJQGZABNQFCZ-YUELXQCFSA-N 1 1 292.335 1.739 20 5 CDBDMO C[C@@H](CN)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349985 678959258 /nfs/dbraw/zinc/95/92/58/678959258.db2.gz BKJDLDOWOIIRJT-VIFPVBQESA-N 1 1 298.318 1.342 20 5 CDBDMO C[C@@H](CN)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843349985 678959259 /nfs/dbraw/zinc/95/92/59/678959259.db2.gz BKJDLDOWOIIRJT-VIFPVBQESA-N 1 1 298.318 1.342 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ncncc3C2)cc1 ZINC000880595656 678962526 /nfs/dbraw/zinc/96/25/26/678962526.db2.gz UBYJUYCKXMEKAR-UHFFFAOYSA-N 1 1 284.319 1.986 20 5 CDBDMO CCOC(=O)CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000848501674 678985714 /nfs/dbraw/zinc/98/57/14/678985714.db2.gz LREDVIVFWAYSPL-UHFFFAOYSA-N 1 1 284.316 1.412 20 5 CDBDMO CCOC(=O)CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000848501674 678985717 /nfs/dbraw/zinc/98/57/17/678985717.db2.gz LREDVIVFWAYSPL-UHFFFAOYSA-N 1 1 284.316 1.412 20 5 CDBDMO CC[C@@H]([NH3+])c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823093193 678992846 /nfs/dbraw/zinc/99/28/46/678992846.db2.gz BAOHNSUQJCJMJS-ZCFIWIBFSA-N 1 1 266.261 1.097 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000791053093 679000068 /nfs/dbraw/zinc/00/00/68/679000068.db2.gz HYPJQPJHMWMERJ-UHFFFAOYSA-N 1 1 252.270 1.514 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000791053093 679000071 /nfs/dbraw/zinc/00/00/71/679000071.db2.gz HYPJQPJHMWMERJ-UHFFFAOYSA-N 1 1 252.270 1.514 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928569705 679115060 /nfs/dbraw/zinc/11/50/60/679115060.db2.gz OGADBSYIXSRINC-NSHDSACASA-N 1 1 289.291 1.775 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000928569705 679115063 /nfs/dbraw/zinc/11/50/63/679115063.db2.gz OGADBSYIXSRINC-NSHDSACASA-N 1 1 289.291 1.775 20 5 CDBDMO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000851854222 679132143 /nfs/dbraw/zinc/13/21/43/679132143.db2.gz RAOAMDNTTKXKHR-LBPRGKRZSA-N 1 1 285.300 1.713 20 5 CDBDMO C[NH+](C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839771994 679135605 /nfs/dbraw/zinc/13/56/05/679135605.db2.gz YASXUJVSJMCHKD-FRRDWIJNSA-N 1 1 295.314 1.210 20 5 CDBDMO CN1CC[N@H+](Cc2cccnc2[N+](=O)[O-])Cc2cccnc21 ZINC000886310641 679150984 /nfs/dbraw/zinc/15/09/84/679150984.db2.gz QPWHMCKYVHJQGT-UHFFFAOYSA-N 1 1 299.334 1.837 20 5 CDBDMO CN1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])Cc2cccnc21 ZINC000886310641 679150986 /nfs/dbraw/zinc/15/09/86/679150986.db2.gz QPWHMCKYVHJQGT-UHFFFAOYSA-N 1 1 299.334 1.837 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812328508 679182184 /nfs/dbraw/zinc/18/21/84/679182184.db2.gz DLWLGGROFPOWTD-OLZOCXBDSA-N 1 1 289.335 1.619 20 5 CDBDMO C[N@@H+](CCCF)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000887136503 679434987 /nfs/dbraw/zinc/43/49/87/679434987.db2.gz VPHOZYNUBKPBEJ-LBPRGKRZSA-N 1 1 286.303 1.626 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812331195 679448882 /nfs/dbraw/zinc/44/88/82/679448882.db2.gz CWLPTYFLHVPXJG-OLZOCXBDSA-N 1 1 289.335 1.619 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)o1 ZINC000843237738 679543838 /nfs/dbraw/zinc/54/38/38/679543838.db2.gz FFRUMGGTTZEXLF-QMMMGPOBSA-N 1 1 294.267 1.506 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632748 679634246 /nfs/dbraw/zinc/63/42/46/679634246.db2.gz RDRVAZGHNFOKAN-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccon2)c1 ZINC000819129493 679656203 /nfs/dbraw/zinc/65/62/03/679656203.db2.gz KCXMWBHLGZFXOI-LBPRGKRZSA-N 1 1 263.253 1.406 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309857 1173347957 /nfs/dbraw/zinc/34/79/57/1173347957.db2.gz QVNNCAJMPHSFCR-IUCAKERBSA-N 1 1 288.311 1.615 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630970 719152711 /nfs/dbraw/zinc/15/27/11/719152711.db2.gz LPECWWVWVIPVDZ-YUMQZZPRSA-N 1 1 285.735 1.567 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001164630970 719152716 /nfs/dbraw/zinc/15/27/16/719152716.db2.gz LPECWWVWVIPVDZ-YUMQZZPRSA-N 1 1 285.735 1.567 20 5 CDBDMO Cc1[nH+]ccn1CCNc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001156010590 1167285147 /nfs/dbraw/zinc/28/51/47/1167285147.db2.gz LXEMSIWVBFZFKE-UHFFFAOYSA-N 1 1 277.284 1.154 20 5 CDBDMO CC(=O)N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222230 912305463 /nfs/dbraw/zinc/30/54/63/912305463.db2.gz QSZDBRBDQULRQD-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001173223574 912310368 /nfs/dbraw/zinc/31/03/68/912310368.db2.gz AZHHJAAXSSAXJO-WCQYABFASA-N 1 1 291.351 1.723 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C(N)=O ZINC001173225051 912316221 /nfs/dbraw/zinc/31/62/21/912316221.db2.gz BDJNBCKMCZHNRM-FZMZJTMJSA-N 1 1 291.351 1.866 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001173227642 912319719 /nfs/dbraw/zinc/31/97/19/912319719.db2.gz RPYZSVLKRRAKPL-ZYHUDNBSSA-N 1 1 277.324 1.333 20 5 CDBDMO COC1C[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230422 912327206 /nfs/dbraw/zinc/32/72/06/912327206.db2.gz YBSYPENNYXHUPX-SNVBAGLBSA-N 1 1 250.298 1.856 20 5 CDBDMO COC[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231605 912328246 /nfs/dbraw/zinc/32/82/46/912328246.db2.gz NDBFBQNREJQYMJ-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@H]1COCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231605 912328264 /nfs/dbraw/zinc/32/82/64/912328264.db2.gz NDBFBQNREJQYMJ-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO COc1cnc(NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC001167834222 901220875 /nfs/dbraw/zinc/22/08/75/901220875.db2.gz CPGOJNFALZTKEB-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC001168754965 922642341 /nfs/dbraw/zinc/64/23/41/922642341.db2.gz VYUAKKTXQCPTCI-UHFFFAOYSA-N 1 1 287.201 1.653 20 5 CDBDMO C[N@@H+](Cc1ncccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008072 927612657 /nfs/dbraw/zinc/61/26/57/927612657.db2.gz RKJOHHCILYGVNQ-MNOVXSKESA-N 1 1 250.302 1.354 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001169011511 927616568 /nfs/dbraw/zinc/61/65/68/927616568.db2.gz KMRUYXSOIKUPIW-AGIUHOORSA-N 1 1 254.330 1.544 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CO)CC2)C1 ZINC001169011312 927617063 /nfs/dbraw/zinc/61/70/63/927617063.db2.gz JRCPHYXPRFTGKI-UPJWGTAASA-N 1 1 256.346 1.526 20 5 CDBDMO COC(=O)N1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014437 927619115 /nfs/dbraw/zinc/61/91/15/927619115.db2.gz ZPLTVBCLVLSWQA-VXGBXAGGSA-N 1 1 285.344 1.206 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(CCO3)C2)C1 ZINC001169035599 927643939 /nfs/dbraw/zinc/64/39/39/927643939.db2.gz KTNQXUKSQCTHHL-UPJWGTAASA-N 1 1 254.330 1.687 20 5 CDBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057459 927675678 /nfs/dbraw/zinc/67/56/78/927675678.db2.gz VLILBBRUUOQJKE-UPJWGTAASA-N 1 1 283.372 1.422 20 5 CDBDMO COCCCC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057902 927675762 /nfs/dbraw/zinc/67/57/62/927675762.db2.gz YUSTVEHWSDJWFN-LSDHHAIUSA-N 1 1 299.415 1.476 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001157263355 929402358 /nfs/dbraw/zinc/40/23/58/929402358.db2.gz AOGXRSFPPHCAPB-JOYOIKCWSA-N 1 1 277.328 1.102 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC001170901076 930704516 /nfs/dbraw/zinc/70/45/16/930704516.db2.gz VOARXDPCKPNKGA-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC001116823128 937474383 /nfs/dbraw/zinc/47/43/83/937474383.db2.gz AHVWZEGNJGHTJC-LSDHHAIUSA-N 1 1 292.335 1.475 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733446 931891034 /nfs/dbraw/zinc/89/10/34/931891034.db2.gz BCVHKLMTFQLGLM-JTQLQIEISA-N 1 1 296.327 1.207 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@H+]1C ZINC001120972280 937850699 /nfs/dbraw/zinc/85/06/99/937850699.db2.gz PRCNUQAQCABDAG-JTQLQIEISA-N 1 1 280.328 1.895 20 5 CDBDMO O=C([C@@H]1CSC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001121968638 937895448 /nfs/dbraw/zinc/89/54/48/937895448.db2.gz XGKOJEVEOCVOCT-NSHDSACASA-N 1 1 279.321 1.100 20 5 CDBDMO C[C@H](OCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224548746 941767816 /nfs/dbraw/zinc/76/78/16/941767816.db2.gz FMFYEWCXEWWDFK-ZDUSSCGKSA-N 1 1 293.367 1.920 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncccc1[N+](=O)[O-])C2 ZINC001225592892 941885570 /nfs/dbraw/zinc/88/55/70/941885570.db2.gz JJVSBFOPXWJHIV-URLYPYJESA-N 1 1 263.297 1.994 20 5 CDBDMO Cc1[nH]c(=O)nc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001227111721 942134544 /nfs/dbraw/zinc/13/45/44/942134544.db2.gz QBMMDYLNBNIJAT-ZETCQYMHSA-O 1 1 260.745 1.618 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894892 942241296 /nfs/dbraw/zinc/24/12/96/942241296.db2.gz RAYCVQWPTHIXOJ-JTQLQIEISA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604957 942340815 /nfs/dbraw/zinc/34/08/15/942340815.db2.gz YYTFDRFXPKOOTC-QMMMGPOBSA-N 1 1 280.284 1.051 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604957 942340818 /nfs/dbraw/zinc/34/08/18/942340818.db2.gz YYTFDRFXPKOOTC-QMMMGPOBSA-N 1 1 280.284 1.051 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769318 942373202 /nfs/dbraw/zinc/37/32/02/942373202.db2.gz QCTVALOOHDJECR-GFCCVEGCSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880319 942387818 /nfs/dbraw/zinc/38/78/18/942387818.db2.gz UDBBDRVONFCYBP-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228935857 942396510 /nfs/dbraw/zinc/39/65/10/942396510.db2.gz JIMYKPVDJXSWCP-SSDOTTSWSA-N 1 1 257.677 1.726 20 5 CDBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001228972160 942401388 /nfs/dbraw/zinc/40/13/88/942401388.db2.gz WEPKSUXHFPSNSN-JTQLQIEISA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001228972160 942401392 /nfs/dbraw/zinc/40/13/92/942401392.db2.gz WEPKSUXHFPSNSN-JTQLQIEISA-N 1 1 264.281 1.880 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231456 942593070 /nfs/dbraw/zinc/59/30/70/942593070.db2.gz KEYDXEPCGHEOQV-SECBINFHSA-N 1 1 291.311 1.729 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)n1 ZINC001231259486 942837259 /nfs/dbraw/zinc/83/72/59/942837259.db2.gz MUGUIPFBNJKOSO-MRVPVSSYSA-N 1 1 253.258 1.087 20 5 CDBDMO Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C)C2)n1 ZINC001231259486 942837263 /nfs/dbraw/zinc/83/72/63/942837263.db2.gz MUGUIPFBNJKOSO-MRVPVSSYSA-N 1 1 253.258 1.087 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001262652768 943657590 /nfs/dbraw/zinc/65/75/90/943657590.db2.gz PKYHSENXQMTHFQ-SNVBAGLBSA-N 1 1 280.328 1.147 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001254563529 947525780 /nfs/dbraw/zinc/52/57/80/947525780.db2.gz YDANHCBDMCTMSS-ZYHUDNBSSA-N 1 1 277.324 1.333 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CN(C)C2)C1 ZINC001254571650 947531155 /nfs/dbraw/zinc/53/11/55/947531155.db2.gz ZTCNKIWAYIIXGJ-LBPRGKRZSA-N 1 1 275.352 1.773 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254592128 947542800 /nfs/dbraw/zinc/54/28/00/947542800.db2.gz BFRGZDONJHFVEC-QMTHXVAHSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254592128 947542804 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CDBDMO Nc1cc(NCCNc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC001318266852 958008084 /nfs/dbraw/zinc/00/80/84/958008084.db2.gz PGERXXXMPBCYIL-UHFFFAOYSA-N 1 1 274.284 1.491 20 5 CDBDMO Nc1cc(NCCNc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC001318266852 958008104 /nfs/dbraw/zinc/00/81/04/958008104.db2.gz PGERXXXMPBCYIL-UHFFFAOYSA-N 1 1 274.284 1.491 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336542614 960389782 /nfs/dbraw/zinc/38/97/82/960389782.db2.gz IODIDOKADGPWAN-KCJUWKMLSA-N 1 1 277.328 1.467 20 5 CDBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC001341392958 963394981 /nfs/dbraw/zinc/39/49/81/963394981.db2.gz NKPDKCUSNDIAFG-GFCCVEGCSA-N 1 1 258.318 1.174 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001343338116 963954314 /nfs/dbraw/zinc/95/43/14/963954314.db2.gz ZFPMMRXGXALOOQ-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCOC3)c2c1 ZINC000601135768 342476293 /nfs/dbraw/zinc/47/62/93/342476293.db2.gz 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CVFHWWFSVRGHKF-JTQLQIEISA-N 1 1 282.319 1.392 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000286631840 357610658 /nfs/dbraw/zinc/61/06/58/357610658.db2.gz CVFHWWFSVRGHKF-JTQLQIEISA-N 1 1 282.319 1.392 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344561821 363598778 /nfs/dbraw/zinc/59/87/78/363598778.db2.gz UKFAGRZWOPPVBH-UHFFFAOYSA-N 1 1 269.276 1.415 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290987172 358802801 /nfs/dbraw/zinc/80/28/01/358802801.db2.gz PYBFIBSEZCKCKJ-LLVKDONJSA-N 1 1 297.359 1.028 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712113 366516543 /nfs/dbraw/zinc/51/65/43/366516543.db2.gz IKMXRXBBBHFVBF-SNVBAGLBSA-N 1 1 272.276 1.425 20 5 CDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291117989 358878457 /nfs/dbraw/zinc/87/84/57/358878457.db2.gz APRQQXXFURTTEW-JTQLQIEISA-N 1 1 295.339 1.551 20 5 CDBDMO C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342217283 358967134 /nfs/dbraw/zinc/96/71/34/358967134.db2.gz QPDHZHLYMRWIEF-VIFPVBQESA-N 1 1 255.293 1.774 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC[N@H+]1C ZINC000342361264 359018076 /nfs/dbraw/zinc/01/80/76/359018076.db2.gz SKTCJSSCKDBDIF-WPRPVWTQSA-N 1 1 266.301 1.135 20 5 CDBDMO Cc1cnc(OCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000287616511 359090224 /nfs/dbraw/zinc/09/02/24/359090224.db2.gz UBTMNANPPJMWNW-UHFFFAOYSA-N 1 1 262.269 1.653 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)O ZINC000051837836 359134641 /nfs/dbraw/zinc/13/46/41/359134641.db2.gz AORRDVHWSIZWCB-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)O ZINC000051837836 359134646 /nfs/dbraw/zinc/13/46/46/359134646.db2.gz AORRDVHWSIZWCB-VIFPVBQESA-N 1 1 254.286 1.416 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339671972 359426423 /nfs/dbraw/zinc/42/64/23/359426423.db2.gz KNGHZMTVAFWYGG-LBPRGKRZSA-N 1 1 264.329 1.913 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C)CC1 ZINC000023991029 359526674 /nfs/dbraw/zinc/52/66/74/359526674.db2.gz MUZVOIDZAJQZCK-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO Cc1[nH+]ccn1CCCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000342709294 359954905 /nfs/dbraw/zinc/95/49/05/359954905.db2.gz MFQVCMFLWXIHIU-UHFFFAOYSA-N 1 1 276.296 1.660 20 5 CDBDMO C[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000248570536 361650887 /nfs/dbraw/zinc/65/08/87/361650887.db2.gz QRTNPWLICXQDBZ-DGCLKSJQSA-N 1 1 282.344 1.274 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000580523802 363917627 /nfs/dbraw/zinc/91/76/27/363917627.db2.gz VSWGKUSMFUDBCT-LLVKDONJSA-N 1 1 294.355 1.395 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249598353 364973997 /nfs/dbraw/zinc/97/39/97/364973997.db2.gz XLVPZTVEVHPUHW-HZMBPMFUSA-N 1 1 291.351 1.989 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000249598353 364974003 /nfs/dbraw/zinc/97/40/03/364974003.db2.gz XLVPZTVEVHPUHW-HZMBPMFUSA-N 1 1 291.351 1.989 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000270577221 366906697 /nfs/dbraw/zinc/90/66/97/366906697.db2.gz PPMMQKHWPQMHPU-LLVKDONJSA-N 1 1 279.340 1.877 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000271025502 366958065 /nfs/dbraw/zinc/95/80/65/366958065.db2.gz WHOQGDVSBSUXHQ-LBPRGKRZSA-N 1 1 250.298 1.860 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@H+]1C1CC1 ZINC000440930564 367106396 /nfs/dbraw/zinc/10/63/96/367106396.db2.gz ROLARJTZDVRQEH-VHSXEESVSA-N 1 1 292.339 1.288 20 5 CDBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000170640400 367282263 /nfs/dbraw/zinc/28/22/63/367282263.db2.gz PBCDFXLMORYPHR-UHFFFAOYSA-N 1 1 280.328 1.513 20 5 CDBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cn2)CCO1 ZINC000170640400 367282266 /nfs/dbraw/zinc/28/22/66/367282266.db2.gz PBCDFXLMORYPHR-UHFFFAOYSA-N 1 1 280.328 1.513 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193269693 367746149 /nfs/dbraw/zinc/74/61/49/367746149.db2.gz CBPGREUGTWUWDL-UHFFFAOYSA-N 1 1 274.280 1.763 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000295286525 369875842 /nfs/dbraw/zinc/87/58/42/369875842.db2.gz TZMSOJHDELSLJG-CQSZACIVSA-N 1 1 295.314 1.297 20 5 CDBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000422552956 245108121 /nfs/dbraw/zinc/10/81/21/245108121.db2.gz SEOAZTGAZGUMIU-UHFFFAOYSA-N 1 1 262.269 1.981 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298956651 374275812 /nfs/dbraw/zinc/27/58/12/374275812.db2.gz JBLGGHPRLDVMBN-UHFFFAOYSA-N 1 1 288.307 1.920 20 5 CDBDMO CC[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](CC)O1 ZINC000420959268 374307487 /nfs/dbraw/zinc/30/74/87/374307487.db2.gz QEKMWILBACEGKI-VXGBXAGGSA-N 1 1 282.344 1.681 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000114486084 374313809 /nfs/dbraw/zinc/31/38/09/374313809.db2.gz UOTNYVQIMHAYFV-LLVKDONJSA-N 1 1 252.270 1.040 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147817 374454508 /nfs/dbraw/zinc/45/45/08/374454508.db2.gz RJTSGSZZSPBVLY-QWRGUYRKSA-N 1 1 294.355 1.773 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377554718 374607468 /nfs/dbraw/zinc/60/74/68/374607468.db2.gz OBOOURBDBBPLND-GFCCVEGCSA-N 1 1 277.324 1.335 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447818775 374715912 /nfs/dbraw/zinc/71/59/12/374715912.db2.gz YSCVESGFYNFAFB-JTQLQIEISA-N 1 1 281.360 1.861 20 5 CDBDMO CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000093315763 374741613 /nfs/dbraw/zinc/74/16/13/374741613.db2.gz JFKRJPPTGMYYOB-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000093315763 374741617 /nfs/dbraw/zinc/74/16/17/374741617.db2.gz JFKRJPPTGMYYOB-LLVKDONJSA-N 1 1 295.339 1.890 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000279398839 374897484 /nfs/dbraw/zinc/89/74/84/374897484.db2.gz UXXDBRNVVZIFRD-CQSZACIVSA-N 1 1 295.339 1.257 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[C@H]1CCCC[N@@H+]1C ZINC000330500271 374857681 /nfs/dbraw/zinc/85/76/81/374857681.db2.gz NWCACTBAGDSDDV-LLVKDONJSA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1noc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000331576833 374974060 /nfs/dbraw/zinc/97/40/60/374974060.db2.gz MDIYVWCTHLOAEN-VIFPVBQESA-N 1 1 292.299 1.009 20 5 CDBDMO Cc1noc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000331576833 374974068 /nfs/dbraw/zinc/97/40/68/374974068.db2.gz MDIYVWCTHLOAEN-VIFPVBQESA-N 1 1 292.299 1.009 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000332213436 375016845 /nfs/dbraw/zinc/01/68/45/375016845.db2.gz KFYOLAXUYHSTMW-GJZGRUSLSA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000332213436 375016849 /nfs/dbraw/zinc/01/68/49/375016849.db2.gz KFYOLAXUYHSTMW-GJZGRUSLSA-N 1 1 291.351 1.418 20 5 CDBDMO COc1cc(C)[nH+]c(Cn2cc(C)c([N+](=O)[O-])n2)c1 ZINC000282304998 375076964 /nfs/dbraw/zinc/07/69/64/375076964.db2.gz RWGQSTHSVNAMOC-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O ZINC000282524238 375092257 /nfs/dbraw/zinc/09/22/57/375092257.db2.gz PTICZNOYCOVWNS-ZJUUUORDSA-N 1 1 286.303 1.298 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)n1 ZINC000162621845 375391225 /nfs/dbraw/zinc/39/12/25/375391225.db2.gz GQJXAMJTJGCATA-UHFFFAOYSA-N 1 1 250.302 1.804 20 5 CDBDMO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356453665 375845438 /nfs/dbraw/zinc/84/54/38/375845438.db2.gz CLDNNXJOZXFHTH-SNVBAGLBSA-N 1 1 295.339 1.761 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000357415010 375907413 /nfs/dbraw/zinc/90/74/13/375907413.db2.gz NIBCPGSBRBLTKW-DTWKUNHWSA-N 1 1 266.301 1.135 20 5 CDBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)on1 ZINC000358273052 375959682 /nfs/dbraw/zinc/95/96/82/375959682.db2.gz JWZMXDGZWVSGRE-NSHDSACASA-N 1 1 291.311 1.925 20 5 CDBDMO Cc1cc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)on1 ZINC000358273052 375959688 /nfs/dbraw/zinc/95/96/88/375959688.db2.gz JWZMXDGZWVSGRE-NSHDSACASA-N 1 1 291.311 1.925 20 5 CDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000059391881 377045065 /nfs/dbraw/zinc/04/50/65/377045065.db2.gz NYSJHZRSPPVUFN-LLVKDONJSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000059391881 377045067 /nfs/dbraw/zinc/04/50/67/377045067.db2.gz NYSJHZRSPPVUFN-LLVKDONJSA-N 1 1 250.298 1.858 20 5 CDBDMO CCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172188487 377339571 /nfs/dbraw/zinc/33/95/71/377339571.db2.gz QQEZOXWKRWPASU-GFCCVEGCSA-N 1 1 268.313 1.424 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444364594 250129358 /nfs/dbraw/zinc/12/93/58/250129358.db2.gz MDJZLWAIWGORDT-WCBMZHEXSA-N 1 1 295.343 1.093 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCOC1 ZINC000174853194 379592883 /nfs/dbraw/zinc/59/28/83/379592883.db2.gz DAXCGZOSJURJRI-LLVKDONJSA-N 1 1 268.317 1.150 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCc3occc3C2)c1 ZINC000288680120 197143619 /nfs/dbraw/zinc/14/36/19/197143619.db2.gz CPHUTORXBARDRF-UHFFFAOYSA-N 1 1 276.296 1.833 20 5 CDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287389213 196847802 /nfs/dbraw/zinc/84/78/02/196847802.db2.gz NIWZYKXQNNXTOR-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556874 390632696 /nfs/dbraw/zinc/63/26/96/390632696.db2.gz DTIIDDFUTZFPHB-ZDUSSCGKSA-N 1 1 291.351 1.910 20 5 CDBDMO CCNC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556874 390632698 /nfs/dbraw/zinc/63/26/98/390632698.db2.gz DTIIDDFUTZFPHB-ZDUSSCGKSA-N 1 1 291.351 1.910 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697241 390657323 /nfs/dbraw/zinc/65/73/23/390657323.db2.gz MNOZMTCGPYBHQO-DTWKUNHWSA-N 1 1 270.358 1.970 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697241 390657326 /nfs/dbraw/zinc/65/73/26/390657326.db2.gz MNOZMTCGPYBHQO-DTWKUNHWSA-N 1 1 270.358 1.970 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[NH2+]CCO1 ZINC000415091915 391014722 /nfs/dbraw/zinc/01/47/22/391014722.db2.gz DLYHQJSEOQURBX-LQPUYASZSA-N 1 1 277.324 1.186 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414996312 391236817 /nfs/dbraw/zinc/23/68/17/391236817.db2.gz XLGHTVPQFGZAPT-WDEREUQCSA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414996312 391236821 /nfs/dbraw/zinc/23/68/21/391236821.db2.gz XLGHTVPQFGZAPT-WDEREUQCSA-N 1 1 294.355 1.639 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213525 391251973 /nfs/dbraw/zinc/25/19/73/391251973.db2.gz NBCVASIKKLJZGS-SNVBAGLBSA-N 1 1 292.339 1.447 20 5 CDBDMO Cc1nc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449230392 391408783 /nfs/dbraw/zinc/40/87/83/391408783.db2.gz KJXDRDWDKRQARN-JTQLQIEISA-N 1 1 289.339 1.785 20 5 CDBDMO Cc1nnc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449230392 391408786 /nfs/dbraw/zinc/40/87/86/391408786.db2.gz KJXDRDWDKRQARN-JTQLQIEISA-N 1 1 289.339 1.785 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189718333 391792535 /nfs/dbraw/zinc/79/25/35/391792535.db2.gz MDHFIZDETZNMER-GXFFZTMASA-N 1 1 250.298 1.798 20 5 CDBDMO CCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842878 391933464 /nfs/dbraw/zinc/93/34/64/391933464.db2.gz PWTYTXWALSRRLX-JQWIXIFHSA-N 1 1 270.333 1.273 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353939055 391909474 /nfs/dbraw/zinc/90/94/74/391909474.db2.gz LUKKQUOMYOGARF-UHFFFAOYSA-N 1 1 279.340 1.594 20 5 CDBDMO Cc1cc(N2CC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122223055 392512134 /nfs/dbraw/zinc/51/21/34/392512134.db2.gz LFLLDZGGKUYEKT-SNVBAGLBSA-N 1 1 272.308 1.989 20 5 CDBDMO CC(C)(O)C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000313741829 392956901 /nfs/dbraw/zinc/95/69/01/392956901.db2.gz AYFCQUKMJBLERV-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO CO[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000449575090 393135393 /nfs/dbraw/zinc/13/53/93/393135393.db2.gz ZXWVJGLSRASVEP-XBJHSPDSSA-N 1 1 292.335 1.690 20 5 CDBDMO COc1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905051 149257219 /nfs/dbraw/zinc/25/72/19/149257219.db2.gz IUVGVBYLDGONLX-LLVKDONJSA-N 1 1 296.323 1.437 20 5 CDBDMO CCN(C)C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549477 155264137 /nfs/dbraw/zinc/26/41/37/155264137.db2.gz BRJOQGAZZIBPQC-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545647 152218693 /nfs/dbraw/zinc/21/86/93/152218693.db2.gz ZAMKFAZQBRJVNL-NWDGAFQWSA-N 1 1 296.323 1.055 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353853358 156123861 /nfs/dbraw/zinc/12/38/61/156123861.db2.gz FVNPYOKHVZWRDR-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000353853358 156123863 /nfs/dbraw/zinc/12/38/63/156123863.db2.gz FVNPYOKHVZWRDR-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000353858737 156127463 /nfs/dbraw/zinc/12/74/63/156127463.db2.gz UOKXLHSCHWCORM-ALCCZGGFSA-N 1 1 294.351 1.531 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296055 158203878 /nfs/dbraw/zinc/20/38/78/158203878.db2.gz QTVUBMZVEAUEQZ-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO O=C1OC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000363867633 159348278 /nfs/dbraw/zinc/34/82/78/159348278.db2.gz WOCQBTKJOXVBGK-CYBMUJFWSA-N 1 1 291.307 1.274 20 5 CDBDMO O=C1OC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000363867633 159348280 /nfs/dbraw/zinc/34/82/80/159348280.db2.gz WOCQBTKJOXVBGK-CYBMUJFWSA-N 1 1 291.307 1.274 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372747467 160145891 /nfs/dbraw/zinc/14/58/91/160145891.db2.gz MBEBWHGKZJCXGV-GXSJLCMTSA-N 1 1 298.368 1.035 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372747467 160145893 /nfs/dbraw/zinc/14/58/93/160145893.db2.gz MBEBWHGKZJCXGV-GXSJLCMTSA-N 1 1 298.368 1.035 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361655350 165087952 /nfs/dbraw/zinc/08/79/52/165087952.db2.gz PCPRIXDSZOUOFN-PSASIEDQSA-N 1 1 256.327 1.717 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361655350 165087956 /nfs/dbraw/zinc/08/79/56/165087956.db2.gz PCPRIXDSZOUOFN-PSASIEDQSA-N 1 1 256.327 1.717 20 5 CDBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000284319803 196029119 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20 5 CDBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000226775137 280101972 /nfs/dbraw/zinc/10/19/72/280101972.db2.gz QGPLRCWKRCOMGW-YUMQZZPRSA-N 1 1 256.331 1.946 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)OC ZINC000064570070 521150581 /nfs/dbraw/zinc/15/05/81/521150581.db2.gz UZFCZDVWJWWSMO-UHFFFAOYSA-N 1 1 296.323 1.859 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900332 576441824 /nfs/dbraw/zinc/44/18/24/576441824.db2.gz GCLDIHJQXOMYBM-KBPBESRZSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900333 576441912 /nfs/dbraw/zinc/44/19/12/576441912.db2.gz GCLDIHJQXOMYBM-KGLIPLIRSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742195733 576585881 /nfs/dbraw/zinc/58/58/81/576585881.db2.gz JKDONDOOSMNZRX-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742195733 576585884 /nfs/dbraw/zinc/58/58/84/576585884.db2.gz JKDONDOOSMNZRX-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO CC[N@H+](CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000747958760 576890368 /nfs/dbraw/zinc/89/03/68/576890368.db2.gz CEDFEZGIDRNQMK-UHFFFAOYSA-N 1 1 289.339 1.751 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000892123101 617493503 /nfs/dbraw/zinc/49/35/03/617493503.db2.gz IAVLGZZWEQVJCW-UHFFFAOYSA-N 1 1 281.360 1.639 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000891915203 617766959 /nfs/dbraw/zinc/76/69/59/617766959.db2.gz GLWXJFFWYUOIAV-SNVBAGLBSA-N 1 1 296.323 1.920 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000891915203 617766964 /nfs/dbraw/zinc/76/69/64/617766964.db2.gz GLWXJFFWYUOIAV-SNVBAGLBSA-N 1 1 296.323 1.920 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000893888856 618159270 /nfs/dbraw/zinc/15/92/70/618159270.db2.gz PMOLBDHDNYVFGI-IINYFYTJSA-N 1 1 294.307 1.123 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000893888856 618159274 /nfs/dbraw/zinc/15/92/74/618159274.db2.gz PMOLBDHDNYVFGI-IINYFYTJSA-N 1 1 294.307 1.123 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894997120 619193927 /nfs/dbraw/zinc/19/39/27/619193927.db2.gz UPLSRSLVTNHEKK-VIFPVBQESA-N 1 1 259.269 1.532 20 5 CDBDMO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246888 619493768 /nfs/dbraw/zinc/49/37/68/619493768.db2.gz QXOUJWOLVXHDEZ-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO CC[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000882959269 619620106 /nfs/dbraw/zinc/62/01/06/619620106.db2.gz AAHBAEFDHFFRNV-MRVPVSSYSA-N 1 1 254.265 1.635 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000882959269 619620112 /nfs/dbraw/zinc/62/01/12/619620112.db2.gz AAHBAEFDHFFRNV-MRVPVSSYSA-N 1 1 254.265 1.635 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902932548 625657479 /nfs/dbraw/zinc/65/74/79/625657479.db2.gz DVXOOVQRKVHYSC-SECBINFHSA-N 1 1 282.275 1.560 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000905050924 626387050 /nfs/dbraw/zinc/38/70/50/626387050.db2.gz XMIHZRFIFWEOBI-UHFFFAOYSA-N 1 1 279.218 1.389 20 5 CDBDMO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000880391754 679707277 /nfs/dbraw/zinc/70/72/77/679707277.db2.gz WSYUSYQPRITCRQ-UHFFFAOYSA-N 1 1 293.323 1.061 20 5 CDBDMO NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000880391754 679707279 /nfs/dbraw/zinc/70/72/79/679707279.db2.gz WSYUSYQPRITCRQ-UHFFFAOYSA-N 1 1 293.323 1.061 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cocn2)c1 ZINC000819038334 679721033 /nfs/dbraw/zinc/72/10/33/679721033.db2.gz DGEYAQHTRPDQPI-LBPRGKRZSA-N 1 1 263.253 1.406 20 5 CDBDMO O=C1[C@@H]([N@H+]2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345419 679752494 /nfs/dbraw/zinc/75/24/94/679752494.db2.gz ZSQKEBJLWJEFMM-WDMOLILDSA-N 1 1 287.319 1.652 20 5 CDBDMO Cc1cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513116 679760686 /nfs/dbraw/zinc/76/06/86/679760686.db2.gz KRBCUDIMASFGPW-RYUDHWBXSA-N 1 1 292.339 1.573 20 5 CDBDMO COC(=O)CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000112959432 679766692 /nfs/dbraw/zinc/76/66/92/679766692.db2.gz YFTNOOBJJSTVBY-UHFFFAOYSA-N 1 1 270.289 1.022 20 5 CDBDMO COC(=O)CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000112959432 679766694 /nfs/dbraw/zinc/76/66/94/679766694.db2.gz YFTNOOBJJSTVBY-UHFFFAOYSA-N 1 1 270.289 1.022 20 5 CDBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000819259116 679772485 /nfs/dbraw/zinc/77/24/85/679772485.db2.gz TWSSZNKKULMSRB-CABZTGNLSA-N 1 1 291.311 1.108 20 5 CDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC2CCCC2)C1 ZINC001042710800 679797554 /nfs/dbraw/zinc/79/75/54/679797554.db2.gz JNRZOVVYUKTZHW-ZIAGYGMSSA-N 1 1 295.383 1.375 20 5 CDBDMO CC[N@@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC000853253754 679806987 /nfs/dbraw/zinc/80/69/87/679806987.db2.gz RVCPUHAMJIRQML-UHFFFAOYSA-N 1 1 268.317 1.838 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000840119344 679813203 /nfs/dbraw/zinc/81/32/03/679813203.db2.gz HGDNQVCFLLCWEM-YNEHKIRRSA-N 1 1 280.328 1.374 20 5 CDBDMO COc1cc(N[C@H]2CC[N@@H+](C)C2)cnc1[N+](=O)[O-] ZINC001167278569 1158556068 /nfs/dbraw/zinc/55/60/68/1158556068.db2.gz MSEWASKGNUCMMK-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000776770307 679835453 /nfs/dbraw/zinc/83/54/53/679835453.db2.gz SNSLLHNYMSRUKQ-ZDUSSCGKSA-N 1 1 280.328 1.640 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000886273579 679849300 /nfs/dbraw/zinc/84/93/00/679849300.db2.gz CBOUQGMJRGZCQZ-UHFFFAOYSA-N 1 1 295.339 1.353 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCOCCO)C1CCC1 ZINC000886273579 679849302 /nfs/dbraw/zinc/84/93/02/679849302.db2.gz CBOUQGMJRGZCQZ-UHFFFAOYSA-N 1 1 295.339 1.353 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000933927568 679864807 /nfs/dbraw/zinc/86/48/07/679864807.db2.gz CLNWZPTUVLUCCO-LBPRGKRZSA-N 1 1 268.288 1.946 20 5 CDBDMO C[N@@H+](CCO)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000884825142 681718830 /nfs/dbraw/zinc/71/88/30/681718830.db2.gz HPFPHVMQVMAORO-UHFFFAOYSA-N 1 1 290.323 1.479 20 5 CDBDMO O=[N+]([O-])c1ccc(CCCCN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925569946 682176317 /nfs/dbraw/zinc/17/63/17/682176317.db2.gz BPVVKPAWQMAQRN-CQSZACIVSA-N 1 1 293.367 1.496 20 5 CDBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CC[N+](=O)[O-])[C@@H]1C ZINC000934166728 682545337 /nfs/dbraw/zinc/54/53/37/682545337.db2.gz XKSRKBHFJOOLOE-DDHJBXDOSA-N 1 1 272.345 1.561 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CCC2)CC1 ZINC000996428433 682610337 /nfs/dbraw/zinc/61/03/37/682610337.db2.gz CQDXSHLBFRKBEP-CHWSQXEVSA-N 1 1 281.356 1.032 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000886076344 682643793 /nfs/dbraw/zinc/64/37/93/682643793.db2.gz NEJYTLMVMDVINZ-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO COc1c(C(=O)OCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000861391496 682672013 /nfs/dbraw/zinc/67/20/13/682672013.db2.gz DUGQEEZPADHXBL-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000882491921 682784238 /nfs/dbraw/zinc/78/42/38/682784238.db2.gz LSRDXRAUJGTODI-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140534 682828703 /nfs/dbraw/zinc/82/87/03/682828703.db2.gz CIMOXRDFLVYKCM-IINYFYTJSA-N 1 1 280.324 1.301 20 5 CDBDMO COC(=O)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886009943 682832088 /nfs/dbraw/zinc/83/20/88/682832088.db2.gz BLLXKQNLHGTSAS-UHFFFAOYSA-N 1 1 281.312 1.763 20 5 CDBDMO Nc1cc(N)[nH+]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000789749861 682837392 /nfs/dbraw/zinc/83/73/92/682837392.db2.gz KADLJQFTJMNRBV-ONEGZZNKSA-N 1 1 279.281 1.905 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886310509 683096940 /nfs/dbraw/zinc/09/69/40/683096940.db2.gz MQHPBXBKBXQFLV-YPMHNXCESA-N 1 1 276.340 1.516 20 5 CDBDMO COc1ccc(C[NH2+][C@@H](C)c2cnnn2C)cc1[N+](=O)[O-] ZINC000924841698 683250925 /nfs/dbraw/zinc/25/09/25/683250925.db2.gz LIJDLTJEDYBCQY-VIFPVBQESA-N 1 1 291.311 1.583 20 5 CDBDMO C[N@@H+](CCNc1cc(F)c([N+](=O)[O-])cc1CO)C1CC1 ZINC000865464834 683304442 /nfs/dbraw/zinc/30/44/42/683304442.db2.gz PFMVEDHHUQETBO-UHFFFAOYSA-N 1 1 283.303 1.732 20 5 CDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861433 683381891 /nfs/dbraw/zinc/38/18/91/683381891.db2.gz IXUKYMIFTCHEDL-CQDKDKBSSA-N 1 1 294.351 1.864 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959734 683667832 /nfs/dbraw/zinc/66/78/32/683667832.db2.gz OLMRTWTUPHPXMA-VIFPVBQESA-N 1 1 294.311 1.283 20 5 CDBDMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000886100626 683839232 /nfs/dbraw/zinc/83/92/32/683839232.db2.gz SWWCAARCEKWXJZ-MNOVXSKESA-N 1 1 264.329 1.514 20 5 CDBDMO C[C@H]1C[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799876 683844361 /nfs/dbraw/zinc/84/43/61/683844361.db2.gz OUHHLDLLRJSXON-QWRGUYRKSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@H]1C[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799876 683844363 /nfs/dbraw/zinc/84/43/63/683844363.db2.gz OUHHLDLLRJSXON-QWRGUYRKSA-N 1 1 294.355 1.698 20 5 CDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H](C)O ZINC000929338079 684012422 /nfs/dbraw/zinc/01/24/22/684012422.db2.gz PJGBUHZMMNIKQK-RISCZKNCSA-N 1 1 282.340 1.547 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1ccccc1[N+](=O)[O-] ZINC000861384056 684026171 /nfs/dbraw/zinc/02/61/71/684026171.db2.gz AXOCUTIXQUWGGV-UHFFFAOYSA-N 1 1 250.254 1.457 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH+]2CC3(COC3)C2)c([N+](=O)[O-])c1 ZINC001170326932 1162337846 /nfs/dbraw/zinc/33/78/46/1162337846.db2.gz CPESIWXNBUOFQC-LLVKDONJSA-N 1 1 292.335 1.867 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+](C)C2COC2)c([N+](=O)[O-])c1 ZINC001170348030 1162348778 /nfs/dbraw/zinc/34/87/78/1162348778.db2.gz VDAFSVUHYYELRB-JTQLQIEISA-N 1 1 280.324 1.865 20 5 CDBDMO COc1ccc(C[C@H](C)[N@@H+](C)C2COC2)c([N+](=O)[O-])c1 ZINC001170348030 1162348780 /nfs/dbraw/zinc/34/87/80/1162348780.db2.gz VDAFSVUHYYELRB-JTQLQIEISA-N 1 1 280.324 1.865 20 5 CDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@H]3C2)n1 ZINC001158424694 1162981950 /nfs/dbraw/zinc/98/19/50/1162981950.db2.gz XLGGUFDVBJLZAX-VIFPVBQESA-N 1 1 282.731 1.846 20 5 CDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@@H]21 ZINC000794975108 1164850271 /nfs/dbraw/zinc/85/02/71/1164850271.db2.gz VXVRVSZMAZYEKM-IMRBUKKESA-N 1 1 290.319 1.754 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000048176507 1166440013 /nfs/dbraw/zinc/44/00/13/1166440013.db2.gz GGFFEBPDZFGTPR-UHFFFAOYSA-N 1 1 292.339 1.414 20 5 CDBDMO CS[C@@H]1CC[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254800 1167420651 /nfs/dbraw/zinc/42/06/51/1167420651.db2.gz GBIWYIHMJSIIQC-VHSXEESVSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254800 1167420654 /nfs/dbraw/zinc/42/06/54/1167420654.db2.gz GBIWYIHMJSIIQC-VHSXEESVSA-N 1 1 270.358 1.965 20 5 CDBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCC1 ZINC001591137094 1173577539 /nfs/dbraw/zinc/57/75/39/1173577539.db2.gz REMHHTBJJSFRFN-UHFFFAOYSA-N 1 1 288.311 1.759 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](CO)C1 ZINC000877645045 1166073001 /nfs/dbraw/zinc/07/30/01/1166073001.db2.gz ZEJMUIIIHUWPBP-LLVKDONJSA-N 1 1 299.758 1.357 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001173225147 912313940 /nfs/dbraw/zinc/31/39/40/912313940.db2.gz BPTJGPXFSJVUFR-BPNCWPANSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001173225147 912313955 /nfs/dbraw/zinc/31/39/55/912313955.db2.gz BPTJGPXFSJVUFR-BPNCWPANSA-N 1 1 262.309 1.999 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(=O)N(C)CC1 ZINC001173228639 912321540 /nfs/dbraw/zinc/32/15/40/912321540.db2.gz YJZDHRJICFWGHY-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)C[NH+](C)C2 ZINC001173237503 912366327 /nfs/dbraw/zinc/36/63/27/912366327.db2.gz KQFNLGXIANEYOO-GFCCVEGCSA-N 1 1 275.352 1.773 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001167786825 900728664 /nfs/dbraw/zinc/72/86/64/900728664.db2.gz YTLMWFRDZQLSSJ-UHFFFAOYSA-N 1 1 293.714 1.963 20 5 CDBDMO Nc1nc(N[C@H]2CC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC001161177413 936411403 /nfs/dbraw/zinc/41/14/03/936411403.db2.gz NQAVBJDZANCDSA-VIFPVBQESA-N 1 1 277.328 1.611 20 5 CDBDMO Cc1[nH+]ccn1CCCCNc1nn(C)cc1[N+](=O)[O-] ZINC001162598107 922801133 /nfs/dbraw/zinc/80/11/33/922801133.db2.gz NPMLHVJJWYKIFQ-UHFFFAOYSA-N 1 1 278.316 1.726 20 5 CDBDMO [NH3+]Cc1nc(=O)[nH]n1-c1ncnc2cc3ccccc3cc21 ZINC001168761063 923211255 /nfs/dbraw/zinc/21/12/55/923211255.db2.gz XQMLFEMCYGZZMJ-UHFFFAOYSA-N 1 1 292.302 1.528 20 5 CDBDMO COC[C@@]1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840104364 936938133 /nfs/dbraw/zinc/93/81/33/936938133.db2.gz KSYZMYPXCNBINC-NSHDSACASA-N 1 1 254.290 1.107 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840104364 936938136 /nfs/dbraw/zinc/93/81/36/936938136.db2.gz KSYZMYPXCNBINC-NSHDSACASA-N 1 1 254.290 1.107 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncccc2O)C1 ZINC001168981176 927569231 /nfs/dbraw/zinc/56/92/31/927569231.db2.gz GOKNNLAUFWKRCU-VHSXEESVSA-N 1 1 251.286 1.322 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168966531 927588803 /nfs/dbraw/zinc/58/88/03/927588803.db2.gz JCMALENAIXLZMJ-YFKTTZPYSA-N 1 1 272.345 1.609 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@]1(C)O ZINC001169006953 927612371 /nfs/dbraw/zinc/61/23/71/927612371.db2.gz KOLVKFYOMRLKSJ-RQJABVFESA-N 1 1 270.373 1.915 20 5 CDBDMO CC[N@@H+](CCCC(=O)OC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013367 927620327 /nfs/dbraw/zinc/62/03/27/927620327.db2.gz UJTCDPMGEDUEHY-NWDGAFQWSA-N 1 1 272.345 1.707 20 5 CDBDMO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](C)CC ZINC001168988354 927624747 /nfs/dbraw/zinc/62/47/47/927624747.db2.gz RFJIARQKNWRUEU-QNWHQSFQSA-N 1 1 286.372 1.999 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCOC3)C1 ZINC001169040038 927654512 /nfs/dbraw/zinc/65/45/12/927654512.db2.gz XEFYPJLVPKCIRC-AGIUHOORSA-N 1 1 254.330 1.687 20 5 CDBDMO CN1CC2(C1)CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169044662 927656683 /nfs/dbraw/zinc/65/66/83/927656683.db2.gz INCHBZCYXBWOSD-VXGBXAGGSA-N 1 1 253.346 1.069 20 5 CDBDMO COC[C@]12COC[C@H]1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018906 927659232 /nfs/dbraw/zinc/65/92/32/927659232.db2.gz DHZSSMHDVGRRLU-RFQIPJPRSA-N 1 1 284.356 1.027 20 5 CDBDMO CCN1CCO[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169024820 927663449 /nfs/dbraw/zinc/66/34/49/927663449.db2.gz RAYVDGHUDXGOFW-ZQDZILKHSA-N 1 1 297.399 1.084 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@@H]2C2CC2)C1 ZINC001169047858 927666054 /nfs/dbraw/zinc/66/60/54/927666054.db2.gz RXPBESVLJRKDPF-RAIGVLPGSA-N 1 1 254.330 1.543 20 5 CDBDMO CC[N@H+](C)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049587 927666725 /nfs/dbraw/zinc/66/67/25/927666725.db2.gz WOIIXERJQPHXHI-JSGCOSHPSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+](C)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049587 927666729 /nfs/dbraw/zinc/66/67/29/927666729.db2.gz WOIIXERJQPHXHI-JSGCOSHPSA-N 1 1 269.389 1.848 20 5 CDBDMO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)C1 ZINC001169050644 927670215 /nfs/dbraw/zinc/67/02/15/927670215.db2.gz CCWINVLXRIEISI-UMSGYPCISA-N 1 1 256.346 1.931 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156645544 928871033 /nfs/dbraw/zinc/87/10/33/928871033.db2.gz ABCKNIKVDHBPIH-NSHDSACASA-N 1 1 259.269 1.294 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001157263356 929400821 /nfs/dbraw/zinc/40/08/21/929400821.db2.gz AOGXRSFPPHCAPB-SKDRFNHKSA-N 1 1 277.328 1.102 20 5 CDBDMO COc1cnc(NCC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001160963094 932251461 /nfs/dbraw/zinc/25/14/61/932251461.db2.gz AEVIDCWGRLAQOP-SNVBAGLBSA-N 1 1 280.328 1.895 20 5 CDBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001246910812 932417943 /nfs/dbraw/zinc/41/79/43/932417943.db2.gz DIDHICGNWDKWIM-JTQLQIEISA-N 1 1 268.313 1.459 20 5 CDBDMO COc1ccccc1C1([NH2+]CC[N+](=O)[O-])CCC1 ZINC001119768875 937754710 /nfs/dbraw/zinc/75/47/10/937754710.db2.gz JGWFXIAWPCTVBN-UHFFFAOYSA-N 1 1 250.298 1.941 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc([N+](=O)[O-])n3)C[C@H]21 ZINC001157261594 938470735 /nfs/dbraw/zinc/47/07/35/938470735.db2.gz SCABSFFFQNKKRW-GHMZBOCLSA-N 1 1 262.313 1.520 20 5 CDBDMO O=C(NCCC[NH2+]CCC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157766822 938543097 /nfs/dbraw/zinc/54/30/97/938543097.db2.gz ADPPGBHOANYGAL-ZIAGYGMSSA-N 1 1 295.383 1.638 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3CC[C@H]3C2)n1 ZINC001158423769 938621636 /nfs/dbraw/zinc/62/16/36/938621636.db2.gz NFDOPOZAIDEERD-VIFPVBQESA-N 1 1 268.704 1.538 20 5 CDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CC[C@@H]4C3)c21 ZINC001158430323 938623627 /nfs/dbraw/zinc/62/36/27/938623627.db2.gz DEABCDRJIGGWAM-SNVBAGLBSA-N 1 1 285.307 1.432 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158865937 938673585 /nfs/dbraw/zinc/67/35/85/938673585.db2.gz GQUKXRAYFDHEAD-UHFFFAOYSA-N 1 1 262.313 1.358 20 5 CDBDMO COc1cc(C)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165152564 939520239 /nfs/dbraw/zinc/52/02/39/939520239.db2.gz YPQYXZHEOHCKPC-PHIMTYICSA-N 1 1 292.339 1.305 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001165384078 939554314 /nfs/dbraw/zinc/55/43/14/939554314.db2.gz CNSZZJJCCFGFRO-UHFFFAOYSA-N 1 1 273.296 1.823 20 5 CDBDMO C[NH+](C)Cc1ncccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225276937 941837076 /nfs/dbraw/zinc/83/70/76/941837076.db2.gz DAFIWPSJLDIOKB-CYBMUJFWSA-N 1 1 265.313 1.577 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168841 941962239 /nfs/dbraw/zinc/96/22/39/941962239.db2.gz VLBHIPWLNKKLJR-SNVBAGLBSA-N 1 1 279.296 1.167 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](C)C1 ZINC001233548940 943615243 /nfs/dbraw/zinc/61/52/43/943615243.db2.gz ANFVVFQMRCUYNQ-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574455 947532786 /nfs/dbraw/zinc/53/27/86/947532786.db2.gz HMIZGQFJEGKMFW-KGLIPLIRSA-N 1 1 290.319 1.699 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574455 947532789 /nfs/dbraw/zinc/53/27/89/947532789.db2.gz HMIZGQFJEGKMFW-KGLIPLIRSA-N 1 1 290.319 1.699 20 5 CDBDMO COCC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595937 947545879 /nfs/dbraw/zinc/54/58/79/947545879.db2.gz AKLRLJPMKATDEE-CYBMUJFWSA-N 1 1 250.298 1.640 20 5 CDBDMO Cn1cnc2c1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605257 947553550 /nfs/dbraw/zinc/55/35/50/947553550.db2.gz ASZQAABXTFFUBG-AWEZNQCLSA-N 1 1 298.346 1.854 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]13CCOC3)C2 ZINC001254610522 947557080 /nfs/dbraw/zinc/55/70/80/947557080.db2.gz KLMCZAXJRWGMGT-CABCVRRESA-N 1 1 274.320 1.927 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246086764 947937029 /nfs/dbraw/zinc/93/70/29/947937029.db2.gz MBBGAUUIACURRE-KGYLQXTDSA-N 1 1 281.331 1.815 20 5 CDBDMO Cc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001326491494 954405444 /nfs/dbraw/zinc/40/54/44/954405444.db2.gz GPPXVLCXDCIZJC-LLVKDONJSA-N 1 1 277.328 1.368 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001308036556 956461607 /nfs/dbraw/zinc/46/16/07/956461607.db2.gz XTQMDGOTNWWZLM-QMMMGPOBSA-N 1 1 292.274 1.237 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001308036556 956461613 /nfs/dbraw/zinc/46/16/13/956461613.db2.gz XTQMDGOTNWWZLM-QMMMGPOBSA-N 1 1 292.274 1.237 20 5 CDBDMO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001335959351 960123277 /nfs/dbraw/zinc/12/32/77/960123277.db2.gz PBTDYMXBVYCONO-LLVKDONJSA-N 1 1 258.705 1.894 20 5 CDBDMO COc1ccc(CNc2cc(N)[nH+]cn2)cc1[N+](=O)[O-] ZINC001322496188 960239727 /nfs/dbraw/zinc/23/97/27/960239727.db2.gz NZMSICRGHWUAQZ-UHFFFAOYSA-N 1 1 275.268 1.588 20 5 CDBDMO COc1ccc(CNc2cc(N)nc[nH+]2)cc1[N+](=O)[O-] ZINC001322496188 960239736 /nfs/dbraw/zinc/23/97/36/960239736.db2.gz NZMSICRGHWUAQZ-UHFFFAOYSA-N 1 1 275.268 1.588 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001336684559 960464559 /nfs/dbraw/zinc/46/45/59/960464559.db2.gz JHIZGMFOCQNGIM-VHSXEESVSA-N 1 1 265.317 1.367 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001515986015 969925281 /nfs/dbraw/zinc/92/52/81/969925281.db2.gz BJMJNDHPIRJHHU-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515986015 969925291 /nfs/dbraw/zinc/92/52/91/969925291.db2.gz BJMJNDHPIRJHHU-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001515986015 969925299 /nfs/dbraw/zinc/92/52/99/969925299.db2.gz BJMJNDHPIRJHHU-WFASDCNBSA-N 1 1 292.383 1.949 20 5 CDBDMO CC[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)NC ZINC000601173366 342486186 /nfs/dbraw/zinc/48/61/86/342486186.db2.gz YUTXKMKKVVWPPK-LLVKDONJSA-N 1 1 288.307 1.501 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCOCCF)c2c1 ZINC000601199033 342489868 /nfs/dbraw/zinc/48/98/68/342489868.db2.gz LJRWFLVJLPNPIS-UHFFFAOYSA-N 1 1 279.271 1.963 20 5 CDBDMO CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189455 342499011 /nfs/dbraw/zinc/49/90/11/342499011.db2.gz YQDHYEYCXODUDE-SNVBAGLBSA-N 1 1 296.323 1.833 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589189455 342499012 /nfs/dbraw/zinc/49/90/12/342499012.db2.gz YQDHYEYCXODUDE-SNVBAGLBSA-N 1 1 296.323 1.833 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3C[C@@H](CO)C3)c2c1 ZINC000601212302 342505607 /nfs/dbraw/zinc/50/56/07/342505607.db2.gz YNKNPJPSDPVDIC-AOOOYVTPSA-N 1 1 273.292 1.748 20 5 CDBDMO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599201202 343979597 /nfs/dbraw/zinc/97/95/97/343979597.db2.gz GEQLBHUVSYFOIL-JTQLQIEISA-N 1 1 251.286 1.073 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000590702364 342582396 /nfs/dbraw/zinc/58/23/96/342582396.db2.gz PBUUUTDZKPWRPX-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754563 342587897 /nfs/dbraw/zinc/58/78/97/342587897.db2.gz LGCJRHPUFCJKCH-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000340576723 361851948 /nfs/dbraw/zinc/85/19/48/361851948.db2.gz VQKNPACROJVYRE-UHFFFAOYSA-N 1 1 271.267 1.620 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573520904 361891756 /nfs/dbraw/zinc/89/17/56/361891756.db2.gz BHNSLYAJPMXDGN-UHIISALHSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC2 ZINC000595426539 343057005 /nfs/dbraw/zinc/05/70/05/343057005.db2.gz YKUTYVYPNUYMND-RISCZKNCSA-N 1 1 291.351 1.899 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCC[C@H](O)C1)CC2 ZINC000595426539 343057006 /nfs/dbraw/zinc/05/70/06/343057006.db2.gz YKUTYVYPNUYMND-RISCZKNCSA-N 1 1 291.351 1.899 20 5 CDBDMO COCC[C@@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595462836 343070647 /nfs/dbraw/zinc/07/06/47/343070647.db2.gz YFPTZICTMBGQBL-GFCCVEGCSA-N 1 1 285.300 1.176 20 5 CDBDMO Cc1noc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000595504754 343079387 /nfs/dbraw/zinc/07/93/87/343079387.db2.gz INFJRHXRAMZDSI-CQSZACIVSA-N 1 1 294.355 1.809 20 5 CDBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000565774785 365720106 /nfs/dbraw/zinc/72/01/06/365720106.db2.gz QTYQJWNJRZEDQZ-UHFFFAOYSA-N 1 1 294.286 1.881 20 5 CDBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000596298619 343291870 /nfs/dbraw/zinc/29/18/70/343291870.db2.gz YXEIUGGHOIVMCL-RYUDHWBXSA-N 1 1 291.355 1.423 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596277503 343296118 /nfs/dbraw/zinc/29/61/18/343296118.db2.gz GVKURAHPZYSUTA-VIFPVBQESA-N 1 1 266.301 1.226 20 5 CDBDMO Cc1nn(C)c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000368305728 282272512 /nfs/dbraw/zinc/27/25/12/282272512.db2.gz ZFBIJPUMCGLTFN-CYBMUJFWSA-N 1 1 279.344 1.169 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000120178503 365753783 /nfs/dbraw/zinc/75/37/83/365753783.db2.gz SRVXRQAFPLZAAN-UHFFFAOYSA-N 1 1 282.344 1.274 20 5 CDBDMO Cc1nn(C)c(N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000357551942 282274293 /nfs/dbraw/zinc/27/42/93/282274293.db2.gz UONYPGBNGFAKJS-VIFPVBQESA-N 1 1 269.349 1.777 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000612108273 347023324 /nfs/dbraw/zinc/02/33/24/347023324.db2.gz VHAQYTPGSCOXRN-XQQFMLRXSA-N 1 1 292.335 1.819 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000602824127 344610737 /nfs/dbraw/zinc/61/07/37/344610737.db2.gz WVJIFHCIRHMABG-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000602824127 344610738 /nfs/dbraw/zinc/61/07/38/344610738.db2.gz WVJIFHCIRHMABG-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(C)cn1 ZINC000602834309 344617948 /nfs/dbraw/zinc/61/79/48/344617948.db2.gz AFPVZSDLYOOLMK-UHFFFAOYSA-N 1 1 289.339 1.935 20 5 CDBDMO Cc1ccnc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292415084 362470643 /nfs/dbraw/zinc/47/06/43/362470643.db2.gz WCEBZEBXWKZIQJ-CQSZACIVSA-N 1 1 276.340 1.830 20 5 CDBDMO CC[C@@]1(O)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000602983874 344675385 /nfs/dbraw/zinc/67/53/85/344675385.db2.gz WAACRKCUPFBGTQ-GFCCVEGCSA-N 1 1 269.301 1.628 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000602983874 344675386 /nfs/dbraw/zinc/67/53/86/344675386.db2.gz WAACRKCUPFBGTQ-GFCCVEGCSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[N@H+]1C ZINC000602846661 344624621 /nfs/dbraw/zinc/62/46/21/344624621.db2.gz QEKHDVKXETVRGI-GFCCVEGCSA-N 1 1 281.360 1.126 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000602864172 344637827 /nfs/dbraw/zinc/63/78/27/344637827.db2.gz NDWRGFXUYIFNEL-CHWSQXEVSA-N 1 1 296.371 1.989 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000602864172 344637829 /nfs/dbraw/zinc/63/78/29/344637829.db2.gz NDWRGFXUYIFNEL-CHWSQXEVSA-N 1 1 296.371 1.989 20 5 CDBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000159329497 344839324 /nfs/dbraw/zinc/83/93/24/344839324.db2.gz ZMRSQRXAEZGDOJ-SNVBAGLBSA-N 1 1 262.313 1.886 20 5 CDBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)CO ZINC000293505405 362571863 /nfs/dbraw/zinc/57/18/63/362571863.db2.gz UTFOERUUMIKWOR-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO NC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000052826687 346486066 /nfs/dbraw/zinc/48/60/66/346486066.db2.gz CAMQVIRISWDBOJ-UHFFFAOYSA-N 1 1 291.351 1.867 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000611088002 346603596 /nfs/dbraw/zinc/60/35/96/346603596.db2.gz XSSIXKCXEKBRRW-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000611088002 346603599 /nfs/dbraw/zinc/60/35/99/346603599.db2.gz XSSIXKCXEKBRRW-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO C[C@@H]1COCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610990826 346566708 /nfs/dbraw/zinc/56/67/08/346566708.db2.gz PILUFDOSAAVKIJ-SNVBAGLBSA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610990826 346566711 /nfs/dbraw/zinc/56/67/11/346566711.db2.gz PILUFDOSAAVKIJ-SNVBAGLBSA-N 1 1 293.323 1.305 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000611299019 346740858 /nfs/dbraw/zinc/74/08/58/346740858.db2.gz IJIJFJWTXGARBX-UWVGGRQHSA-N 1 1 250.302 1.519 20 5 CDBDMO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000614832278 348244215 /nfs/dbraw/zinc/24/42/15/348244215.db2.gz IZVLCQVMTVCWIZ-LLVKDONJSA-N 1 1 294.355 1.271 20 5 CDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])c(N)n2)[nH+]1 ZINC000074277627 349209571 /nfs/dbraw/zinc/20/95/71/349209571.db2.gz JDYZNVIIGCRJSO-UHFFFAOYSA-N 1 1 289.299 1.194 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000074313433 349211605 /nfs/dbraw/zinc/21/16/05/349211605.db2.gz UAIYCJBWBVHHTO-NSHDSACASA-N 1 1 293.323 1.298 20 5 CDBDMO COCC[N@@H+](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692321 180025589 /nfs/dbraw/zinc/02/55/89/180025589.db2.gz YUMGMPFKRWOLDF-UHFFFAOYSA-N 1 1 268.317 1.288 20 5 CDBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091990557 180300026 /nfs/dbraw/zinc/30/00/26/180300026.db2.gz NGODLPRNWCFWGN-NSHDSACASA-N 1 1 275.312 1.879 20 5 CDBDMO C[C@@H]([N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)O ZINC000295163286 199380761 /nfs/dbraw/zinc/38/07/61/199380761.db2.gz NNCVTNLMUDWADU-SECBINFHSA-N 1 1 295.339 1.285 20 5 CDBDMO CNC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153259208 188073701 /nfs/dbraw/zinc/07/37/01/188073701.db2.gz GSBSINOYMGTKSE-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(C)[NH+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000158892224 188398609 /nfs/dbraw/zinc/39/86/09/188398609.db2.gz MGNBKTSXUCAFLU-UHFFFAOYSA-N 1 1 283.332 1.167 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271801209 191335630 /nfs/dbraw/zinc/33/56/30/191335630.db2.gz DLDMQOXYWCUHRC-UHFFFAOYSA-N 1 1 289.335 1.515 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273590430 192219469 /nfs/dbraw/zinc/21/94/69/192219469.db2.gz HETRMTDNJNEVMR-SNVBAGLBSA-N 1 1 265.317 1.529 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000193856481 363531112 /nfs/dbraw/zinc/53/11/12/363531112.db2.gz VSDJNKSAUAOXNC-ZETCQYMHSA-N 1 1 256.331 1.946 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CCCOCC1 ZINC000188490072 357903571 /nfs/dbraw/zinc/90/35/71/357903571.db2.gz PFNHVQMGZRQNEC-UHFFFAOYSA-N 1 1 283.303 1.868 20 5 CDBDMO COCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000188933519 357954263 /nfs/dbraw/zinc/95/42/63/357954263.db2.gz ZRZLRACXYUBSDT-QPJJXVBHSA-N 1 1 294.351 1.939 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192462232 358204846 /nfs/dbraw/zinc/20/48/46/358204846.db2.gz ZGJXKHQEKADVAQ-AOOOYVTPSA-N 1 1 293.298 1.368 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192465187 358205825 /nfs/dbraw/zinc/20/58/25/358205825.db2.gz URSDRDJDDFVJHX-TXEJJXNPSA-N 1 1 289.335 1.537 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361555278 358280281 /nfs/dbraw/zinc/28/02/81/358280281.db2.gz AEQWSVNKWAJBSR-ZDUSSCGKSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836268 358835860 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C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340225150 359612172 /nfs/dbraw/zinc/61/21/72/359612172.db2.gz GPKJKKYAXJMTSR-CYBMUJFWSA-N 1 1 293.323 1.184 20 5 CDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000297076370 200079023 /nfs/dbraw/zinc/07/90/23/200079023.db2.gz VTGVZXJBWRJQOB-VIFPVBQESA-N 1 1 295.343 1.183 20 5 CDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000297076370 200079025 /nfs/dbraw/zinc/07/90/25/200079025.db2.gz VTGVZXJBWRJQOB-VIFPVBQESA-N 1 1 295.343 1.183 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247995983 360295945 /nfs/dbraw/zinc/29/59/45/360295945.db2.gz JWIWRPJQSGFBKI-CHWSQXEVSA-N 1 1 293.371 1.207 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000177985150 189083394 /nfs/dbraw/zinc/08/33/94/189083394.db2.gz GCWCJUWEPHSNDP-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(O)C1 ZINC000177985150 189083395 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JFKRJPPTGMYYOB-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410242 374950126 /nfs/dbraw/zinc/95/01/26/374950126.db2.gz PFZPPMIVUQKHLO-SECBINFHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000280364179 374993986 /nfs/dbraw/zinc/99/39/86/374993986.db2.gz YIIGZWRFVZRDKJ-UHFFFAOYSA-N 1 1 289.335 1.515 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@@H]3CCOC3)C2)nc1 ZINC000332068385 375002950 /nfs/dbraw/zinc/00/29/50/375002950.db2.gz AGGRVWUSZRGQTB-ZYHUDNBSSA-N 1 1 278.312 1.265 20 5 CDBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332669046 375042906 /nfs/dbraw/zinc/04/29/06/375042906.db2.gz QHIIHOHCHBLQSG-JTQLQIEISA-N 1 1 252.318 1.949 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471946520 375059397 /nfs/dbraw/zinc/05/93/97/375059397.db2.gz MUSAWKWMHGPGOL-NSHDSACASA-N 1 1 291.351 1.933 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471946520 375059404 /nfs/dbraw/zinc/05/94/04/375059404.db2.gz MUSAWKWMHGPGOL-NSHDSACASA-N 1 1 291.351 1.933 20 5 CDBDMO CN1CC[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299434536 375170532 /nfs/dbraw/zinc/17/05/32/375170532.db2.gz ODLSFVRCZIWIRK-UHFFFAOYSA-N 1 1 296.346 1.783 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000351957611 375343805 /nfs/dbraw/zinc/34/38/05/375343805.db2.gz HEEDIWVGQZBNMH-RNCFNFMXSA-N 1 1 294.307 1.274 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000351957611 375343809 /nfs/dbraw/zinc/34/38/09/375343809.db2.gz HEEDIWVGQZBNMH-RNCFNFMXSA-N 1 1 294.307 1.274 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000049480651 375447620 /nfs/dbraw/zinc/44/76/20/375447620.db2.gz NKILCQCZHQFIJN-UHFFFAOYSA-N 1 1 281.312 1.884 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353223039 375589066 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NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174847797 379592828 /nfs/dbraw/zinc/59/28/28/379592828.db2.gz XUAHMXIBEQUGID-MRVPVSSYSA-N 1 1 283.715 1.555 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174847797 379592834 /nfs/dbraw/zinc/59/28/34/379592834.db2.gz XUAHMXIBEQUGID-MRVPVSSYSA-N 1 1 283.715 1.555 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206097 190386267 /nfs/dbraw/zinc/38/62/67/190386267.db2.gz JSBBNXVKPXSPGV-HZMBPMFUSA-N 1 1 289.335 1.807 20 5 CDBDMO CCC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557895 251339490 /nfs/dbraw/zinc/33/94/90/251339490.db2.gz BZAICDLEPHMVPN-YPMHNXCESA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491739607 253096709 /nfs/dbraw/zinc/09/67/09/253096709.db2.gz KIPOPJRBCQXGJD-IRBQFCFKSA-N 1 1 289.335 1.676 20 5 CDBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000281692462 195338868 /nfs/dbraw/zinc/33/88/68/195338868.db2.gz GERWCVAACGDYFD-LBPRGKRZSA-N 1 1 277.324 1.614 20 5 CDBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000281692462 195338871 /nfs/dbraw/zinc/33/88/71/195338871.db2.gz GERWCVAACGDYFD-LBPRGKRZSA-N 1 1 277.324 1.614 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000452037374 390982097 /nfs/dbraw/zinc/98/20/97/390982097.db2.gz LGEKYGVRVUZIRE-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573735 391241207 /nfs/dbraw/zinc/24/12/07/391241207.db2.gz SPMOPSVGTAJBID-VIFPVBQESA-N 1 1 251.290 1.199 20 5 CDBDMO Cc1nc(NCC[C@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413435606 391214080 /nfs/dbraw/zinc/21/40/80/391214080.db2.gz HJNUGVOWKUQFBG-LLVKDONJSA-N 1 1 279.344 1.259 20 5 CDBDMO Cc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396847 391630171 /nfs/dbraw/zinc/63/01/71/391630171.db2.gz UPGRYJDRXAFVHU-CQSZACIVSA-N 1 1 276.340 1.830 20 5 CDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000189488139 391765093 /nfs/dbraw/zinc/76/50/93/391765093.db2.gz IPWUOXRFORRXJC-VIFPVBQESA-N 1 1 296.249 1.036 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000189488139 391765094 /nfs/dbraw/zinc/76/50/94/391765094.db2.gz IPWUOXRFORRXJC-VIFPVBQESA-N 1 1 296.249 1.036 20 5 CDBDMO C[NH+](C)CC(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000459539025 392459633 /nfs/dbraw/zinc/45/96/33/392459633.db2.gz OQPOVVIKDFZDRU-UHFFFAOYSA-N 1 1 281.356 1.903 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270741561 392496757 /nfs/dbraw/zinc/49/67/57/392496757.db2.gz NFUAWFXUXLGDCM-NXEZZACHSA-N 1 1 278.312 1.398 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270741561 392496760 /nfs/dbraw/zinc/49/67/60/392496760.db2.gz NFUAWFXUXLGDCM-NXEZZACHSA-N 1 1 278.312 1.398 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488803936 392728067 /nfs/dbraw/zinc/72/80/67/392728067.db2.gz ZGSRCYVWIQSKKE-VXGBXAGGSA-N 1 1 280.324 1.676 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054985548 392722009 /nfs/dbraw/zinc/72/20/09/392722009.db2.gz XBELEPUCIMUVIE-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054985548 392722019 /nfs/dbraw/zinc/72/20/19/392722019.db2.gz XBELEPUCIMUVIE-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297418928 392897127 /nfs/dbraw/zinc/89/71/27/392897127.db2.gz HAVGIXQGNBJJDN-RYUDHWBXSA-N 1 1 291.355 1.756 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000420636397 392921024 /nfs/dbraw/zinc/92/10/24/392921024.db2.gz NJNNUMBTAKWVAQ-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000430208027 393093764 /nfs/dbraw/zinc/09/37/64/393093764.db2.gz OGWSOODVBBJOKO-NSHDSACASA-N 1 1 252.270 1.170 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C1 ZINC000430208027 393093769 /nfs/dbraw/zinc/09/37/69/393093769.db2.gz OGWSOODVBBJOKO-NSHDSACASA-N 1 1 252.270 1.170 20 5 CDBDMO COC[C@]1(CO)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449694162 393138634 /nfs/dbraw/zinc/13/86/34/393138634.db2.gz GFBFOECYRVPTLG-GFCCVEGCSA-N 1 1 286.353 1.487 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449694162 393138642 /nfs/dbraw/zinc/13/86/42/393138642.db2.gz GFBFOECYRVPTLG-GFCCVEGCSA-N 1 1 286.353 1.487 20 5 CDBDMO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449702745 393139942 /nfs/dbraw/zinc/13/99/42/393139942.db2.gz VDPLVQWTSDIQAA-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449702745 393139946 /nfs/dbraw/zinc/13/99/46/393139946.db2.gz VDPLVQWTSDIQAA-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO CC[N@@H+](CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000281914890 393163617 /nfs/dbraw/zinc/16/36/17/393163617.db2.gz CKMYWJADUTUHSV-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000489910107 393197445 /nfs/dbraw/zinc/19/74/45/393197445.db2.gz HTYOXYWRYKQSSX-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431948 135106931 /nfs/dbraw/zinc/10/69/31/135106931.db2.gz VLHNSDWKNXXYJO-STQMWFEESA-N 1 1 293.367 1.795 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854496 140326638 /nfs/dbraw/zinc/32/66/38/140326638.db2.gz HAMHQYIUDNXMHV-OBJOEFQTSA-N 1 1 292.335 1.806 20 5 CDBDMO CC[C@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000184264820 148342459 /nfs/dbraw/zinc/34/24/59/148342459.db2.gz PZUJOOVPDKRVMK-ZDUSSCGKSA-N 1 1 299.302 1.486 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)CO ZINC000305431137 149129740 /nfs/dbraw/zinc/12/97/40/149129740.db2.gz FALSFOAOHZPULH-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000328442719 149268838 /nfs/dbraw/zinc/26/88/38/149268838.db2.gz BAGLZRXLCRKPFT-SNVBAGLBSA-N 1 1 283.303 1.867 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCC[N@H+]1C ZINC000343561367 152225152 /nfs/dbraw/zinc/22/51/52/152225152.db2.gz QAFCSVZZOWIHAN-RKDXNWHRSA-N 1 1 267.285 1.400 20 5 CDBDMO C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343571683 152228041 /nfs/dbraw/zinc/22/80/41/152228041.db2.gz ZXDSEHXYCOFGHG-NXEZZACHSA-N 1 1 250.302 1.884 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169319 153080642 /nfs/dbraw/zinc/08/06/42/153080642.db2.gz QDLYOABGADIPCL-VXGBXAGGSA-N 1 1 281.360 1.206 20 5 CDBDMO O=C1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346447414 153191646 /nfs/dbraw/zinc/19/16/46/153191646.db2.gz GIZRXWLRSBBNRG-AWEZNQCLSA-N 1 1 289.335 1.444 20 5 CDBDMO O=C1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346447414 153191648 /nfs/dbraw/zinc/19/16/48/153191648.db2.gz GIZRXWLRSBBNRG-AWEZNQCLSA-N 1 1 289.335 1.444 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C2CCOCC2)n1 ZINC000348948223 154012686 /nfs/dbraw/zinc/01/26/86/154012686.db2.gz LUAPTHNBPREQHV-ZDUSSCGKSA-N 1 1 294.355 1.682 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000020501373 171227480 /nfs/dbraw/zinc/22/74/80/171227480.db2.gz DFJDWLPOHJPCTM-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO CC[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285273019 196238474 /nfs/dbraw/zinc/23/84/74/196238474.db2.gz ITMKGPLOAAXILY-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO CC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285273019 196238475 /nfs/dbraw/zinc/23/84/75/196238475.db2.gz ITMKGPLOAAXILY-GFCCVEGCSA-N 1 1 293.367 1.984 20 5 CDBDMO C[C@H](C(=O)N(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285353892 196258417 /nfs/dbraw/zinc/25/84/17/196258417.db2.gz PUEWVIVBJUYECY-LLVKDONJSA-N 1 1 279.340 1.546 20 5 CDBDMO C[C@H](C(=O)N(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285353892 196258418 /nfs/dbraw/zinc/25/84/18/196258418.db2.gz PUEWVIVBJUYECY-LLVKDONJSA-N 1 1 279.340 1.546 20 5 CDBDMO CCOc1cc(C[N@@H+](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000285355449 196259379 /nfs/dbraw/zinc/25/93/79/196259379.db2.gz BEMRLKBDVNBGLZ-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000044381281 413710643 /nfs/dbraw/zinc/71/06/43/413710643.db2.gz ZJZDCDGSODZOKN-CYBMUJFWSA-N 1 1 280.324 1.819 20 5 CDBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000071185865 176059994 /nfs/dbraw/zinc/05/99/94/176059994.db2.gz VGBIXVOCRBLCDQ-SNVBAGLBSA-N 1 1 292.339 1.318 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C(C)C ZINC000078686420 177371391 /nfs/dbraw/zinc/37/13/91/177371391.db2.gz GCLZSTOWGWQZOG-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000521408155 262311653 /nfs/dbraw/zinc/31/16/53/262311653.db2.gz RFOVNWISTQPUJB-UHFFFAOYSA-N 1 1 267.285 1.354 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000521408155 262311655 /nfs/dbraw/zinc/31/16/55/262311655.db2.gz RFOVNWISTQPUJB-UHFFFAOYSA-N 1 1 267.285 1.354 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331301134 264199073 /nfs/dbraw/zinc/19/90/73/264199073.db2.gz CATZPCXNEKFRPQ-QWRGUYRKSA-N 1 1 282.344 1.454 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331301134 264199075 /nfs/dbraw/zinc/19/90/75/264199075.db2.gz CATZPCXNEKFRPQ-QWRGUYRKSA-N 1 1 282.344 1.454 20 5 CDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184588998 270253949 /nfs/dbraw/zinc/25/39/49/270253949.db2.gz IDQQXZQNYPYYKH-UHFFFAOYSA-N 1 1 296.327 1.031 20 5 CDBDMO COc1c(C)c[nH+]c(Cn2nccc2[N+](=O)[O-])c1C ZINC000126862735 274089707 /nfs/dbraw/zinc/08/97/07/274089707.db2.gz JPKFBHSGVLDGRK-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCN1C ZINC000423507191 274231397 /nfs/dbraw/zinc/23/13/97/274231397.db2.gz HTFBPFRNYOUJMQ-JSGCOSHPSA-N 1 1 292.383 1.019 20 5 CDBDMO Cc1nc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000489927076 274844770 /nfs/dbraw/zinc/84/47/70/274844770.db2.gz RTHRJZDKHKJGTA-JTQLQIEISA-N 1 1 273.296 1.922 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344914 279306170 /nfs/dbraw/zinc/30/61/70/279306170.db2.gz ZXIKDLXQOXDJNR-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057700940 279345068 /nfs/dbraw/zinc/34/50/68/279345068.db2.gz LFHXABDKAHWRRJ-SECBINFHSA-N 1 1 295.314 1.946 20 5 CDBDMO CC[C@]1(C)COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330532646 281331429 /nfs/dbraw/zinc/33/14/29/281331429.db2.gz TXOOPWUTDUZVRG-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[C@]1(C)COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330532646 281331432 /nfs/dbraw/zinc/33/14/32/281331432.db2.gz TXOOPWUTDUZVRG-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152439 290331740 /nfs/dbraw/zinc/33/17/40/290331740.db2.gz VVFUOVIKKQVAAA-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000557152439 290331744 /nfs/dbraw/zinc/33/17/44/290331744.db2.gz VVFUOVIKKQVAAA-VHSXEESVSA-N 1 1 280.328 1.098 20 5 CDBDMO CO[C@H](C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355333254 294268999 /nfs/dbraw/zinc/26/89/99/294268999.db2.gz JGFMPXPVRQOUGG-SNVBAGLBSA-N 1 1 270.333 1.574 20 5 CDBDMO CO[C@H](C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355333254 294269003 /nfs/dbraw/zinc/26/90/03/294269003.db2.gz JGFMPXPVRQOUGG-SNVBAGLBSA-N 1 1 270.333 1.574 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000579663956 324244457 /nfs/dbraw/zinc/24/44/57/324244457.db2.gz KARMLIAXETVIBP-CYBMUJFWSA-N 1 1 262.313 1.522 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000579910410 324311183 /nfs/dbraw/zinc/31/11/83/324311183.db2.gz LTCITEFQORHSPL-UHFFFAOYSA-N 1 1 292.299 1.033 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443735 521745370 /nfs/dbraw/zinc/74/53/70/521745370.db2.gz RKVZGXPPOMFABB-QMMMGPOBSA-N 1 1 285.731 1.862 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000111297147 523218156 /nfs/dbraw/zinc/21/81/56/523218156.db2.gz JSBGMEFGLVJTCM-UHFFFAOYSA-N 1 1 277.324 1.926 20 5 CDBDMO CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458468 524071482 /nfs/dbraw/zinc/07/14/82/524071482.db2.gz WOTHEXGKYVXSJC-UHFFFAOYSA-N 1 1 265.313 1.551 20 5 CDBDMO CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458468 524071483 /nfs/dbraw/zinc/07/14/83/524071483.db2.gz WOTHEXGKYVXSJC-UHFFFAOYSA-N 1 1 265.313 1.551 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000769140367 576333590 /nfs/dbraw/zinc/33/35/90/576333590.db2.gz NAIHFAHUCCCFPA-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000769140367 576333591 /nfs/dbraw/zinc/33/35/91/576333591.db2.gz NAIHFAHUCCCFPA-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO COC[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739868066 576391958 /nfs/dbraw/zinc/39/19/58/576391958.db2.gz DIVXXMKKUPGPTJ-LLVKDONJSA-N 1 1 290.323 1.870 20 5 CDBDMO COCC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000747793121 576884660 /nfs/dbraw/zinc/88/46/60/576884660.db2.gz ZJHICORLKLPUAW-UHFFFAOYSA-N 1 1 268.317 1.640 20 5 CDBDMO COCC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000747793121 576884662 /nfs/dbraw/zinc/88/46/62/576884662.db2.gz ZJHICORLKLPUAW-UHFFFAOYSA-N 1 1 268.317 1.640 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035227 617429096 /nfs/dbraw/zinc/42/90/96/617429096.db2.gz BKBUMFUNVPXTCG-SECBINFHSA-N 1 1 253.306 1.223 20 5 CDBDMO COc1c(O)ccc(C[NH2+]CCN2CCCC2)c1[N+](=O)[O-] ZINC000893319113 617565413 /nfs/dbraw/zinc/56/54/13/617565413.db2.gz FHUVJCANVMDEQE-UHFFFAOYSA-N 1 1 295.339 1.494 20 5 CDBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000892674492 617581151 /nfs/dbraw/zinc/58/11/51/617581151.db2.gz WBWBOKZSYOUOPH-IUCAKERBSA-N 1 1 253.306 1.223 20 5 CDBDMO COc1c(O)ccc(C[NH2+]CC(C)(C)N(C)C)c1[N+](=O)[O-] ZINC000892431932 618195193 /nfs/dbraw/zinc/19/51/93/618195193.db2.gz YXQZGHBGRJIYIN-UHFFFAOYSA-N 1 1 297.355 1.739 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893948403 618214595 /nfs/dbraw/zinc/21/45/95/618214595.db2.gz DAUUDUTWZKXRJK-WPRPVWTQSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893948403 618214599 /nfs/dbraw/zinc/21/45/99/618214599.db2.gz DAUUDUTWZKXRJK-WPRPVWTQSA-N 1 1 282.296 1.264 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000895191268 619442269 /nfs/dbraw/zinc/44/22/69/619442269.db2.gz MHVDUHYDDNBXGO-CMPLNLGQSA-N 1 1 262.313 1.663 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000895324379 619560828 /nfs/dbraw/zinc/56/08/28/619560828.db2.gz QHKIJYOWMCQEHG-NSHDSACASA-N 1 1 297.742 1.862 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000895767380 619834270 /nfs/dbraw/zinc/83/42/70/619834270.db2.gz LZFUAKIRECLJSQ-VIFPVBQESA-N 1 1 269.276 1.342 20 5 CDBDMO O=[N+]([O-])CCNCC1([NH+]2CCSCC2)CCCC1 ZINC000899871001 622496113 /nfs/dbraw/zinc/49/61/13/622496113.db2.gz PXYRPDYEGYPWTD-UHFFFAOYSA-N 1 1 273.402 1.214 20 5 CDBDMO Cc1c(CON=C(N)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000902612785 625024462 /nfs/dbraw/zinc/02/44/62/625024462.db2.gz NCJZTHKHMVJUQR-UHFFFAOYSA-N 1 1 266.301 1.463 20 5 CDBDMO O=C(Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000905061492 626610514 /nfs/dbraw/zinc/61/05/14/626610514.db2.gz QXIZDYDVUMIPIG-ZDUSSCGKSA-N 1 1 293.323 1.170 20 5 CDBDMO C[C@H]1[C@@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905259930 626710151 /nfs/dbraw/zinc/71/01/51/626710151.db2.gz IRRDQSVXBHWBSE-JSGCOSHPSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@H]1[C@@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905259930 626710152 /nfs/dbraw/zinc/71/01/52/626710152.db2.gz IRRDQSVXBHWBSE-JSGCOSHPSA-N 1 1 263.341 1.516 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000893266846 685290545 /nfs/dbraw/zinc/29/05/45/685290545.db2.gz UUKXRCLXEDYYSW-VIFPVBQESA-N 1 1 289.295 1.622 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829439445 685454762 /nfs/dbraw/zinc/45/47/62/685454762.db2.gz CAEZQACVLJOGPN-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176093005 685652319 /nfs/dbraw/zinc/65/23/19/685652319.db2.gz JMOQJRYNVPTYQS-NSHDSACASA-N 1 1 290.323 1.870 20 5 CDBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000858325222 684547686 /nfs/dbraw/zinc/54/76/86/684547686.db2.gz QJYGPABWPFFUSV-SSDOTTSWSA-N 1 1 273.314 1.154 20 5 CDBDMO CC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192724 684628834 /nfs/dbraw/zinc/62/88/34/684628834.db2.gz YBIIQFJBIFDHIU-VIFPVBQESA-N 1 1 263.257 1.373 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210013 684738538 /nfs/dbraw/zinc/73/85/38/684738538.db2.gz KOGWXEDRLONUFJ-JTQLQIEISA-N 1 1 297.315 1.962 20 5 CDBDMO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968307 684780037 /nfs/dbraw/zinc/78/00/37/684780037.db2.gz JFSAWPUFIFVYIP-JQWIXIFHSA-N 1 1 278.356 1.970 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](CF)C1 ZINC000880236946 684799460 /nfs/dbraw/zinc/79/94/60/684799460.db2.gz MLXOPWVLGJEJOK-NSHDSACASA-N 1 1 283.303 1.438 20 5 CDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839676136 684849227 /nfs/dbraw/zinc/84/92/27/684849227.db2.gz UZLVVKCNPZAEKE-ZLDLUXBVSA-N 1 1 294.351 1.721 20 5 CDBDMO CC[NH2+]Cc1noc(-c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000843145584 684850988 /nfs/dbraw/zinc/85/09/88/684850988.db2.gz OHHJDQBLFFEOFH-UHFFFAOYSA-N 1 1 280.288 1.601 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000838149868 684852319 /nfs/dbraw/zinc/85/23/19/684852319.db2.gz QEALHNUTHOCCJN-LBPRGKRZSA-N 1 1 285.388 1.670 20 5 CDBDMO CS[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886226687 684884954 /nfs/dbraw/zinc/88/49/54/684884954.db2.gz PWTULKRCBKARMM-SNVBAGLBSA-N 1 1 253.327 1.927 20 5 CDBDMO CS[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886226687 684884956 /nfs/dbraw/zinc/88/49/56/684884956.db2.gz PWTULKRCBKARMM-SNVBAGLBSA-N 1 1 253.327 1.927 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886821923 684890534 /nfs/dbraw/zinc/89/05/34/684890534.db2.gz JSYXBIXPLOMFJX-YPMHNXCESA-N 1 1 280.328 1.292 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000054132588 684898449 /nfs/dbraw/zinc/89/84/49/684898449.db2.gz IQHVBLOALUVLNQ-UHFFFAOYSA-N 1 1 280.328 1.247 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000062350990 684955239 /nfs/dbraw/zinc/95/52/39/684955239.db2.gz QQOSCEATMZWJIW-UKRRQHHQSA-N 1 1 294.351 1.865 20 5 CDBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210014 685094171 /nfs/dbraw/zinc/09/41/71/685094171.db2.gz KOGWXEDRLONUFJ-SNVBAGLBSA-N 1 1 297.315 1.962 20 5 CDBDMO Cc1c(CC(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928560132 685768162 /nfs/dbraw/zinc/76/81/62/685768162.db2.gz SMEOTSYSUAUGFF-GFCCVEGCSA-N 1 1 277.324 1.266 20 5 CDBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776582938 686023154 /nfs/dbraw/zinc/02/31/54/686023154.db2.gz DKUJOACPYSNVED-ZDUSSCGKSA-N 1 1 282.340 1.721 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121183158 686668031 /nfs/dbraw/zinc/66/80/31/686668031.db2.gz RNWWWBOYRHELMM-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121183158 686668042 /nfs/dbraw/zinc/66/80/42/686668042.db2.gz RNWWWBOYRHELMM-LBPRGKRZSA-N 1 1 290.323 1.931 20 5 CDBDMO O=[N+]([O-])c1ccnn1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172512026 686769748 /nfs/dbraw/zinc/76/97/48/686769748.db2.gz OHJWDQXYHYQBCX-UHFFFAOYSA-N 1 1 293.371 1.699 20 5 CDBDMO CC[C@@H]([NH2+]C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000854142282 686877005 /nfs/dbraw/zinc/87/70/05/686877005.db2.gz HTDLFCWAYAAVET-SNVBAGLBSA-N 1 1 277.284 1.634 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000804381301 687147356 /nfs/dbraw/zinc/14/73/56/687147356.db2.gz MQVNSBACMJRQML-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000804381301 687147357 /nfs/dbraw/zinc/14/73/57/687147357.db2.gz MQVNSBACMJRQML-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO O=C1CCN1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000857236915 687199304 /nfs/dbraw/zinc/19/93/04/687199304.db2.gz KIDDRRHTTHDDCT-CYBMUJFWSA-N 1 1 289.335 1.964 20 5 CDBDMO O=C1CCN1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000857236915 687199311 /nfs/dbraw/zinc/19/93/11/687199311.db2.gz KIDDRRHTTHDDCT-CYBMUJFWSA-N 1 1 289.335 1.964 20 5 CDBDMO Cn1c[nH+]cc1CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000853661948 687226747 /nfs/dbraw/zinc/22/67/47/687226747.db2.gz AKCOULMWLJWXGF-UHFFFAOYSA-N 1 1 262.269 1.532 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000815272746 687701113 /nfs/dbraw/zinc/70/11/13/687701113.db2.gz VWKZREXMNVFYDU-IUODEOHRSA-N 1 1 294.351 1.723 20 5 CDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909288 687794750 /nfs/dbraw/zinc/79/47/50/687794750.db2.gz VZYDRVPTBYYYOF-RISCZKNCSA-N 1 1 282.340 1.985 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000776581396 688038035 /nfs/dbraw/zinc/03/80/35/688038035.db2.gz DGBMBZPQSGZUPQ-STQMWFEESA-N 1 1 266.297 1.085 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000062351222 688047888 /nfs/dbraw/zinc/04/78/88/688047888.db2.gz WSJQFUPXSPNJIQ-HIFRSBDPSA-N 1 1 294.351 1.865 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000159937362 688189312 /nfs/dbraw/zinc/18/93/12/688189312.db2.gz UNHZDWBSBZAGQC-UHFFFAOYSA-N 1 1 266.232 1.893 20 5 CDBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080677 1171326286 /nfs/dbraw/zinc/32/62/86/1171326286.db2.gz FRUFQKNFTCEFMZ-FZMZJTMJSA-N 1 1 295.314 1.729 20 5 CDBDMO C[C@]([NH3+])(C(=O)Nc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC001576086710 1171330728 /nfs/dbraw/zinc/33/07/28/1171330728.db2.gz YWGULLLDIKQWRN-GFCCVEGCSA-N 1 1 276.252 1.395 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CO)C1 ZINC001173226825 912319852 /nfs/dbraw/zinc/31/98/52/912319852.db2.gz LUUYRFIUOPRREA-WCQYABFASA-N 1 1 264.325 1.840 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228655043 907536191 /nfs/dbraw/zinc/53/61/91/907536191.db2.gz OYYBMZBYFAJWMS-VIFPVBQESA-N 1 1 252.274 1.248 20 5 CDBDMO Cc1cccc(C[N@@H+]2CC[C@H](NCC[N+](=O)[O-])C2)c1 ZINC001120524498 912037963 /nfs/dbraw/zinc/03/79/63/912037963.db2.gz KSUGTGYVFOINFJ-AWEZNQCLSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1cccc(C[N@H+]2CC[C@H](NCC[N+](=O)[O-])C2)c1 ZINC001120524498 912037976 /nfs/dbraw/zinc/03/79/76/912037976.db2.gz KSUGTGYVFOINFJ-AWEZNQCLSA-N 1 1 263.341 1.436 20 5 CDBDMO Cc1[nH+]ccn1CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837925486 936861190 /nfs/dbraw/zinc/86/11/90/936861190.db2.gz OBYFYGQDAGFNGO-UHFFFAOYSA-N 1 1 283.328 1.960 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCN2CCCCC2)C1 ZINC001168976702 927562958 /nfs/dbraw/zinc/56/29/58/927562958.db2.gz FMGKAXRCGNLDCX-UONOGXRCSA-N 1 1 269.389 1.897 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H](F)C[C@@H](CO)C2)C1 ZINC001169006005 927609005 /nfs/dbraw/zinc/60/90/05/927609005.db2.gz FDNANJPNVGNLMU-KKOKHZNYSA-N 1 1 260.309 1.084 20 5 CDBDMO C[N@@H+](CC1CCOCC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010036 927614338 /nfs/dbraw/zinc/61/43/38/927614338.db2.gz AJYFIYPOKDNIHM-QWHCGFSZSA-N 1 1 256.346 1.790 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC001169010611 927616483 /nfs/dbraw/zinc/61/64/83/927616483.db2.gz FDPYJUQYZAYGMO-MCIONIFRSA-N 1 1 268.357 1.934 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC3(COC3)C2)C1 ZINC001169012551 927619599 /nfs/dbraw/zinc/61/95/99/927619599.db2.gz RAQPCCLJYVVTMD-RYUDHWBXSA-N 1 1 254.330 1.544 20 5 CDBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035787 927643849 /nfs/dbraw/zinc/64/38/49/927643849.db2.gz CHTKHZXAXONUSS-CYDGBPFRSA-N 1 1 286.372 1.951 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036514 927644352 /nfs/dbraw/zinc/64/43/52/927644352.db2.gz GHPIIHXTQFQFOX-SRVKXCTJSA-N 1 1 256.346 1.667 20 5 CDBDMO COC(=O)CC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169037524 927646751 /nfs/dbraw/zinc/64/67/51/927646751.db2.gz SBJLCBZMCRIBQN-AGIUHOORSA-N 1 1 284.356 1.707 20 5 CDBDMO CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039103 927649963 /nfs/dbraw/zinc/64/99/63/927649963.db2.gz NBNCSICQZRUVLF-AVGNSLFASA-N 1 1 254.330 1.875 20 5 CDBDMO Cc1noc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001169039249 927650058 /nfs/dbraw/zinc/65/00/58/927650058.db2.gz OPONELLQOCUNIQ-TUAOUCFPSA-N 1 1 280.328 1.960 20 5 CDBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169042131 927656795 /nfs/dbraw/zinc/65/67/95/927656795.db2.gz CZFWEROHJHMMQO-WOPDTQHZSA-N 1 1 270.329 1.317 20 5 CDBDMO O=C1CC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044817 927657464 /nfs/dbraw/zinc/65/74/64/927657464.db2.gz IYQWWZJJRLTGOV-OBJOEFQTSA-N 1 1 282.340 1.603 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)O1 ZINC000852019341 927690041 /nfs/dbraw/zinc/69/00/41/927690041.db2.gz YJKVSWSUVRIKFB-ZDUSSCGKSA-N 1 1 278.308 1.775 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116136336 937432793 /nfs/dbraw/zinc/43/27/93/937432793.db2.gz YDKNCEBBVGRTAQ-UHFFFAOYSA-N 1 1 277.324 1.777 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001170896233 930690444 /nfs/dbraw/zinc/69/04/44/930690444.db2.gz CWTLGFWMKQZCMW-LBPRGKRZSA-N 1 1 279.344 1.304 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928564524 933160704 /nfs/dbraw/zinc/16/07/04/933160704.db2.gz XPHBDYDWOMAIFN-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928564524 933160706 /nfs/dbraw/zinc/16/07/06/933160706.db2.gz XPHBDYDWOMAIFN-JTQLQIEISA-N 1 1 279.296 1.037 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@H+]1C ZINC001120972281 937850761 /nfs/dbraw/zinc/85/07/61/937850761.db2.gz PRCNUQAQCABDAG-SNVBAGLBSA-N 1 1 280.328 1.895 20 5 CDBDMO C[NH2+][C@H]1CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001156639530 938398988 /nfs/dbraw/zinc/39/89/88/938398988.db2.gz UPBUKZHWZUVICE-MRVPVSSYSA-N 1 1 292.673 1.944 20 5 CDBDMO COc1cc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157266648 938472667 /nfs/dbraw/zinc/47/26/67/938472667.db2.gz VRSGURSMRGHPQM-PWSUYJOCSA-N 1 1 292.339 1.529 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cccc([N+](=O)[O-])n2)C[C@@H]1C ZINC001158494130 938629909 /nfs/dbraw/zinc/62/99/09/938629909.db2.gz CUUREQKTQUXVPG-NSHDSACASA-N 1 1 264.329 1.909 20 5 CDBDMO O=C(NCCC1=CC[N@@H+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160097894 938768756 /nfs/dbraw/zinc/76/87/56/938768756.db2.gz ORVDGPLHYTXTFJ-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCCC1=CC[N@H+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160097894 938768758 /nfs/dbraw/zinc/76/87/58/938768758.db2.gz ORVDGPLHYTXTFJ-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO O=C(NCCC1=CC[N@@H+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160097894 938768760 /nfs/dbraw/zinc/76/87/60/938768760.db2.gz ORVDGPLHYTXTFJ-ZIAGYGMSSA-N 1 1 293.367 1.200 20 5 CDBDMO Cc1c(C)c(N2CCC(F)(F)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001164322433 939455294 /nfs/dbraw/zinc/45/52/94/939455294.db2.gz ANAYMNDVGSQMTG-SNVBAGLBSA-N 1 1 286.282 1.779 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165385361 939555049 /nfs/dbraw/zinc/55/50/49/939555049.db2.gz RGYCTULDRFEFBT-UHFFFAOYSA-N 1 1 277.259 1.654 20 5 CDBDMO CCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114912 941658811 /nfs/dbraw/zinc/65/88/11/941658811.db2.gz WXLGNVHOEWKIFE-ZIAGYGMSSA-N 1 1 297.399 1.670 20 5 CDBDMO COc1ccc(COC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223515034 941683206 /nfs/dbraw/zinc/68/32/06/941683206.db2.gz COHAUKKJYFDTIS-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc(COC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223515034 941683208 /nfs/dbraw/zinc/68/32/08/941683208.db2.gz COHAUKKJYFDTIS-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001225616894 941888376 /nfs/dbraw/zinc/88/83/76/941888376.db2.gz YZIKYRJFRPQPNI-GFCCVEGCSA-N 1 1 296.323 1.703 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334531 941988677 /nfs/dbraw/zinc/98/86/77/941988677.db2.gz WGIVHXMUBRQIBM-VIFPVBQESA-N 1 1 252.270 1.773 20 5 CDBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001227121687 942135884 /nfs/dbraw/zinc/13/58/84/942135884.db2.gz FGIUUZXWFRAZTJ-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227257821 942159541 /nfs/dbraw/zinc/15/95/41/942159541.db2.gz FSACXGVLWZVJPC-ZIAGYGMSSA-N 1 1 297.399 1.813 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)C1 ZINC001254550325 947522711 /nfs/dbraw/zinc/52/27/11/947522711.db2.gz HRFWQIPIVFJXPP-DGCLKSJQSA-N 1 1 264.325 1.983 20 5 CDBDMO CN(C)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568876 947531299 /nfs/dbraw/zinc/53/12/99/947531299.db2.gz VOPQWDGIUIEUNZ-CYBMUJFWSA-N 1 1 263.341 1.603 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599282 947548498 /nfs/dbraw/zinc/54/84/98/947548498.db2.gz NCJDCVLJGNEGQG-OWYVNGRQSA-N 1 1 262.309 1.517 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047576 955171847 /nfs/dbraw/zinc/17/18/47/955171847.db2.gz XRAJEQFCLPLTAB-AOOOYVTPSA-N 1 1 297.315 1.677 20 5 CDBDMO Cc1cccnc1OC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001335958019 960123167 /nfs/dbraw/zinc/12/31/67/960123167.db2.gz IWOWSPMJUOZQAW-UHFFFAOYSA-N 1 1 265.313 1.510 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483344 961224861 /nfs/dbraw/zinc/22/48/61/961224861.db2.gz YWYNUPPKXIYINA-CYBMUJFWSA-N 1 1 277.324 1.809 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)CC[C@H]21 ZINC001339629618 962455534 /nfs/dbraw/zinc/45/55/34/962455534.db2.gz PFSQVYGDERNHHH-ZYHUDNBSSA-N 1 1 291.355 1.493 20 5 CDBDMO Nc1c(Cl)cc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC001516530458 969944521 /nfs/dbraw/zinc/94/45/21/969944521.db2.gz NEERSWGMAYOJOY-UHFFFAOYSA-N 1 1 299.714 1.693 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)CCF)c2c1 ZINC000601184501 342489090 /nfs/dbraw/zinc/48/90/90/342489090.db2.gz LHKWGKFQRHAYIM-VIFPVBQESA-N 1 1 279.271 1.697 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ccsc2[N+](=O)[O-])C1 ZINC000601144918 342481262 /nfs/dbraw/zinc/48/12/62/342481262.db2.gz YFLSYOYSQGZOLI-SNVBAGLBSA-N 1 1 257.315 1.135 20 5 CDBDMO O=[N+]([O-])c1sccc1NCC[NH+]1CCC(O)CC1 ZINC000321417254 341997209 /nfs/dbraw/zinc/99/72/09/341997209.db2.gz KOBWQLDLVSEXEO-UHFFFAOYSA-N 1 1 271.342 1.525 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601232530 342537704 /nfs/dbraw/zinc/53/77/04/342537704.db2.gz RULLKUIKGYNDBO-NXEZZACHSA-N 1 1 295.314 1.946 20 5 CDBDMO CC(C)[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591148061 342618615 /nfs/dbraw/zinc/61/86/15/342618615.db2.gz ZSAWQVRJKIPAMM-GFCCVEGCSA-N 1 1 282.319 1.905 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591148061 342618616 /nfs/dbraw/zinc/61/86/16/342618616.db2.gz ZSAWQVRJKIPAMM-GFCCVEGCSA-N 1 1 282.319 1.905 20 5 CDBDMO CN(CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000592477487 342699144 /nfs/dbraw/zinc/69/91/44/342699144.db2.gz YAYYMAWSSNCRIA-UHFFFAOYSA-N 1 1 253.302 1.002 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000593060865 342760919 /nfs/dbraw/zinc/76/09/19/342760919.db2.gz DSYTYBJVXBUAOC-WCQYABFASA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)CO1 ZINC000593060865 342760920 /nfs/dbraw/zinc/76/09/20/342760920.db2.gz DSYTYBJVXBUAOC-WCQYABFASA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@@H](O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054894 342872807 /nfs/dbraw/zinc/87/28/07/342872807.db2.gz HFYFJKXXZQZKCN-LLVKDONJSA-N 1 1 280.324 1.819 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201685 342879902 /nfs/dbraw/zinc/87/99/02/342879902.db2.gz PGFQPJJAORTTFO-QWRGUYRKSA-N 1 1 293.323 1.935 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382342 342263842 /nfs/dbraw/zinc/26/38/42/342263842.db2.gz AOIPJMGGOHCTHI-SNVBAGLBSA-N 1 1 278.312 1.137 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595291178 343024922 /nfs/dbraw/zinc/02/49/22/343024922.db2.gz HLLLIXQRUKRMHK-VIFPVBQESA-N 1 1 255.274 1.096 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595291178 343024923 /nfs/dbraw/zinc/02/49/23/343024923.db2.gz HLLLIXQRUKRMHK-VIFPVBQESA-N 1 1 255.274 1.096 20 5 CDBDMO CCN1CC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595477186 343064783 /nfs/dbraw/zinc/06/47/83/343064783.db2.gz RQGLLPMBTXDUHJ-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595549922 343085638 /nfs/dbraw/zinc/08/56/38/343085638.db2.gz GAABKKYCSVNZAE-SCZZXKLOSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595549922 343085640 /nfs/dbraw/zinc/08/56/40/343085640.db2.gz GAABKKYCSVNZAE-SCZZXKLOSA-N 1 1 269.301 1.342 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000078329687 342335623 /nfs/dbraw/zinc/33/56/23/342335623.db2.gz UZERGJHBEYUGBO-UHFFFAOYSA-N 1 1 299.334 1.707 20 5 CDBDMO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(C)c[nH+]1 ZINC000535035624 282227882 /nfs/dbraw/zinc/22/78/82/282227882.db2.gz FXNUKTQBCIALQK-UHFFFAOYSA-N 1 1 289.295 1.254 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810271 343160702 /nfs/dbraw/zinc/16/07/02/343160702.db2.gz LLBBJZMKKSPZSL-JHJVBQTASA-N 1 1 292.335 1.676 20 5 CDBDMO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000596110603 343229987 /nfs/dbraw/zinc/22/99/87/343229987.db2.gz QPAVXFQNYPFAIZ-QMMMGPOBSA-N 1 1 266.301 1.590 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000612077731 347004383 /nfs/dbraw/zinc/00/43/83/347004383.db2.gz KXDYZAMBMIMTLT-NSHDSACASA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000602780791 344596457 /nfs/dbraw/zinc/59/64/57/344596457.db2.gz LRRNTNBFVCHLHI-VHSXEESVSA-N 1 1 284.385 1.926 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000602795319 344586687 /nfs/dbraw/zinc/58/66/87/344586687.db2.gz AIBMAMAPOXRDCQ-WDEREUQCSA-N 1 1 281.360 1.124 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000602821091 344609812 /nfs/dbraw/zinc/60/98/12/344609812.db2.gz KMXDTAKOICJUPI-LBPRGKRZSA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000602821091 344609814 /nfs/dbraw/zinc/60/98/14/344609814.db2.gz KMXDTAKOICJUPI-LBPRGKRZSA-N 1 1 296.371 1.847 20 5 CDBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000273230601 192081926 /nfs/dbraw/zinc/08/19/26/192081926.db2.gz WXDNRZORNXNSSK-LBPRGKRZSA-N 1 1 295.343 1.154 20 5 CDBDMO O=[N+]([O-])c1sccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000610280823 346242821 /nfs/dbraw/zinc/24/28/21/346242821.db2.gz KHCSDGCIOIPXBL-NSHDSACASA-N 1 1 297.380 1.815 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610282674 346243297 /nfs/dbraw/zinc/24/32/97/346243297.db2.gz IUAPRINHJMYLJS-NSHDSACASA-N 1 1 281.360 1.496 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000611299101 346740721 /nfs/dbraw/zinc/74/07/21/346740721.db2.gz OAHJPMUUPFPWNU-GHMZBOCLSA-N 1 1 264.329 1.827 20 5 CDBDMO O=[N+]([O-])c1ccsc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611412055 346779270 /nfs/dbraw/zinc/77/92/70/346779270.db2.gz FQCZWVJSZWRBRD-ZYHUDNBSSA-N 1 1 297.380 1.692 20 5 CDBDMO COCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000066380197 348982743 /nfs/dbraw/zinc/98/27/43/348982743.db2.gz UVWMZFNPIPNTKI-NSHDSACASA-N 1 1 295.339 1.890 20 5 CDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000067703510 349033453 /nfs/dbraw/zinc/03/34/53/349033453.db2.gz QCNIRHOUHCIQRN-GFCCVEGCSA-N 1 1 289.335 1.870 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC000091549822 180189112 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C[N@H+]1CC=C(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000271773351 191317311 /nfs/dbraw/zinc/31/73/11/191317311.db2.gz CAIGFYDOLGJWIX-UHFFFAOYSA-N 1 1 261.325 1.946 20 5 CDBDMO C[N@@H+]1CC=C(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000271773351 191317313 /nfs/dbraw/zinc/31/73/13/191317313.db2.gz CAIGFYDOLGJWIX-UHFFFAOYSA-N 1 1 261.325 1.946 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC[C@@H]21 ZINC000269000351 366306575 /nfs/dbraw/zinc/30/65/75/366306575.db2.gz JNPVXPJJVKRTJP-JQWIXIFHSA-N 1 1 292.339 1.479 20 5 CDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000283374564 357554648 /nfs/dbraw/zinc/55/46/48/357554648.db2.gz RFNUCHWTAONBSK-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO COC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189433638 358011539 /nfs/dbraw/zinc/01/15/39/358011539.db2.gz RHHBDBFHYXYGQM-IUODEOHRSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189433638 358011540 /nfs/dbraw/zinc/01/15/40/358011540.db2.gz RHHBDBFHYXYGQM-IUODEOHRSA-N 1 1 294.351 1.873 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189549215 358025276 /nfs/dbraw/zinc/02/52/76/358025276.db2.gz HCKCNYSJRFAAEY-CHWSQXEVSA-N 1 1 293.367 1.482 20 5 CDBDMO CC[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000337456111 358044605 /nfs/dbraw/zinc/04/46/05/358044605.db2.gz XHLVHBUJHDINNK-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000337456111 358044607 /nfs/dbraw/zinc/04/46/07/358044607.db2.gz XHLVHBUJHDINNK-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)CO ZINC000294736776 199159278 /nfs/dbraw/zinc/15/92/78/199159278.db2.gz GVPJNQPJIHIKJB-UHFFFAOYSA-N 1 1 297.311 1.953 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)CO ZINC000294736776 199159279 /nfs/dbraw/zinc/15/92/79/199159279.db2.gz GVPJNQPJIHIKJB-UHFFFAOYSA-N 1 1 297.311 1.953 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000361472400 358219777 /nfs/dbraw/zinc/21/97/77/358219777.db2.gz XFUSYYLTHBIMRD-AAEUAGOBSA-N 1 1 296.371 1.663 20 5 CDBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176262178 358764293 /nfs/dbraw/zinc/76/42/93/358764293.db2.gz CSZXWNOYANGEHE-WDEREUQCSA-N 1 1 252.318 1.912 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251607938 366516416 /nfs/dbraw/zinc/51/64/16/366516416.db2.gz DJABZBXMZMYFME-ZWNOBZJWSA-N 1 1 278.308 1.836 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450330750 358891906 /nfs/dbraw/zinc/89/19/06/358891906.db2.gz POCVDBASTFIYAP-VIFPVBQESA-N 1 1 265.317 1.224 20 5 CDBDMO CC[N@@H+](C[C@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291317002 358929257 /nfs/dbraw/zinc/92/92/57/358929257.db2.gz UGVPAQWBRIMNEW-SMDDNHRTSA-N 1 1 282.340 1.985 20 5 CDBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000104189544 358949708 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C[C@H]([N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211001 239304321 /nfs/dbraw/zinc/30/43/21/239304321.db2.gz UQWBUFKBMFAJNQ-GWCFXTLKSA-N 1 1 282.340 1.719 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000580594230 363925334 /nfs/dbraw/zinc/92/53/34/363925334.db2.gz RCWSOQIMHWUXRY-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000580594230 363925335 /nfs/dbraw/zinc/92/53/35/363925335.db2.gz RCWSOQIMHWUXRY-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367710483 364823893 /nfs/dbraw/zinc/82/38/93/364823893.db2.gz YUAUZLAECOMZHH-PYEVWLCESA-N 1 1 289.335 1.805 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270827370 366934468 /nfs/dbraw/zinc/93/44/68/366934468.db2.gz CCEPHEFGYCCQRQ-OCCSQVGLSA-N 1 1 264.325 1.840 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000271927704 367036566 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CDBDMO C[N@H+](CCn1cccn1)Cc1ccccc1[N+](=O)[O-] ZINC000049983332 373023212 /nfs/dbraw/zinc/02/32/12/373023212.db2.gz KKIVKCGDBFJJPF-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO C[N@@H+](CCn1cccn1)Cc1ccccc1[N+](=O)[O-] ZINC000049983332 373023221 /nfs/dbraw/zinc/02/32/21/373023221.db2.gz KKIVKCGDBFJJPF-UHFFFAOYSA-N 1 1 260.297 1.923 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)C(C)C ZINC000311688630 374263437 /nfs/dbraw/zinc/26/34/37/374263437.db2.gz KMCFEGYCESDSNN-UHFFFAOYSA-N 1 1 269.349 1.872 20 5 CDBDMO Cc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301722974 374249415 /nfs/dbraw/zinc/24/94/15/374249415.db2.gz RXWNYEIDPBRKND-NWDGAFQWSA-N 1 1 293.371 1.557 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@@H](O)C3)C2)nc1 ZINC000420935033 374304049 /nfs/dbraw/zinc/30/40/49/374304049.db2.gz LEOJALYIZPAQCF-WZRBSPASSA-N 1 1 292.339 1.247 20 5 CDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299683814 374403131 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CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)nc1 ZINC000331422509 374950197 /nfs/dbraw/zinc/95/01/97/374950197.db2.gz LCGKAYOYEWLTFN-RYUDHWBXSA-N 1 1 292.339 1.513 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331463986 374957224 /nfs/dbraw/zinc/95/72/24/374957224.db2.gz HENBTMFAEQMFOC-SNVBAGLBSA-N 1 1 291.307 1.267 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331463986 374957230 /nfs/dbraw/zinc/95/72/30/374957230.db2.gz HENBTMFAEQMFOC-SNVBAGLBSA-N 1 1 291.307 1.267 20 5 CDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCO ZINC000347336611 375573862 /nfs/dbraw/zinc/57/38/62/375573862.db2.gz BDJPAWBIDOODPY-FLIBITNWSA-N 1 1 250.298 1.922 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217361519 375622791 /nfs/dbraw/zinc/62/27/91/375622791.db2.gz WMFBHWQZAYYNMT-ZJUUUORDSA-N 1 1 265.317 1.367 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000355195270 375781784 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COc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000278785590 194154005 /nfs/dbraw/zinc/15/40/05/194154005.db2.gz PUEWFYZRWWAKTA-AOOOYVTPSA-N 1 1 295.314 1.740 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000266997019 190296280 /nfs/dbraw/zinc/29/62/80/190296280.db2.gz BLCOQRGVYFTASI-SNVBAGLBSA-N 1 1 295.314 1.821 20 5 CDBDMO CCC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557882 251338716 /nfs/dbraw/zinc/33/87/16/251338716.db2.gz BZAICDLEPHMVPN-AAEUAGOBSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863464 253106845 /nfs/dbraw/zinc/10/68/45/253106845.db2.gz CJGZBZJBSVTGHS-DANTVBBOSA-N 1 1 289.335 1.818 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491637272 253093893 /nfs/dbraw/zinc/09/38/93/253093893.db2.gz IHEOUHDHUUQTLD-URWSZGRFSA-N 1 1 289.335 1.676 20 5 CDBDMO C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312479 197293292 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CC(C)[N@H+]1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953094 390581834 /nfs/dbraw/zinc/58/18/34/390581834.db2.gz WYWQNIHRGUGUTB-NSHDSACASA-N 1 1 264.329 1.909 20 5 CDBDMO C[C@H]1COCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371100583 390536986 /nfs/dbraw/zinc/53/69/86/390536986.db2.gz PGJKUTQLCBCQEN-RISCZKNCSA-N 1 1 280.324 1.597 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000338421962 390662522 /nfs/dbraw/zinc/66/25/22/390662522.db2.gz FMHNAWAXSUIFQB-UHFFFAOYSA-N 1 1 265.313 1.665 20 5 CDBDMO CC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360842434 390595224 /nfs/dbraw/zinc/59/52/24/390595224.db2.gz NTTPWNLVSDDZNZ-UHFFFAOYSA-N 1 1 277.324 1.939 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413285900 391191020 /nfs/dbraw/zinc/19/10/20/391191020.db2.gz YBAVJFGJXUXIPK-SECBINFHSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000413285900 391191023 /nfs/dbraw/zinc/19/10/23/391191023.db2.gz 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291.351 1.690 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083891 159065641 /nfs/dbraw/zinc/06/56/41/159065641.db2.gz BVGWHCLFODJPOA-VXGBXAGGSA-N 1 1 280.324 1.534 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000362861808 159255367 /nfs/dbraw/zinc/25/53/67/159255367.db2.gz GDPPLFZMJVMQOR-AAEUAGOBSA-N 1 1 291.351 1.451 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)N(C)C ZINC000348924723 287152106 /nfs/dbraw/zinc/15/21/06/287152106.db2.gz YGYUXRRYQVUFCQ-NSHDSACASA-N 1 1 294.355 1.859 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)N(C)C ZINC000348924723 287152107 /nfs/dbraw/zinc/15/21/07/287152107.db2.gz YGYUXRRYQVUFCQ-NSHDSACASA-N 1 1 294.355 1.859 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889230 176290958 /nfs/dbraw/zinc/29/09/58/176290958.db2.gz XNWQXQOWROTARO-LBPRGKRZSA-N 1 1 263.341 1.773 20 5 CDBDMO C[C@H]1CN(C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889230 176290961 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CC[N@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000125227776 276165430 /nfs/dbraw/zinc/16/54/30/276165430.db2.gz JLVQOVRVFYYPQU-UHFFFAOYSA-N 1 1 264.329 1.830 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000020479006 277051028 /nfs/dbraw/zinc/05/10/28/277051028.db2.gz CADIXLCFFYUAMY-UHFFFAOYSA-N 1 1 263.297 1.373 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000192493964 277084974 /nfs/dbraw/zinc/08/49/74/277084974.db2.gz NHCKMWPNOUVQQO-UWVGGRQHSA-N 1 1 282.369 1.972 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000277899876 281012221 /nfs/dbraw/zinc/01/22/21/281012221.db2.gz XOELGJLFATVJFR-STQMWFEESA-N 1 1 293.367 1.795 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977279 281062566 /nfs/dbraw/zinc/06/25/66/281062566.db2.gz GKMSKQKOGNPNRU-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(F)(F)C[NH3+] ZINC000162576725 281257665 /nfs/dbraw/zinc/25/76/65/281257665.db2.gz UUDCPGHPOQUVSO-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000552241061 290061934 /nfs/dbraw/zinc/06/19/34/290061934.db2.gz PYJUQSNCNMZSCI-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000552241061 290061935 /nfs/dbraw/zinc/06/19/35/290061935.db2.gz PYJUQSNCNMZSCI-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000584378624 329307016 /nfs/dbraw/zinc/30/70/16/329307016.db2.gz QPRGZVOJYBEOOM-CQSZACIVSA-N 1 1 282.340 1.813 20 5 CDBDMO CC[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000071969741 521119315 /nfs/dbraw/zinc/11/93/15/521119315.db2.gz XQJGBWCFECLYJR-UHFFFAOYSA-N 1 1 254.286 1.288 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078727821 522923177 /nfs/dbraw/zinc/92/31/77/522923177.db2.gz LRZWMDAIFCWELU-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO CC[C@@]1(C)COCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340877493 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COc1cc(CN[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000729681621 574820515 /nfs/dbraw/zinc/82/05/15/574820515.db2.gz FPRLFYHMIATBDJ-NSHDSACASA-N 1 1 295.339 1.406 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771463804 575581403 /nfs/dbraw/zinc/58/14/03/575581403.db2.gz ZKSZMMDTSCRQED-LALPHHSUSA-N 1 1 293.367 1.653 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694339 576958383 /nfs/dbraw/zinc/95/83/83/576958383.db2.gz VYDGFMHPHFPFGG-DOMZBBRYSA-N 1 1 293.367 1.654 20 5 CDBDMO CC[N@H+](CCOc1ccccc1C)CC[N+](=O)[O-] ZINC000930749771 617530463 /nfs/dbraw/zinc/53/04/63/617530463.db2.gz HBUUWTUNVNSXAX-UHFFFAOYSA-N 1 1 252.314 1.972 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1C)CC[N+](=O)[O-] ZINC000930749771 617530465 /nfs/dbraw/zinc/53/04/65/617530465.db2.gz HBUUWTUNVNSXAX-UHFFFAOYSA-N 1 1 252.314 1.972 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000893710443 617913455 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C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000157694475 630609376 /nfs/dbraw/zinc/60/93/76/630609376.db2.gz HOOXQJYSIYLOFH-NXEZZACHSA-N 1 1 295.314 1.946 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877493637 693873061 /nfs/dbraw/zinc/87/30/61/693873061.db2.gz NDDDXJVEVFHUPW-HNNXBMFYSA-N 1 1 291.351 1.909 20 5 CDBDMO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930481903 693873463 /nfs/dbraw/zinc/87/34/63/693873463.db2.gz UATAAQKUDLRVOY-LLVKDONJSA-N 1 1 273.333 1.252 20 5 CDBDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930481903 693873465 /nfs/dbraw/zinc/87/34/65/693873465.db2.gz UATAAQKUDLRVOY-LLVKDONJSA-N 1 1 273.333 1.252 20 5 CDBDMO CC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000823075583 694896373 /nfs/dbraw/zinc/89/63/73/694896373.db2.gz PRLPLCRZYWLGJL-UHFFFAOYSA-N 1 1 271.361 1.422 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCC[NH+]1CCC1 ZINC000861389278 694038663 /nfs/dbraw/zinc/03/86/63/694038663.db2.gz GNYLXWWINKAGFC-UHFFFAOYSA-N 1 1 280.280 1.466 20 5 CDBDMO COCC[N@H+](CCC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000096537450 688352606 /nfs/dbraw/zinc/35/26/06/688352606.db2.gz JMUSQGPMQMOZST-UHFFFAOYSA-N 1 1 296.323 1.606 20 5 CDBDMO COCC[N@@H+](CCC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000096537450 688352612 /nfs/dbraw/zinc/35/26/12/688352612.db2.gz JMUSQGPMQMOZST-UHFFFAOYSA-N 1 1 296.323 1.606 20 5 CDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872784686 688389289 /nfs/dbraw/zinc/38/92/89/688389289.db2.gz PTPNIRFPBGFSOL-TXEJJXNPSA-N 1 1 288.307 1.480 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000885944662 688784702 /nfs/dbraw/zinc/78/47/02/688784702.db2.gz UHZRISGQQHDZDH-JTQLQIEISA-N 1 1 251.286 1.194 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000885944662 688784708 /nfs/dbraw/zinc/78/47/08/688784708.db2.gz UHZRISGQQHDZDH-JTQLQIEISA-N 1 1 251.286 1.194 20 5 CDBDMO CC[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843220952 688883884 /nfs/dbraw/zinc/88/38/84/688883884.db2.gz BAOHNSUQJCJMJS-LURJTMIESA-N 1 1 266.261 1.097 20 5 CDBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178515 694397545 /nfs/dbraw/zinc/39/75/45/694397545.db2.gz UPPGYEPTQZJGFG-GHMZBOCLSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000931178515 694397546 /nfs/dbraw/zinc/39/75/46/694397546.db2.gz UPPGYEPTQZJGFG-GHMZBOCLSA-N 1 1 272.345 1.563 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000885985291 692255747 /nfs/dbraw/zinc/25/57/47/692255747.db2.gz DJEBIJIFRDMQCW-LBPRGKRZSA-N 1 1 265.313 1.727 20 5 CDBDMO CCC[N@H+](C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812813788 692323657 /nfs/dbraw/zinc/32/36/57/692323657.db2.gz NGYVYJUAMOSDJT-UHFFFAOYSA-N 1 1 270.333 1.899 20 5 CDBDMO CCC[N@@H+](C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812813788 692323660 /nfs/dbraw/zinc/32/36/60/692323660.db2.gz NGYVYJUAMOSDJT-UHFFFAOYSA-N 1 1 270.333 1.899 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842496 692338034 /nfs/dbraw/zinc/33/80/34/692338034.db2.gz MZNMVKKUNXVNKM-VIFPVBQESA-N 1 1 283.288 1.574 20 5 CDBDMO C[NH2+][C@@H](C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000848622111 692639579 /nfs/dbraw/zinc/63/95/79/692639579.db2.gz RPLVYVOESWBGSY-VIFPVBQESA-N 1 1 291.311 1.913 20 5 CDBDMO C[N@@H+]1CC=C(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000775698700 692647597 /nfs/dbraw/zinc/64/75/97/692647597.db2.gz QXSNCIOGMWENAT-UHFFFAOYSA-N 1 1 287.323 1.916 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932650256 692788730 /nfs/dbraw/zinc/78/87/30/692788730.db2.gz WGDQIBJEPLBCRL-LLVKDONJSA-N 1 1 279.296 1.375 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000932650256 692788734 /nfs/dbraw/zinc/78/87/34/692788734.db2.gz WGDQIBJEPLBCRL-LLVKDONJSA-N 1 1 279.296 1.375 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1F ZINC000719109261 692816672 /nfs/dbraw/zinc/81/66/72/692816672.db2.gz NYRZQFNUNZNQFY-NSHDSACASA-N 1 1 296.298 1.929 20 5 CDBDMO COC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239515 692889297 /nfs/dbraw/zinc/88/92/97/692889297.db2.gz YVODIDODXFRFPG-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239515 692889300 /nfs/dbraw/zinc/88/93/00/692889300.db2.gz YVODIDODXFRFPG-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000702594035 693025481 /nfs/dbraw/zinc/02/54/81/693025481.db2.gz SCDACHMTLQMBTJ-ZDUSSCGKSA-N 1 1 299.758 1.404 20 5 CDBDMO C[C@H](COC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N+](=O)[O-] ZINC000835455816 693167789 /nfs/dbraw/zinc/16/77/89/693167789.db2.gz PGGQOBPHZWDHCP-SECBINFHSA-N 1 1 276.252 1.089 20 5 CDBDMO O=[N+]([O-])c1ccc(CN2CCn3cc[nH+]c32)c(F)c1 ZINC000931525104 693195787 /nfs/dbraw/zinc/19/57/87/693195787.db2.gz FEKKLQIYGQYXEL-UHFFFAOYSA-N 1 1 262.244 1.951 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886568392 693326838 /nfs/dbraw/zinc/32/68/38/693326838.db2.gz IVGNNTJGOIBTTJ-SCRDCRAPSA-N 1 1 294.376 1.923 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000776596518 693363777 /nfs/dbraw/zinc/36/37/77/693363777.db2.gz GHRNTYQIKPFWBW-LSDHHAIUSA-N 1 1 292.335 1.739 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000776596518 693363783 /nfs/dbraw/zinc/36/37/83/693363783.db2.gz GHRNTYQIKPFWBW-LSDHHAIUSA-N 1 1 292.335 1.739 20 5 CDBDMO C[N@H+](CCOc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000791053148 694810986 /nfs/dbraw/zinc/81/09/86/694810986.db2.gz IMHOKISRFVARPS-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC[N+](=O)[O-] ZINC000791053148 694810988 /nfs/dbraw/zinc/81/09/88/694810988.db2.gz IMHOKISRFVARPS-UHFFFAOYSA-N 1 1 258.705 1.927 20 5 CDBDMO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817976609 694811728 /nfs/dbraw/zinc/81/17/28/694811728.db2.gz PCHXQFARKKKXBW-LSJOCFKGSA-N 1 1 282.319 1.528 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205268 694851951 /nfs/dbraw/zinc/85/19/51/694851951.db2.gz XCFZZDOPHNRUNA-KBPBESRZSA-N 1 1 280.324 1.739 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000886264331 694856825 /nfs/dbraw/zinc/85/68/25/694856825.db2.gz WXNNPATUZIVLON-PWSUYJOCSA-N 1 1 263.297 1.601 20 5 CDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)OCC[NH+]1CCC1 ZINC000861385536 695168574 /nfs/dbraw/zinc/16/85/74/695168574.db2.gz VPHJWQCXTNGIQQ-UHFFFAOYSA-N 1 1 296.348 1.936 20 5 CDBDMO Cc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001753049238 1185018544 /nfs/dbraw/zinc/01/85/44/1185018544.db2.gz WEHYARAILOATOD-ZIAGYGMSSA-N 1 1 291.351 1.208 20 5 CDBDMO Cc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001753049238 1185018550 /nfs/dbraw/zinc/01/85/50/1185018550.db2.gz WEHYARAILOATOD-ZIAGYGMSSA-N 1 1 291.351 1.208 20 5 CDBDMO Cc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001753049238 1185018558 /nfs/dbraw/zinc/01/85/58/1185018558.db2.gz WEHYARAILOATOD-ZIAGYGMSSA-N 1 1 291.351 1.208 20 5 CDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C1CC1 ZINC001031509323 723089709 /nfs/dbraw/zinc/08/97/09/723089709.db2.gz XPJHMSROVRMTEJ-UHFFFAOYSA-N 1 1 289.335 1.553 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000886004184 723323729 /nfs/dbraw/zinc/32/37/29/723323729.db2.gz UWUYMOLAWQANLF-NSHDSACASA-N 1 1 265.313 1.848 20 5 CDBDMO O=C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000886340930 723668776 /nfs/dbraw/zinc/66/87/76/723668776.db2.gz NHGAYSMLVGESRK-TXEJJXNPSA-N 1 1 287.319 1.436 20 5 CDBDMO O=C(C[N@H+]1C[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000886340930 723668778 /nfs/dbraw/zinc/66/87/78/723668778.db2.gz NHGAYSMLVGESRK-TXEJJXNPSA-N 1 1 287.319 1.436 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](C)CC1 ZINC000873748652 723449519 /nfs/dbraw/zinc/44/95/19/723449519.db2.gz AJLBUSDVRYUAEO-UHFFFAOYSA-N 1 1 291.351 1.989 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000817277303 723674235 /nfs/dbraw/zinc/67/42/35/723674235.db2.gz HKNSPBQKAWUCNX-TYNCELHUSA-N 1 1 294.351 1.579 20 5 CDBDMO CSC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000131006983 1166485522 /nfs/dbraw/zinc/48/55/22/1166485522.db2.gz VPVPETKXGPDROP-VIFPVBQESA-N 1 1 256.331 1.576 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000131006983 1166485524 /nfs/dbraw/zinc/48/55/24/1166485524.db2.gz VPVPETKXGPDROP-VIFPVBQESA-N 1 1 256.331 1.576 20 5 CDBDMO CC(C)[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000050103709 896881993 /nfs/dbraw/zinc/88/19/93/896881993.db2.gz ZJADWMMVPOGKJW-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO COc1ccnc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC001167832334 901178245 /nfs/dbraw/zinc/17/82/45/901178245.db2.gz FUQCSYCLCNBLGN-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000712556873 909583854 /nfs/dbraw/zinc/58/38/54/909583854.db2.gz LCMKOIKIXZKHKM-JTQLQIEISA-N 1 1 273.296 1.654 20 5 CDBDMO O=C(NCC[NH2+]Cc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126936684 909938852 /nfs/dbraw/zinc/93/88/52/909938852.db2.gz QKXHDDYIHHCZJV-ZYHUDNBSSA-N 1 1 297.742 1.211 20 5 CDBDMO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968418 927591511 /nfs/dbraw/zinc/59/15/11/927591511.db2.gz YXXCSYNFGMSULR-TUAOUCFPSA-N 1 1 272.345 1.609 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cnccc3C2)C1 ZINC001169008684 927614219 /nfs/dbraw/zinc/61/42/19/927614219.db2.gz TVYNVJXTWSAHLL-RISCZKNCSA-N 1 1 261.325 1.885 20 5 CDBDMO C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1CO ZINC001169011411 927616311 /nfs/dbraw/zinc/61/63/11/927616311.db2.gz KEHIELMOPGUKND-YVECIDJPSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011927 927617748 /nfs/dbraw/zinc/61/77/48/927617748.db2.gz NREBKQGYNFANLJ-ZDCRXTMVSA-N 1 1 296.289 1.534 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@](O)(CF)C2)C1 ZINC001169013770 927620595 /nfs/dbraw/zinc/62/05/95/927620595.db2.gz WHXHBPDTYRUUSO-JHJVBQTASA-N 1 1 274.336 1.618 20 5 CDBDMO CCC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168989404 927626614 /nfs/dbraw/zinc/62/66/14/927626614.db2.gz WKYSQDOHLLPRJD-VWYCJHECSA-N 1 1 258.318 1.363 20 5 CDBDMO Cc1ncc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001169036525 927645075 /nfs/dbraw/zinc/64/50/75/927645075.db2.gz GJRWISAVBQKPCP-AAEUAGOBSA-N 1 1 264.329 1.662 20 5 CDBDMO Cn1cnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039227 927649562 /nfs/dbraw/zinc/64/95/62/927649562.db2.gz OGPXDPPJDGSAQD-WDEREUQCSA-N 1 1 264.329 1.224 20 5 CDBDMO COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169038316 927650396 /nfs/dbraw/zinc/65/03/96/927650396.db2.gz YAGNFTJTOOZEMA-WUHRBBMRSA-N 1 1 284.356 1.563 20 5 CDBDMO O=c1[nH]ccc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047432 927666318 /nfs/dbraw/zinc/66/63/18/927666318.db2.gz QYNWVVXVAMLBKS-PWSUYJOCSA-N 1 1 277.324 1.591 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047037 927666713 /nfs/dbraw/zinc/66/67/13/927666713.db2.gz QEPUSMLXMARTKI-GHMZBOCLSA-N 1 1 258.318 1.317 20 5 CDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169055320 927672657 /nfs/dbraw/zinc/67/26/57/927672657.db2.gz PLIIIHOWGQFOJV-UPJWGTAASA-N 1 1 298.387 1.167 20 5 CDBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169057697 927676135 /nfs/dbraw/zinc/67/61/35/927676135.db2.gz XBBSSQIAIGRJFE-QCNOEVLYSA-N 1 1 270.329 1.173 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001156646524 928874228 /nfs/dbraw/zinc/87/42/28/928874228.db2.gz GYPNSEYYDKLDQQ-LBPRGKRZSA-N 1 1 258.281 1.899 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000886212589 930827459 /nfs/dbraw/zinc/82/74/59/930827459.db2.gz ARRGYYRNPCMTDI-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000886212589 930827470 /nfs/dbraw/zinc/82/74/70/930827470.db2.gz ARRGYYRNPCMTDI-GFCCVEGCSA-N 1 1 273.296 1.633 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286768163 931718538 /nfs/dbraw/zinc/71/85/38/931718538.db2.gz ZRECNWJQOWXKAV-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000929830412 933273883 /nfs/dbraw/zinc/27/38/83/933273883.db2.gz FHNCAFHCJQTEOK-MNOVXSKESA-N 1 1 254.286 1.444 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000929830412 933273887 /nfs/dbraw/zinc/27/38/87/933273887.db2.gz FHNCAFHCJQTEOK-MNOVXSKESA-N 1 1 254.286 1.444 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627327 934895865 /nfs/dbraw/zinc/89/58/65/934895865.db2.gz OGSQUYLYUWHULS-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](N)CCC[NH3+] ZINC001159785602 938752442 /nfs/dbraw/zinc/75/24/42/938752442.db2.gz QQJLISOUCJXOMP-SNVBAGLBSA-N 1 1 253.306 1.042 20 5 CDBDMO COc1nc(NCC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001160966478 938852018 /nfs/dbraw/zinc/85/20/18/938852018.db2.gz KGWGJBXJNIKGFD-SECBINFHSA-N 1 1 281.316 1.290 20 5 CDBDMO CCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229399 939839637 /nfs/dbraw/zinc/83/96/37/939839637.db2.gz AXUJJTLFASUTEH-ZIAGYGMSSA-N 1 1 297.399 1.670 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2C)n1 ZINC000312510533 941351166 /nfs/dbraw/zinc/35/11/66/941351166.db2.gz ZNCSAAUQZSDEBV-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOCc2cccc([N+](=O)[O-])c2)C1 ZINC001222771519 941633008 /nfs/dbraw/zinc/63/30/08/941633008.db2.gz YXXWDVISNGQORA-CQSZACIVSA-N 1 1 280.324 1.832 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@@H+](C)C1 ZINC001223450237 941678550 /nfs/dbraw/zinc/67/85/50/941678550.db2.gz NGYKYSUETPJKMP-LBPRGKRZSA-N 1 1 294.307 1.602 20 5 CDBDMO C[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094861 941719403 /nfs/dbraw/zinc/71/94/03/941719403.db2.gz GKNISBGKICVEEY-NSHDSACASA-N 1 1 281.268 1.724 20 5 CDBDMO C[NH+](C)[C@H]1CC[C@H](Oc2nccc(O)c2[N+](=O)[O-])CC1 ZINC001225667972 941897515 /nfs/dbraw/zinc/89/75/15/941897515.db2.gz XKBFRKFYZRGKIG-MGCOHNPYSA-N 1 1 281.312 1.947 20 5 CDBDMO COC(=O)Cc1ccc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226215013 941968391 /nfs/dbraw/zinc/96/83/91/941968391.db2.gz TWLUMIAYEBOHFZ-LLVKDONJSA-N 1 1 294.307 1.393 20 5 CDBDMO CCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001230969784 942745427 /nfs/dbraw/zinc/74/54/27/942745427.db2.gz SUKFAGSMWKVJKV-UHFFFAOYSA-N 1 1 279.340 1.943 20 5 CDBDMO Cc1nnc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001254584775 947539658 /nfs/dbraw/zinc/53/96/58/947539658.db2.gz AASQFENHWNBNRO-NSHDSACASA-N 1 1 274.280 1.543 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599280 947548953 /nfs/dbraw/zinc/54/89/53/947548953.db2.gz NCJDCVLJGNEGQG-FZQKWOKYSA-N 1 1 262.309 1.517 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(N3CC(F)C3)C1)C2 ZINC001254600153 947549277 /nfs/dbraw/zinc/54/92/77/947549277.db2.gz QENJTTPJABITLW-AWEZNQCLSA-N 1 1 291.326 1.400 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601242 947550494 /nfs/dbraw/zinc/55/04/94/947550494.db2.gz WNYYDXZJZLUHIL-CABCVRRESA-N 1 1 275.352 1.698 20 5 CDBDMO CN([C@@H]1CC[N@H+](C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601242 947550501 /nfs/dbraw/zinc/55/05/01/947550501.db2.gz WNYYDXZJZLUHIL-CABCVRRESA-N 1 1 275.352 1.698 20 5 CDBDMO CN([C@@H]1CC[N@@H+](C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601242 947550510 /nfs/dbraw/zinc/55/05/10/947550510.db2.gz WNYYDXZJZLUHIL-CABCVRRESA-N 1 1 275.352 1.698 20 5 CDBDMO Cn1cnc2c1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609407 947556033 /nfs/dbraw/zinc/55/60/33/947556033.db2.gz WFUXYOXPYAXTAJ-AWEZNQCLSA-N 1 1 298.346 1.854 20 5 CDBDMO Cn1cnc2c1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254609407 947556037 /nfs/dbraw/zinc/55/60/37/947556037.db2.gz WFUXYOXPYAXTAJ-AWEZNQCLSA-N 1 1 298.346 1.854 20 5 CDBDMO C[C@@H](C(=O)NOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC001328309313 955260460 /nfs/dbraw/zinc/26/04/60/955260460.db2.gz LANBWRPUICMTCR-SECBINFHSA-N 1 1 299.302 1.447 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nn(C)cc1[N+](=O)[O-] ZINC001307135596 956368678 /nfs/dbraw/zinc/36/86/78/956368678.db2.gz ZMVHVFFBMGFHIY-JTQLQIEISA-N 1 1 269.349 1.861 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001515768688 969916226 /nfs/dbraw/zinc/91/62/26/969916226.db2.gz OJSBZOPUCJWMTD-CYBMUJFWSA-N 1 1 277.328 1.104 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294951559 199266917 /nfs/dbraw/zinc/26/69/17/199266917.db2.gz OCFUKYBJNJFMBI-UHFFFAOYSA-N 1 1 299.302 1.424 20 5 CDBDMO COc1cc(NCC[N@H+]2CC[C@@H](O)C2)c(F)cc1[N+](=O)[O-] ZINC000599175389 343976054 /nfs/dbraw/zinc/97/60/54/343976054.db2.gz ALHJJGJEPBNVQX-SECBINFHSA-N 1 1 299.302 1.221 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000601185200 342489262 /nfs/dbraw/zinc/48/92/62/342489262.db2.gz QZGAXWYGCCJDOM-BDAKNGLRSA-N 1 1 268.342 1.439 20 5 CDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000601136445 342476568 /nfs/dbraw/zinc/47/65/68/342476568.db2.gz DHTSRNJKZVYFBL-YMTOWFKASA-N 1 1 273.292 1.960 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601232540 342537745 /nfs/dbraw/zinc/53/77/45/342537745.db2.gz RULLKUIKGYNDBO-VHSXEESVSA-N 1 1 295.314 1.946 20 5 CDBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000533494767 282125593 /nfs/dbraw/zinc/12/55/93/282125593.db2.gz IKORATLTFQQMBN-UHFFFAOYSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000023619365 342138829 /nfs/dbraw/zinc/13/88/29/342138829.db2.gz VGSUQYRZSALPAD-PHIMTYICSA-N 1 1 297.359 1.240 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000057721689 342151975 /nfs/dbraw/zinc/15/19/75/342151975.db2.gz WZYNNOZNGIYYHQ-QMMMGPOBSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593107955 342768913 /nfs/dbraw/zinc/76/89/13/342768913.db2.gz RQSVTOXGEULDER-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000158549855 342290209 /nfs/dbraw/zinc/29/02/09/342290209.db2.gz SHZBSKLZWANCRD-DTWKUNHWSA-N 1 1 251.290 1.279 20 5 CDBDMO COC[C@]1(C)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595506595 343080036 /nfs/dbraw/zinc/08/00/36/343080036.db2.gz JGJODPUBCAXDIY-GFCCVEGCSA-N 1 1 269.301 1.750 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595506595 343080037 /nfs/dbraw/zinc/08/00/37/343080037.db2.gz JGJODPUBCAXDIY-GFCCVEGCSA-N 1 1 269.301 1.750 20 5 CDBDMO CS[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595512340 343082046 /nfs/dbraw/zinc/08/20/46/343082046.db2.gz XPKOYQSCWJOHFH-QMMMGPOBSA-N 1 1 257.315 1.829 20 5 CDBDMO CS[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595512340 343082048 /nfs/dbraw/zinc/08/20/48/343082048.db2.gz XPKOYQSCWJOHFH-QMMMGPOBSA-N 1 1 257.315 1.829 20 5 CDBDMO Cc1noc(C[NH+]2CCC([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000595557038 343096907 /nfs/dbraw/zinc/09/69/07/343096907.db2.gz DCRSPVIKIHHRLT-VIFPVBQESA-N 1 1 283.328 1.732 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600964440 342351094 /nfs/dbraw/zinc/35/10/94/342351094.db2.gz ABICACSHYREPRL-SNVBAGLBSA-N 1 1 295.314 1.948 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000596176931 343261277 /nfs/dbraw/zinc/26/12/77/343261277.db2.gz LBFUPMXVDNGUFR-ZJUUUORDSA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000596619948 343357701 /nfs/dbraw/zinc/35/77/01/343357701.db2.gz LPURDMYHLSQRPO-UHFFFAOYSA-N 1 1 263.297 1.936 20 5 CDBDMO CNC[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596654660 343372385 /nfs/dbraw/zinc/37/23/85/343372385.db2.gz LHSUXDJNTNNSMF-SDDRHHMPSA-N 1 1 281.360 1.473 20 5 CDBDMO COc1ccc(C[NH2+]C2(C)COC2)cc1[N+](=O)[O-] ZINC000602739342 344557471 /nfs/dbraw/zinc/55/74/71/344557471.db2.gz MWSGGFYACLVPRC-UHFFFAOYSA-N 1 1 252.270 1.482 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000602782730 344597799 /nfs/dbraw/zinc/59/77/99/344597799.db2.gz WHKOLDUVHCGNSC-VHSXEESVSA-N 1 1 252.318 1.830 20 5 CDBDMO CO[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602774398 344577514 /nfs/dbraw/zinc/57/75/14/344577514.db2.gz YRQGUNOXNLDYDR-NSHDSACASA-N 1 1 268.317 1.211 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC(C)(C)C1 ZINC000602758449 344582240 /nfs/dbraw/zinc/58/22/40/344582240.db2.gz ZZHIVTRUNMDQJH-UHFFFAOYSA-N 1 1 268.317 1.211 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC(C)(C)C1 ZINC000602758449 344582241 /nfs/dbraw/zinc/58/22/41/344582241.db2.gz ZZHIVTRUNMDQJH-UHFFFAOYSA-N 1 1 268.317 1.211 20 5 CDBDMO COCC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292456991 362474008 /nfs/dbraw/zinc/47/40/08/362474008.db2.gz YLWVJZSHFVOYRM-UHFFFAOYSA-N 1 1 283.328 1.113 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602908381 344644798 /nfs/dbraw/zinc/64/47/98/344644798.db2.gz OSSVOPCBUSVHFD-WCQYABFASA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000602908381 344644799 /nfs/dbraw/zinc/64/47/99/344644799.db2.gz OSSVOPCBUSVHFD-WCQYABFASA-N 1 1 284.287 1.052 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293163693 362533388 /nfs/dbraw/zinc/53/33/88/362533388.db2.gz OURBWEIDXGYDJX-CYBMUJFWSA-N 1 1 280.324 1.950 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000617454914 345544859 /nfs/dbraw/zinc/54/48/59/345544859.db2.gz NFBOEUOKSRIADV-YPMHNXCESA-N 1 1 276.340 1.910 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C(C)(C)CO ZINC000609894886 346037304 /nfs/dbraw/zinc/03/73/04/346037304.db2.gz JMYWYKBXJZXHTG-UHFFFAOYSA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@H+]1C1CC1 ZINC000610653926 346336485 /nfs/dbraw/zinc/33/64/85/346336485.db2.gz CABVMWLVEXPWCG-DTWKUNHWSA-N 1 1 278.312 1.278 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982010 362807401 /nfs/dbraw/zinc/80/74/01/362807401.db2.gz HARHDCHSWHMIFN-SNVBAGLBSA-N 1 1 278.312 1.137 20 5 CDBDMO O=C(C[NH+]1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027268961 348662406 /nfs/dbraw/zinc/66/24/06/348662406.db2.gz ZHIWLXBETBWTJO-UHFFFAOYSA-N 1 1 289.335 1.970 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000108338844 348910919 /nfs/dbraw/zinc/91/09/19/348910919.db2.gz XMVFUAFZCQNHCW-VIFPVBQESA-N 1 1 267.285 1.259 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000063583347 348926779 /nfs/dbraw/zinc/92/67/79/348926779.db2.gz CYNMWLXPHCTFME-UHFFFAOYSA-N 1 1 277.324 1.727 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+](C)C1CC1 ZINC000062010264 362967693 /nfs/dbraw/zinc/96/76/93/362967693.db2.gz VUAWNBKZXUMOQH-UHFFFAOYSA-N 1 1 250.302 1.804 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292345969 198253016 /nfs/dbraw/zinc/25/30/16/198253016.db2.gz XFZWFPRBLXEWOL-YPMHNXCESA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292371449 198263082 /nfs/dbraw/zinc/26/30/82/198263082.db2.gz YPDZOWJQLZAHQD-VXGBXAGGSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000292479193 198303851 /nfs/dbraw/zinc/30/38/51/198303851.db2.gz RZEMPZOHXUQNHL-AAEUAGOBSA-N 1 1 280.324 1.819 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157305576 188308718 /nfs/dbraw/zinc/30/87/18/188308718.db2.gz RNQRBSJJUFHTPO-SNVBAGLBSA-N 1 1 292.339 1.391 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000295233360 199414810 /nfs/dbraw/zinc/41/48/10/199414810.db2.gz OGASEIGBACHWGY-CQSZACIVSA-N 1 1 295.314 1.677 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173449380 188855431 /nfs/dbraw/zinc/85/54/31/188855431.db2.gz SVRKNOCGZUQJKQ-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cn1 ZINC000273553426 192200518 /nfs/dbraw/zinc/20/05/18/192200518.db2.gz AQXGEBYPRMPIJC-LLVKDONJSA-N 1 1 279.344 1.695 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000273591648 192219973 /nfs/dbraw/zinc/21/99/73/192219973.db2.gz HHTLSPWOHYSATH-MNOVXSKESA-N 1 1 279.344 1.917 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261900850 357339653 /nfs/dbraw/zinc/33/96/53/357339653.db2.gz WPMQAIPRZJOIJU-DTWKUNHWSA-N 1 1 295.343 1.080 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000365819089 357496156 /nfs/dbraw/zinc/49/61/56/357496156.db2.gz IJDHVBVWPSRBFR-AWEZNQCLSA-N 1 1 262.309 1.942 20 5 CDBDMO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000610187378 357489753 /nfs/dbraw/zinc/48/97/53/357489753.db2.gz AZKFWUQYHSZTRI-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190342886 358068163 /nfs/dbraw/zinc/06/81/63/358068163.db2.gz QIYFIGWYJIMCSQ-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000104571565 358960285 /nfs/dbraw/zinc/96/02/85/358960285.db2.gz DHBBENHDGHDGDT-UHFFFAOYSA-N 1 1 281.312 1.792 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1 ZINC000451697709 359071361 /nfs/dbraw/zinc/07/13/61/359071361.db2.gz RIPOPFDWQVFERS-FRRDWIJNSA-N 1 1 294.355 1.274 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467669 359063675 /nfs/dbraw/zinc/06/36/75/359063675.db2.gz RLJYCAQVQNHQHD-WPRPVWTQSA-N 1 1 295.364 1.869 20 5 CDBDMO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338377512 359125993 /nfs/dbraw/zinc/12/59/93/359125993.db2.gz NVEFHKHWABLQSK-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]cnc2[nH]ccc21 ZINC000339134731 359296625 /nfs/dbraw/zinc/29/66/25/359296625.db2.gz JSTXUVADDIHZQK-UHFFFAOYSA-N 1 1 299.290 1.909 20 5 CDBDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050067296 359568386 /nfs/dbraw/zinc/56/83/86/359568386.db2.gz VOQMABRJXBREOP-UHFFFAOYSA-N 1 1 296.323 1.988 20 5 CDBDMO Cc1nc(NCC[N@H+](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000297065876 200075930 /nfs/dbraw/zinc/07/59/30/200075930.db2.gz JEUWHRPCIYTLLR-UHFFFAOYSA-N 1 1 279.344 1.980 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176401883 188993951 /nfs/dbraw/zinc/99/39/51/188993951.db2.gz DOSAMFRXCLNPJD-JTQLQIEISA-N 1 1 294.355 1.637 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000362505859 359841961 /nfs/dbraw/zinc/84/19/61/359841961.db2.gz PFZKSYNYYKBNGN-GWCFXTLKSA-N 1 1 289.335 1.682 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000297741137 200272590 /nfs/dbraw/zinc/27/25/90/200272590.db2.gz JTJWOZRIIOGXIT-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000298282520 200383091 /nfs/dbraw/zinc/38/30/91/200383091.db2.gz GKMLJMOGRNAYQF-LLVKDONJSA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509255 201037035 /nfs/dbraw/zinc/03/70/35/201037035.db2.gz AVPVWFBOUPCEIW-PWSUYJOCSA-N 1 1 264.329 1.766 20 5 CDBDMO O=[N+]([O-])c1cccc2c1CCN2CCC[NH+]1CCOCC1 ZINC000183620196 189364105 /nfs/dbraw/zinc/36/41/05/189364105.db2.gz IDGPFEVKMWQAKB-UHFFFAOYSA-N 1 1 291.351 1.680 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000269711985 239000717 /nfs/dbraw/zinc/00/07/17/239000717.db2.gz PXZRGBIXEUMUCZ-CHWSQXEVSA-N 1 1 266.297 1.085 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)nc1 ZINC000302174340 201381751 /nfs/dbraw/zinc/38/17/51/201381751.db2.gz WHXUXYAVQMKSBM-SNVBAGLBSA-N 1 1 277.328 1.814 20 5 CDBDMO COc1cc(OCc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000573114487 365179385 /nfs/dbraw/zinc/17/93/85/365179385.db2.gz FDSIGMMUSCVWLA-UHFFFAOYSA-N 1 1 280.240 1.024 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCn2cncn2)C2CC2)c1 ZINC000269088416 366912023 /nfs/dbraw/zinc/91/20/23/366912023.db2.gz IVVWZEQCHYOXFB-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000386501090 367014046 /nfs/dbraw/zinc/01/40/46/367014046.db2.gz AQBIELVYHOXZRB-NSHDSACASA-N 1 1 296.323 1.437 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090516969 367470564 /nfs/dbraw/zinc/47/05/64/367470564.db2.gz DJBSRSKGUGHEDG-UHFFFAOYSA-N 1 1 251.286 1.241 20 5 CDBDMO CN1CCN(CCn2cc([N+](=O)[O-])cn2)c2ccc[nH+]c21 ZINC000272292718 367673816 /nfs/dbraw/zinc/67/38/16/367673816.db2.gz SIKDXCKXLYNHHX-UHFFFAOYSA-N 1 1 288.311 1.143 20 5 CDBDMO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000272588504 367778790 /nfs/dbraw/zinc/77/87/90/367778790.db2.gz RLSSCDJPKLWYTE-VIFPVBQESA-N 1 1 275.312 1.915 20 5 CDBDMO Cc1nnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000272588504 367778794 /nfs/dbraw/zinc/77/87/94/367778794.db2.gz RLSSCDJPKLWYTE-VIFPVBQESA-N 1 1 275.312 1.915 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000367839434 370990068 /nfs/dbraw/zinc/99/00/68/370990068.db2.gz AXMRAAKROGYRAY-JTQLQIEISA-N 1 1 287.323 1.904 20 5 CDBDMO C[C@H]1CCNC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422796567 245267086 /nfs/dbraw/zinc/26/70/86/245267086.db2.gz YNBWHKMBYPZLCF-WCQYABFASA-N 1 1 263.341 1.725 20 5 CDBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796642 204173263 /nfs/dbraw/zinc/17/32/63/204173263.db2.gz QYYLDDQTWKNVBA-NWDGAFQWSA-N 1 1 296.371 1.964 20 5 CDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796642 204173267 /nfs/dbraw/zinc/17/32/67/204173267.db2.gz QYYLDDQTWKNVBA-NWDGAFQWSA-N 1 1 296.371 1.964 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000420951065 374308089 /nfs/dbraw/zinc/30/80/89/374308089.db2.gz GWOPJZHJJVLEBW-LBPRGKRZSA-N 1 1 293.323 1.314 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000420951065 374308098 /nfs/dbraw/zinc/30/80/98/374308098.db2.gz GWOPJZHJJVLEBW-LBPRGKRZSA-N 1 1 293.323 1.314 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000421767835 374329643 /nfs/dbraw/zinc/32/96/43/374329643.db2.gz MFYDCUBFPGFJBZ-GFCCVEGCSA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000421767835 374329645 /nfs/dbraw/zinc/32/96/45/374329645.db2.gz MFYDCUBFPGFJBZ-GFCCVEGCSA-N 1 1 291.351 1.988 20 5 CDBDMO CC[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460992 374383563 /nfs/dbraw/zinc/38/35/63/374383563.db2.gz JDHVZQPWKXRQNZ-MNOVXSKESA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@H](N)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460992 374383572 /nfs/dbraw/zinc/38/35/72/374383572.db2.gz JDHVZQPWKXRQNZ-MNOVXSKESA-N 1 1 294.355 1.639 20 5 CDBDMO Nc1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184914 374542675 /nfs/dbraw/zinc/54/26/75/374542675.db2.gz CSMXNPHGDDHVBG-NEPJUHHUSA-N 1 1 292.339 1.452 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815515 374714268 /nfs/dbraw/zinc/71/42/68/374714268.db2.gz DYZANKBSDIIZIT-SNVBAGLBSA-N 1 1 294.359 1.330 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016707 374881433 /nfs/dbraw/zinc/88/14/33/374881433.db2.gz VGDNSOHMCMZGGF-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331016707 374881436 /nfs/dbraw/zinc/88/14/36/374881436.db2.gz VGDNSOHMCMZGGF-GHMZBOCLSA-N 1 1 268.317 1.291 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000331820739 374987627 /nfs/dbraw/zinc/98/76/27/374987627.db2.gz WJKYIHOGRXYLHN-JTQLQIEISA-N 1 1 276.296 1.692 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000331820739 374987634 /nfs/dbraw/zinc/98/76/34/374987634.db2.gz WJKYIHOGRXYLHN-JTQLQIEISA-N 1 1 276.296 1.692 20 5 CDBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282210474 375072018 /nfs/dbraw/zinc/07/20/18/375072018.db2.gz DHLFEOFATBCHDF-NSHDSACASA-N 1 1 293.323 1.314 20 5 CDBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282210474 375072022 /nfs/dbraw/zinc/07/20/22/375072022.db2.gz DHLFEOFATBCHDF-NSHDSACASA-N 1 1 293.323 1.314 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282216217 375074271 /nfs/dbraw/zinc/07/42/71/375074271.db2.gz DPXGUJHBUQXHSK-PELKAZGASA-N 1 1 297.742 1.862 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000282388053 375081565 /nfs/dbraw/zinc/08/15/65/375081565.db2.gz GNXCWIZRELRGCB-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471800040 375055548 /nfs/dbraw/zinc/05/55/48/375055548.db2.gz SUIMUROKEQAKFW-CMPLNLGQSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268641 375069199 /nfs/dbraw/zinc/06/91/99/375069199.db2.gz NKCPEVLMQRPOHR-OAHLLOKOSA-N 1 1 289.335 1.763 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000161729807 375165894 /nfs/dbraw/zinc/16/58/94/375165894.db2.gz BFHZSAOQOQYCJS-ONGXEEELSA-N 1 1 268.288 1.937 20 5 CDBDMO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299489226 375176213 /nfs/dbraw/zinc/17/62/13/375176213.db2.gz HVRUQFLSLVATDA-NSHDSACASA-N 1 1 293.323 1.314 20 5 CDBDMO CC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000299645792 375188896 /nfs/dbraw/zinc/18/88/96/375188896.db2.gz RCELRSIGMYUYQD-UHFFFAOYSA-N 1 1 283.353 1.824 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000299645792 375188902 /nfs/dbraw/zinc/18/89/02/375188902.db2.gz RCELRSIGMYUYQD-UHFFFAOYSA-N 1 1 283.353 1.824 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000351819710 375333796 /nfs/dbraw/zinc/33/37/96/375333796.db2.gz LLPRPBRENDENFF-PRHODGIISA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000351819710 375333801 /nfs/dbraw/zinc/33/38/01/375333801.db2.gz LLPRPBRENDENFF-PRHODGIISA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000294022477 375627952 /nfs/dbraw/zinc/62/79/52/375627952.db2.gz QRTUFSDZXXMLNR-TXEJJXNPSA-N 1 1 291.351 1.688 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCO)CC1 ZINC000353355669 375598566 /nfs/dbraw/zinc/59/85/66/375598566.db2.gz QUXMHBMGBSOUNS-UHFFFAOYSA-N 1 1 293.367 1.483 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048367 375674663 /nfs/dbraw/zinc/67/46/63/375674663.db2.gz ZSMKCSHJXXDZKD-STQMWFEESA-N 1 1 293.367 1.998 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000347353776 375812161 /nfs/dbraw/zinc/81/21/61/375812161.db2.gz HJRYCEMNVBFPRB-HJTPGIPUSA-N 1 1 289.335 1.805 20 5 CDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000355362245 375793127 /nfs/dbraw/zinc/79/31/27/375793127.db2.gz DVEHHXPJIJWMMC-UHFFFAOYSA-N 1 1 289.335 1.515 20 5 CDBDMO Cc1ccnc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265269397 190170751 /nfs/dbraw/zinc/17/07/51/190170751.db2.gz UQIZNOKOESFEJD-UHFFFAOYSA-N 1 1 293.371 1.348 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444675854 250164215 /nfs/dbraw/zinc/16/42/15/250164215.db2.gz SPIIWBNFYHAOHB-PRHODGIISA-N 1 1 276.296 1.284 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000444675854 250164218 /nfs/dbraw/zinc/16/42/18/250164218.db2.gz SPIIWBNFYHAOHB-PRHODGIISA-N 1 1 276.296 1.284 20 5 CDBDMO COCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000344074664 379137639 /nfs/dbraw/zinc/13/76/39/379137639.db2.gz QPOGCUPCTYISRU-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000344074664 379137647 /nfs/dbraw/zinc/13/76/47/379137647.db2.gz QPOGCUPCTYISRU-UHFFFAOYSA-N 1 1 298.339 1.698 20 5 CDBDMO CCCC[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174651290 379547766 /nfs/dbraw/zinc/54/77/66/379547766.db2.gz NASXKYHRTRWLJP-GFCCVEGCSA-N 1 1 270.333 1.274 20 5 CDBDMO CCOC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862659 379596473 /nfs/dbraw/zinc/59/64/73/379596473.db2.gz DOYMCMBDLLRTES-GFCCVEGCSA-N 1 1 282.344 1.540 20 5 CDBDMO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267047531 190299602 /nfs/dbraw/zinc/29/96/02/190299602.db2.gz PZQQGNIUHANDIL-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000267047531 190299603 /nfs/dbraw/zinc/29/96/03/190299603.db2.gz PZQQGNIUHANDIL-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267068550 190300861 /nfs/dbraw/zinc/30/08/61/190300861.db2.gz VFZOAZBWELRKMQ-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267068550 190300862 /nfs/dbraw/zinc/30/08/62/190300862.db2.gz VFZOAZBWELRKMQ-SECBINFHSA-N 1 1 284.287 1.975 20 5 CDBDMO CCCNC(=O)C[N@@H+](CCC)CCn1ccc([N+](=O)[O-])n1 ZINC000267110324 190304586 /nfs/dbraw/zinc/30/45/86/190304586.db2.gz XKLKMXVRVXWRNB-UHFFFAOYSA-N 1 1 297.359 1.030 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000267006351 190296597 /nfs/dbraw/zinc/29/65/97/190296597.db2.gz FWSZJLIFFHXCBE-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CO)CC3)nc2c1 ZINC000267591953 190340066 /nfs/dbraw/zinc/34/00/66/190340066.db2.gz JHSPDPNSFJPISL-UHFFFAOYSA-N 1 1 291.307 1.940 20 5 CDBDMO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000267857681 190359505 /nfs/dbraw/zinc/35/95/05/190359505.db2.gz XRMLXHJZUDCHQD-MFKMUULPSA-N 1 1 293.323 1.643 20 5 CDBDMO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000267857681 190359506 /nfs/dbraw/zinc/35/95/06/190359506.db2.gz XRMLXHJZUDCHQD-MFKMUULPSA-N 1 1 293.323 1.643 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206099 190386160 /nfs/dbraw/zinc/38/61/60/190386160.db2.gz JSBBNXVKPXSPGV-QMTHXVAHSA-N 1 1 289.335 1.807 20 5 CDBDMO COc1cc(C[NH2+]CCF)c([N+](=O)[O-])cc1OC ZINC000280613206 194902262 /nfs/dbraw/zinc/90/22/62/194902262.db2.gz DTJVNTFAUPUTNO-UHFFFAOYSA-N 1 1 258.249 1.671 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491643643 253094669 /nfs/dbraw/zinc/09/46/69/253094669.db2.gz OZQKXSFEBAIOIG-DGMVEKRQSA-N 1 1 289.335 1.676 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372925676 285096072 /nfs/dbraw/zinc/09/60/72/285096072.db2.gz HYLVYYOTAIPSSO-GFCCVEGCSA-N 1 1 295.314 1.645 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncccc1[N+](=O)[O-] ZINC000289072131 197227481 /nfs/dbraw/zinc/22/74/81/197227481.db2.gz NMIXEYUQQBWCPH-UHFFFAOYSA-N 1 1 295.387 1.310 20 5 CDBDMO CN(CCCN(C)c1ncccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289072131 197227483 /nfs/dbraw/zinc/22/74/83/197227483.db2.gz NMIXEYUQQBWCPH-UHFFFAOYSA-N 1 1 295.387 1.310 20 5 CDBDMO O=[N+]([O-])c1cccnc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489921430 285166930 /nfs/dbraw/zinc/16/69/30/285166930.db2.gz JREMOJAUKNQQSY-VIFPVBQESA-N 1 1 259.269 1.613 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1C ZINC000288458095 197083824 /nfs/dbraw/zinc/08/38/24/197083824.db2.gz UCGXWXWMOAEAFM-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947115 390580607 /nfs/dbraw/zinc/58/06/07/390580607.db2.gz BCKGQNKJXUPJHJ-JTQLQIEISA-N 1 1 265.317 1.304 20 5 CDBDMO CNC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544039 390630885 /nfs/dbraw/zinc/63/08/85/390630885.db2.gz DCDJQUWVDWZTOM-ZDUSSCGKSA-N 1 1 291.351 1.910 20 5 CDBDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862918 390654672 /nfs/dbraw/zinc/65/46/72/390654672.db2.gz YJNPBGIIRATGCP-NWDGAFQWSA-N 1 1 294.355 1.718 20 5 CDBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C12CCC2 ZINC000451862918 390654676 /nfs/dbraw/zinc/65/46/76/390654676.db2.gz YJNPBGIIRATGCP-NWDGAFQWSA-N 1 1 294.355 1.718 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C1CC1 ZINC000423312564 390825482 /nfs/dbraw/zinc/82/54/82/390825482.db2.gz DLLYWBDPEGEFOZ-ZWNOBZJWSA-N 1 1 263.341 1.853 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C1CC1 ZINC000423312564 390825487 /nfs/dbraw/zinc/82/54/87/390825487.db2.gz DLLYWBDPEGEFOZ-ZWNOBZJWSA-N 1 1 263.341 1.853 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523135 390956362 /nfs/dbraw/zinc/95/63/62/390956362.db2.gz ZMEXEXMKQZDPNA-ZJUUUORDSA-N 1 1 279.296 1.544 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223330 391830544 /nfs/dbraw/zinc/83/05/44/391830544.db2.gz GDQAGLHPYMQQQF-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000487060941 391868174 /nfs/dbraw/zinc/86/81/74/391868174.db2.gz QPHICNCMIDAXMF-GFCCVEGCSA-N 1 1 264.329 1.766 20 5 CDBDMO Cc1cccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000524720997 392919316 /nfs/dbraw/zinc/91/93/16/392919316.db2.gz WWQUTUMCSZCXJN-LLVKDONJSA-N 1 1 291.351 1.975 20 5 CDBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000421000143 392924381 /nfs/dbraw/zinc/92/43/81/392924381.db2.gz JWEIZJHAISOVGA-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CCC[C@@H]1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000421000143 392924384 /nfs/dbraw/zinc/92/43/84/392924384.db2.gz JWEIZJHAISOVGA-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CCC[C@@H]1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000421000143 392924387 /nfs/dbraw/zinc/92/43/87/392924387.db2.gz JWEIZJHAISOVGA-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000268967192 132094192 /nfs/dbraw/zinc/09/41/92/132094192.db2.gz KOBSEBZYTUCVAF-JTQLQIEISA-N 1 1 251.286 1.098 20 5 CDBDMO Cc1c(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423071983 392958059 /nfs/dbraw/zinc/95/80/59/392958059.db2.gz IKHVCCDZMZRKRA-FPMFFAJLSA-N 1 1 293.367 1.745 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000430240225 393095383 /nfs/dbraw/zinc/09/53/83/393095383.db2.gz LZOAXEOZFQCMFJ-CMPLNLGQSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C[N@H+]1C1CC1 ZINC000531005137 393057836 /nfs/dbraw/zinc/05/78/36/393057836.db2.gz DOKUCUZXAODXPM-ZJUUUORDSA-N 1 1 292.339 1.288 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278288492 393141119 /nfs/dbraw/zinc/14/11/19/393141119.db2.gz CLEVCZFGNMWFIO-PHIMTYICSA-N 1 1 262.313 1.296 20 5 CDBDMO CCN1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000391627082 393150308 /nfs/dbraw/zinc/15/03/08/393150308.db2.gz YGIWYUYNWXMESB-SNVBAGLBSA-N 1 1 281.287 1.444 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275462807 135107530 /nfs/dbraw/zinc/10/75/30/135107530.db2.gz ZAAPOOYVUNWFPV-RYUDHWBXSA-N 1 1 279.340 1.486 20 5 CDBDMO CNc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000231523052 140216008 /nfs/dbraw/zinc/21/60/08/140216008.db2.gz ANQHGOUWKXSDMK-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000231523052 140216009 /nfs/dbraw/zinc/21/60/09/140216009.db2.gz ANQHGOUWKXSDMK-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721391 147957678 /nfs/dbraw/zinc/95/76/78/147957678.db2.gz XBZXMWSTQASQBK-KWCYVHTRSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892358 148167587 /nfs/dbraw/zinc/16/75/87/148167587.db2.gz KKULBUPXKWHUPH-JTQLQIEISA-N 1 1 292.339 1.391 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149959 148286952 /nfs/dbraw/zinc/28/69/52/148286952.db2.gz ONAUQTIPOPPMHY-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149959 148286957 /nfs/dbraw/zinc/28/69/57/148286957.db2.gz ONAUQTIPOPPMHY-NXEZZACHSA-N 1 1 268.288 1.937 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)CC1CC1 ZINC000352492244 155225387 /nfs/dbraw/zinc/22/53/87/155225387.db2.gz XCQKKPPZQQLEKI-UHFFFAOYSA-N 1 1 280.324 1.808 20 5 CDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000354512425 156493283 /nfs/dbraw/zinc/49/32/83/156493283.db2.gz SPKYNTYSWFXRHN-GHMZBOCLSA-N 1 1 279.344 1.482 20 5 CDBDMO CC(C)[N@H+]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355547896 157111503 /nfs/dbraw/zinc/11/15/03/157111503.db2.gz SCEAGBCTAJOVBB-UHFFFAOYSA-N 1 1 281.360 1.244 20 5 CDBDMO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000358824539 158041792 /nfs/dbraw/zinc/04/17/92/158041792.db2.gz NGRLFQRQPVXIPC-SNVBAGLBSA-N 1 1 291.311 1.453 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000359589135 158299223 /nfs/dbraw/zinc/29/92/23/158299223.db2.gz ZHKFPXSLEYLXEB-AWEZNQCLSA-N 1 1 296.323 1.187 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359589135 158299225 /nfs/dbraw/zinc/29/92/25/158299225.db2.gz ZHKFPXSLEYLXEB-AWEZNQCLSA-N 1 1 296.323 1.187 20 5 CDBDMO C[C@@H]1COCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217116 160092713 /nfs/dbraw/zinc/09/27/13/160092713.db2.gz OBXCCIYKAIWTKX-LBPRGKRZSA-N 1 1 280.324 1.942 20 5 CDBDMO C[C@H]1COCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000374341980 160275887 /nfs/dbraw/zinc/27/58/87/160275887.db2.gz RIUKTULTZSOMNQ-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763419 196391073 /nfs/dbraw/zinc/39/10/73/196391073.db2.gz ZNWXIIDSJIDNKF-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000374352737 274897858 /nfs/dbraw/zinc/89/78/58/274897858.db2.gz QBWCJUJTZGNBJX-SNVBAGLBSA-N 1 1 273.296 1.717 20 5 CDBDMO CCC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298148220 276026411 /nfs/dbraw/zinc/02/64/11/276026411.db2.gz RGNSBQLJWHEMQR-GFCCVEGCSA-N 1 1 294.355 1.273 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020479036 277050390 /nfs/dbraw/zinc/05/03/90/277050390.db2.gz CKKFJSRJDJTZAJ-UHFFFAOYSA-N 1 1 263.297 1.373 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734097 277182080 /nfs/dbraw/zinc/18/20/80/277182080.db2.gz UKBHLFGGDMJXAS-AAEUAGOBSA-N 1 1 276.340 1.910 20 5 CDBDMO C[C@@H]([N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177249636 278303150 /nfs/dbraw/zinc/30/31/50/278303150.db2.gz FSCZQMWAPDRPET-SNVBAGLBSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356899637 279102864 /nfs/dbraw/zinc/10/28/64/279102864.db2.gz KPIRLEGYNYJLKZ-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356899637 279102865 /nfs/dbraw/zinc/10/28/65/279102865.db2.gz KPIRLEGYNYJLKZ-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](C)N ZINC000423462979 279382331 /nfs/dbraw/zinc/38/23/31/279382331.db2.gz KZINGYCMWCTYTC-VWYCJHECSA-N 1 1 251.330 1.851 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@H](C)[NH3+] ZINC000423462979 279382334 /nfs/dbraw/zinc/38/23/34/279382334.db2.gz KZINGYCMWCTYTC-VWYCJHECSA-N 1 1 251.330 1.851 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000193558455 280001012 /nfs/dbraw/zinc/00/10/12/280001012.db2.gz IZACVMWVAAOJAQ-SECBINFHSA-N 1 1 283.353 1.728 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC000222990435 280094766 /nfs/dbraw/zinc/09/47/66/280094766.db2.gz ANKUDFIEAFVSED-UHFFFAOYSA-N 1 1 282.369 1.759 20 5 CDBDMO Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000547762992 289805136 /nfs/dbraw/zinc/80/51/36/289805136.db2.gz WSSXKFKRKYXWET-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000577092082 317264368 /nfs/dbraw/zinc/26/43/68/317264368.db2.gz DYPBREKABPUKBV-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000577092082 317264369 /nfs/dbraw/zinc/26/43/69/317264369.db2.gz DYPBREKABPUKBV-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC ZINC000064569685 521150013 /nfs/dbraw/zinc/15/00/13/521150013.db2.gz IQKKDCOMYIUDLC-UHFFFAOYSA-N 1 1 296.323 1.859 20 5 CDBDMO C[NH+]1CCN(c2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CC1 ZINC000340892103 523928263 /nfs/dbraw/zinc/92/82/63/523928263.db2.gz HWYBGIMYMRTLPF-UHFFFAOYSA-N 1 1 293.352 1.798 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069137623 527401546 /nfs/dbraw/zinc/40/15/46/527401546.db2.gz CLDGKVGOKGENLD-NSHDSACASA-N 1 1 284.337 1.262 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338178452 527420100 /nfs/dbraw/zinc/42/01/00/527420100.db2.gz SKPKCOHUUPHJLL-UHFFFAOYSA-N 1 1 291.311 1.258 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872797 576439379 /nfs/dbraw/zinc/43/93/79/576439379.db2.gz FFKFEWPFVZDDQC-WXRRBKDZSA-N 1 1 266.297 1.083 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238027 576590674 /nfs/dbraw/zinc/59/06/74/576590674.db2.gz BFDYPZYKUIKBEN-NSHDSACASA-N 1 1 277.324 1.809 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000930609295 617468890 /nfs/dbraw/zinc/46/88/90/617468890.db2.gz DCXRHOGEXNGLOL-NSHDSACASA-N 1 1 258.705 1.582 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000930609295 617468893 /nfs/dbraw/zinc/46/88/93/617468893.db2.gz DCXRHOGEXNGLOL-NSHDSACASA-N 1 1 258.705 1.582 20 5 CDBDMO Cc1cccc(NCCNc2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC000892521195 617473046 /nfs/dbraw/zinc/47/30/46/617473046.db2.gz MIAJNICIEABBLB-UHFFFAOYSA-N 1 1 276.300 1.556 20 5 CDBDMO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589104 614817509 /nfs/dbraw/zinc/81/75/09/614817509.db2.gz GFEBZXSYRPDUDJ-XJFOESAGSA-N 1 1 295.383 1.232 20 5 CDBDMO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589104 614817510 /nfs/dbraw/zinc/81/75/10/614817510.db2.gz GFEBZXSYRPDUDJ-XJFOESAGSA-N 1 1 295.383 1.232 20 5 CDBDMO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589104 614817513 /nfs/dbraw/zinc/81/75/13/614817513.db2.gz GFEBZXSYRPDUDJ-XJFOESAGSA-N 1 1 295.383 1.232 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]2CO)c1 ZINC000934024794 617846743 /nfs/dbraw/zinc/84/67/43/617846743.db2.gz AHPKYNFJRYHPLD-LLVKDONJSA-N 1 1 252.270 1.040 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893710440 617913171 /nfs/dbraw/zinc/91/31/71/617913171.db2.gz GHAPKENWEJMJRD-GXSJLCMTSA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893710440 617913179 /nfs/dbraw/zinc/91/31/79/617913179.db2.gz GHAPKENWEJMJRD-GXSJLCMTSA-N 1 1 296.323 1.512 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000895328486 619567582 /nfs/dbraw/zinc/56/75/82/619567582.db2.gz GNBIGCOIPBLBQE-ZZEYUXRUSA-N 1 1 292.335 1.426 20 5 CDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895771613 619837424 /nfs/dbraw/zinc/83/74/24/619837424.db2.gz NRJQHGBQVFKYHB-VIFPVBQESA-N 1 1 294.311 1.283 20 5 CDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895771613 619837425 /nfs/dbraw/zinc/83/74/25/619837425.db2.gz NRJQHGBQVFKYHB-VIFPVBQESA-N 1 1 294.311 1.283 20 5 CDBDMO CC[C@H](C)NC(=O)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000899872369 622502415 /nfs/dbraw/zinc/50/24/15/622502415.db2.gz ZXGISXFBOFHIQZ-NSHDSACASA-N 1 1 279.340 1.581 20 5 CDBDMO O=[N+]([O-])CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000905102769 626621226 /nfs/dbraw/zinc/62/12/26/626621226.db2.gz GRBAIGIJZSOQPZ-UHFFFAOYSA-N 1 1 293.367 1.528 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1CCCc1ccccc1 ZINC000905156084 626639411 /nfs/dbraw/zinc/63/94/11/626639411.db2.gz QYTBBPTUAMXVEW-AWEZNQCLSA-N 1 1 291.351 1.086 20 5 CDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCCN1c1ccccc1Cl ZINC000905136621 626650431 /nfs/dbraw/zinc/65/04/31/626650431.db2.gz ZVURLBPRRSFZSI-NSHDSACASA-N 1 1 297.742 1.702 20 5 CDBDMO Cc1ccccc1[C@@H]([C@H](C)[NH2+]CC[N+](=O)[O-])N(C)C ZINC000905231395 626685940 /nfs/dbraw/zinc/68/59/40/626685940.db2.gz SSBDMGWTXXAWFN-GXTWGEPZSA-N 1 1 265.357 1.853 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(=O)n1CC[C@H]1CCCC[N@@H+]1C ZINC000906504345 627308834 /nfs/dbraw/zinc/30/88/34/627308834.db2.gz XOODINPTDVJLIU-GFCCVEGCSA-N 1 1 279.340 1.939 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000879964969 695299128 /nfs/dbraw/zinc/29/91/28/695299128.db2.gz UTNWGJYCBAFPBN-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000879964969 695299132 /nfs/dbraw/zinc/29/91/32/695299132.db2.gz UTNWGJYCBAFPBN-SNVBAGLBSA-N 1 1 283.328 1.874 20 5 CDBDMO Cn1cncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000352473268 695319164 /nfs/dbraw/zinc/31/91/64/695319164.db2.gz RMFHMMQCIZGZEA-UHFFFAOYSA-N 1 1 264.260 1.757 20 5 CDBDMO Cc1nnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819217526 695387787 /nfs/dbraw/zinc/38/77/87/695387787.db2.gz CIEWCGYWCWTAJG-LLVKDONJSA-N 1 1 294.336 1.578 20 5 CDBDMO CN(C(=O)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC000930304549 695408510 /nfs/dbraw/zinc/40/85/10/695408510.db2.gz KABVRTBYSZLZHS-LBPRGKRZSA-N 1 1 277.324 1.248 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000886268863 695430361 /nfs/dbraw/zinc/43/03/61/695430361.db2.gz DFXNHGASODFVJG-LBPRGKRZSA-N 1 1 265.313 1.727 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000839705392 695457807 /nfs/dbraw/zinc/45/78/07/695457807.db2.gz IWVHJMSSYZTTLR-CHWSQXEVSA-N 1 1 281.356 1.129 20 5 CDBDMO COCCO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886157948 695663955 /nfs/dbraw/zinc/66/39/55/695663955.db2.gz OLPOXSKNXORHNP-LBPRGKRZSA-N 1 1 281.312 1.227 20 5 CDBDMO COCCO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886157948 695663956 /nfs/dbraw/zinc/66/39/56/695663956.db2.gz OLPOXSKNXORHNP-LBPRGKRZSA-N 1 1 281.312 1.227 20 5 CDBDMO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839536777 695695744 /nfs/dbraw/zinc/69/57/44/695695744.db2.gz QOAXFEVXQQVCKL-IGQOVBAYSA-N 1 1 297.399 1.526 20 5 CDBDMO O=[N+]([O-])c1c(N[C@@H]2CCn3cc[nH+]c3C2)nc2ccccn21 ZINC000777802285 695803937 /nfs/dbraw/zinc/80/39/37/695803937.db2.gz PHCRYKUIIDORTA-SNVBAGLBSA-N 1 1 298.306 1.866 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000930066326 695804328 /nfs/dbraw/zinc/80/43/28/695804328.db2.gz DSGIFSRXHDTYCP-ZIAGYGMSSA-N 1 1 282.315 1.990 20 5 CDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000842627513 695823782 /nfs/dbraw/zinc/82/37/82/695823782.db2.gz RSEPLANLMGDQLD-AWEZNQCLSA-N 1 1 290.323 1.588 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000842627513 695823783 /nfs/dbraw/zinc/82/37/83/695823783.db2.gz RSEPLANLMGDQLD-AWEZNQCLSA-N 1 1 290.323 1.588 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000861384622 695854325 /nfs/dbraw/zinc/85/43/25/695854325.db2.gz FJPNEULPWRDRER-UHFFFAOYSA-N 1 1 250.254 1.457 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1[N+](=O)[O-] ZINC000893907009 695890373 /nfs/dbraw/zinc/89/03/73/695890373.db2.gz GIGUXBPQZPTNKV-MWLCHTKSSA-N 1 1 296.323 1.512 20 5 CDBDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577789 695892514 /nfs/dbraw/zinc/89/25/14/695892514.db2.gz ZAWGGWDQVAFZCU-QMMMGPOBSA-N 1 1 261.285 1.751 20 5 CDBDMO C[NH2+]C[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000883450188 695913874 /nfs/dbraw/zinc/91/38/74/695913874.db2.gz FGVDVHJSQWJKRY-GFCCVEGCSA-N 1 1 279.340 1.874 20 5 CDBDMO Cc1nn(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000840087085 696168014 /nfs/dbraw/zinc/16/80/14/696168014.db2.gz PWRXHEBVAIDDRP-AWEZNQCLSA-N 1 1 293.371 1.475 20 5 CDBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000844451700 696183591 /nfs/dbraw/zinc/18/35/91/696183591.db2.gz GBOHNWHABWQZAZ-AOOOYVTPSA-N 1 1 297.261 1.391 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000844451700 696183592 /nfs/dbraw/zinc/18/35/92/696183592.db2.gz GBOHNWHABWQZAZ-AOOOYVTPSA-N 1 1 297.261 1.391 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000053297683 1166851534 /nfs/dbraw/zinc/85/15/34/1166851534.db2.gz MJXLUOTZMTZZLL-NSHDSACASA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1cn(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001592287412 1173847162 /nfs/dbraw/zinc/84/71/62/1173847162.db2.gz KVPJBPGFIJTCLY-UHFFFAOYSA-N 1 1 299.294 1.637 20 5 CDBDMO CC(C)(C)[C@@]1(C[NH3+])CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000866707030 724427952 /nfs/dbraw/zinc/42/79/52/724427952.db2.gz LFJOSKRKGNJUIR-CQSZACIVSA-N 1 1 295.387 1.488 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052038 723697988 /nfs/dbraw/zinc/69/79/88/723697988.db2.gz KGKBGNRTUGMSEK-KGLIPLIRSA-N 1 1 269.389 1.850 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100627 723693934 /nfs/dbraw/zinc/69/39/34/723693934.db2.gz SWWCAARCEKWXJZ-QWRGUYRKSA-N 1 1 264.329 1.514 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000886043682 723767849 /nfs/dbraw/zinc/76/78/49/723767849.db2.gz HVICBGOGRZHMJY-VXGBXAGGSA-N 1 1 295.364 1.696 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000886043682 723767850 /nfs/dbraw/zinc/76/78/50/723767850.db2.gz HVICBGOGRZHMJY-VXGBXAGGSA-N 1 1 295.364 1.696 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000839463671 723821473 /nfs/dbraw/zinc/82/14/73/723821473.db2.gz ZQUGCYZAXLYBOV-UPJWGTAASA-N 1 1 295.314 1.210 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]([NH3+])CC(C)C)n2)n1C ZINC000843222461 724091142 /nfs/dbraw/zinc/09/11/42/724091142.db2.gz RERCNQAHRSTXIS-QMMMGPOBSA-N 1 1 294.315 1.733 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877544884 724774412 /nfs/dbraw/zinc/77/44/12/724774412.db2.gz AEQSJZIEOWIMDO-WDNDVIMCSA-N 1 1 276.336 1.882 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000714028989 725220546 /nfs/dbraw/zinc/22/05/46/725220546.db2.gz INJALYPWZCIZGP-ZWNOBZJWSA-N 1 1 250.298 1.716 20 5 CDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870860053 724001124 /nfs/dbraw/zinc/00/11/24/724001124.db2.gz NPFKPPYVUGZYDH-QMTHXVAHSA-N 1 1 293.323 1.016 20 5 CDBDMO C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922644851 724055371 /nfs/dbraw/zinc/05/53/71/724055371.db2.gz DBUMYILOHZTTFF-GXFFZTMASA-N 1 1 292.339 1.659 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000886173431 724065731 /nfs/dbraw/zinc/06/57/31/724065731.db2.gz PBCPVGCXNMUBEC-UHFFFAOYSA-N 1 1 288.311 1.035 20 5 CDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000867943683 724087200 /nfs/dbraw/zinc/08/72/00/724087200.db2.gz CVFIWSGZUKXTBX-JSGCOSHPSA-N 1 1 293.323 1.016 20 5 CDBDMO Cc1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824874 724288903 /nfs/dbraw/zinc/28/89/03/724288903.db2.gz KRBCUDIMASFGPW-NEPJUHHUSA-N 1 1 292.339 1.573 20 5 CDBDMO CC(C)[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241255 725064288 /nfs/dbraw/zinc/06/42/88/725064288.db2.gz GRONEYIZHWKWJP-HUUCEWRRSA-N 1 1 294.351 1.985 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000778241255 725064292 /nfs/dbraw/zinc/06/42/92/725064292.db2.gz GRONEYIZHWKWJP-HUUCEWRRSA-N 1 1 294.351 1.985 20 5 CDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081219 725101685 /nfs/dbraw/zinc/10/16/85/725101685.db2.gz KDFXUSYWZHXIGM-GHMZBOCLSA-N 1 1 265.313 1.583 20 5 CDBDMO O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663051 725130486 /nfs/dbraw/zinc/13/04/86/725130486.db2.gz PSYGXBNNSFSVFZ-ZIAGYGMSSA-N 1 1 295.383 1.280 20 5 CDBDMO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000351383238 725133337 /nfs/dbraw/zinc/13/33/37/725133337.db2.gz KEBFTESQNIYOIZ-AWEZNQCLSA-N 1 1 299.330 1.781 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039583571 725215770 /nfs/dbraw/zinc/21/57/70/725215770.db2.gz RMDHEBMUIZTWNZ-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001039583571 725215773 /nfs/dbraw/zinc/21/57/73/725215773.db2.gz RMDHEBMUIZTWNZ-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039583571 725215775 /nfs/dbraw/zinc/21/57/75/725215775.db2.gz RMDHEBMUIZTWNZ-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928565315 725228103 /nfs/dbraw/zinc/22/81/03/725228103.db2.gz CENMYNMAJOACBA-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928565315 725228109 /nfs/dbraw/zinc/22/81/09/725228109.db2.gz CENMYNMAJOACBA-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000842615306 725290990 /nfs/dbraw/zinc/29/09/90/725290990.db2.gz LMQLQJWZPQLWGQ-AAEUAGOBSA-N 1 1 280.328 1.640 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000931662227 725354088 /nfs/dbraw/zinc/35/40/88/725354088.db2.gz DUXUIVSSNXLIAL-LLVKDONJSA-N 1 1 281.287 1.348 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839537691 725373561 /nfs/dbraw/zinc/37/35/61/725373561.db2.gz YRIUEOVEYGZSFJ-YNEHKIRRSA-N 1 1 283.372 1.280 20 5 CDBDMO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839537691 725373562 /nfs/dbraw/zinc/37/35/62/725373562.db2.gz YRIUEOVEYGZSFJ-YNEHKIRRSA-N 1 1 283.372 1.280 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839537691 725373563 /nfs/dbraw/zinc/37/35/63/725373563.db2.gz YRIUEOVEYGZSFJ-YNEHKIRRSA-N 1 1 283.372 1.280 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnnn1C ZINC000806659818 725374864 /nfs/dbraw/zinc/37/48/64/725374864.db2.gz GLOQUTRBHXGXRI-SNVBAGLBSA-N 1 1 275.312 1.883 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nccs2)c1 ZINC000818962490 725404712 /nfs/dbraw/zinc/40/47/12/725404712.db2.gz QPTGNOUZXOTIOT-NSHDSACASA-N 1 1 279.321 1.875 20 5 CDBDMO C[C@@H]1COCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590590 725409365 /nfs/dbraw/zinc/40/93/65/725409365.db2.gz IGQJEFKBCKQPAN-BXUZGUMPSA-N 1 1 280.324 1.739 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000860918083 725412934 /nfs/dbraw/zinc/41/29/34/725412934.db2.gz ZWFJZAILWARRID-CQSZACIVSA-N 1 1 292.335 1.861 20 5 CDBDMO O=C(OCCC[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000860918083 725412935 /nfs/dbraw/zinc/41/29/35/725412935.db2.gz ZWFJZAILWARRID-CQSZACIVSA-N 1 1 292.335 1.861 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000882479282 725502747 /nfs/dbraw/zinc/50/27/47/725502747.db2.gz RQWQFLXGJHFSCJ-JTQLQIEISA-N 1 1 263.297 1.419 20 5 CDBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930664653 725539731 /nfs/dbraw/zinc/53/97/31/725539731.db2.gz HZIJJITUFKRERT-WDEREUQCSA-N 1 1 285.344 1.204 20 5 CDBDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC[N+](=O)[O-])[C@@H]2C1 ZINC000930664653 725539740 /nfs/dbraw/zinc/53/97/40/725539740.db2.gz HZIJJITUFKRERT-WDEREUQCSA-N 1 1 285.344 1.204 20 5 CDBDMO COC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886011291 725615135 /nfs/dbraw/zinc/61/51/35/725615135.db2.gz XXBIPZWUEZWKNG-NSHDSACASA-N 1 1 265.313 1.848 20 5 CDBDMO [NH3+]CC[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000723678410 725670967 /nfs/dbraw/zinc/67/09/67/725670967.db2.gz OPSJEITXAIXSMY-SNVBAGLBSA-N 1 1 267.304 1.905 20 5 CDBDMO CNC(=O)C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCC1 ZINC000886066937 725690160 /nfs/dbraw/zinc/69/01/60/725690160.db2.gz FENOFVZXTLHBGR-UHFFFAOYSA-N 1 1 278.312 1.138 20 5 CDBDMO C[C@H]([NH2+]CCN1CCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000886747598 725969847 /nfs/dbraw/zinc/96/98/47/725969847.db2.gz ZEKPVVVDQDHPJA-VIFPVBQESA-N 1 1 296.302 1.410 20 5 CDBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886304315 725995387 /nfs/dbraw/zinc/99/53/87/725995387.db2.gz UGKSCUGQRVNHEF-HZMBPMFUSA-N 1 1 293.323 1.621 20 5 CDBDMO Cc1cnc(N2CCc3[nH+]ccn3CC2)c([N+](=O)[O-])c1 ZINC001167178349 894814342 /nfs/dbraw/zinc/81/43/42/894814342.db2.gz VMPBTEHDBIFQIS-UHFFFAOYSA-N 1 1 273.296 1.557 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001167270264 895006814 /nfs/dbraw/zinc/00/68/14/895006814.db2.gz QTDMCQQATCRRHY-QMMMGPOBSA-N 1 1 261.285 1.587 20 5 CDBDMO CC[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109074 909165396 /nfs/dbraw/zinc/16/53/96/909165396.db2.gz MXOOLHGPRQCJII-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000697869260 909410764 /nfs/dbraw/zinc/41/07/64/909410764.db2.gz BVVIVCJICRJQTI-UHFFFAOYSA-N 1 1 267.260 1.169 20 5 CDBDMO N[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899200 912039714 /nfs/dbraw/zinc/03/97/14/912039714.db2.gz MDFGHOARLAVYQG-KGLIPLIRSA-N 1 1 275.352 1.875 20 5 CDBDMO N[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899200 912039730 /nfs/dbraw/zinc/03/97/30/912039730.db2.gz MDFGHOARLAVYQG-KGLIPLIRSA-N 1 1 275.352 1.875 20 5 CDBDMO Cc1ccnc(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000070496017 936641886 /nfs/dbraw/zinc/64/18/86/936641886.db2.gz UFOUDFKYAOOYKR-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977173 927562544 /nfs/dbraw/zinc/56/25/44/927562544.db2.gz IQYNTOBZRSMBPV-RWMBFGLXSA-N 1 1 255.362 1.506 20 5 CDBDMO C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H](O)CC1 ZINC001169011269 927616299 /nfs/dbraw/zinc/61/62/99/927616299.db2.gz JBZIKYRYVTYJLY-FVCCEPFGSA-N 1 1 256.346 1.667 20 5 CDBDMO CC(C)[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033290 927642561 /nfs/dbraw/zinc/64/25/61/927642561.db2.gz BSDNSWHOFIBNET-AVGNSLFASA-N 1 1 256.346 1.789 20 5 CDBDMO CN1CC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038681 927649312 /nfs/dbraw/zinc/64/93/12/927649312.db2.gz KEDNAJTYQJDPRV-IHRRRGAJSA-N 1 1 267.373 1.459 20 5 CDBDMO CN1CC[C@]2(CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038681 927649320 /nfs/dbraw/zinc/64/93/20/927649320.db2.gz KEDNAJTYQJDPRV-IHRRRGAJSA-N 1 1 267.373 1.459 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019024 927660441 /nfs/dbraw/zinc/66/04/41/927660441.db2.gz GEGJZZQUFIUJCB-LSDHHAIUSA-N 1 1 293.411 1.850 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001169054267 927673384 /nfs/dbraw/zinc/67/33/84/927673384.db2.gz LKHSZSHRFHZMNS-RFQIPJPRSA-N 1 1 268.357 1.933 20 5 CDBDMO C[N@H+]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156591000 938390118 /nfs/dbraw/zinc/39/01/18/938390118.db2.gz QWRQCLKAJINBLW-VIFPVBQESA-N 1 1 283.353 1.726 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001156645846 938400194 /nfs/dbraw/zinc/40/01/94/938400194.db2.gz CIMXCZFETSRLJM-SECBINFHSA-N 1 1 252.274 1.062 20 5 CDBDMO CN(C)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689555 939119024 /nfs/dbraw/zinc/11/90/24/939119024.db2.gz IUFOJSKWKRRPCL-LBPRGKRZSA-N 1 1 294.355 1.403 20 5 CDBDMO CN(C)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162689555 939119026 /nfs/dbraw/zinc/11/90/26/939119026.db2.gz IUFOJSKWKRRPCL-LBPRGKRZSA-N 1 1 294.355 1.403 20 5 CDBDMO [NH3+][C@@H]1CN(c2nc(Cl)ncc2[N+](=O)[O-])CCC1(F)F ZINC001164316993 939453058 /nfs/dbraw/zinc/45/30/58/939453058.db2.gz LNXLJIWDVVJOCC-ZCFIWIBFSA-N 1 1 293.661 1.211 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)C[C@H]2C1 ZINC001165147851 939518597 /nfs/dbraw/zinc/51/85/97/939518597.db2.gz KGKJDXWBBWCWBC-PHIMTYICSA-N 1 1 299.334 1.536 20 5 CDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC001166550459 939612535 /nfs/dbraw/zinc/61/25/35/939612535.db2.gz RRFTUKSUSXXSNR-ZWNMCFTASA-N 1 1 292.339 1.341 20 5 CDBDMO C[C@H](C[NH+]1CCOCC1)OCc1ccc([N+](=O)[O-])cc1 ZINC001222789332 941634805 /nfs/dbraw/zinc/63/48/05/941634805.db2.gz KJNBODMQQLFVDK-GFCCVEGCSA-N 1 1 280.324 1.832 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CO[C@H]1CC[N@@H+](C)C1 ZINC001223942731 941708464 /nfs/dbraw/zinc/70/84/64/941708464.db2.gz CCQFQDXSAREDTK-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO C[C@H](C[NH+]1CCOCC1)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224331822 941743707 /nfs/dbraw/zinc/74/37/07/941743707.db2.gz SMKRXWYQJJUOTJ-CYBMUJFWSA-N 1 1 294.351 1.875 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227106138 942133627 /nfs/dbraw/zinc/13/36/27/942133627.db2.gz GBCZWLXHWRTHOO-JTQLQIEISA-N 1 1 296.283 1.760 20 5 CDBDMO Cc1nc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382864 942462469 /nfs/dbraw/zinc/46/24/69/942462469.db2.gz WZXPMMAFYJWFTD-VIFPVBQESA-N 1 1 282.300 1.260 20 5 CDBDMO Cc1nc(O[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382864 942462470 /nfs/dbraw/zinc/46/24/70/942462470.db2.gz WZXPMMAFYJWFTD-VIFPVBQESA-N 1 1 282.300 1.260 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc(C[NH3+])cc1=N ZINC001254536652 947516484 /nfs/dbraw/zinc/51/64/84/947516484.db2.gz RVYJZTFZHICAAD-JTQLQIEISA-N 1 1 287.323 1.533 20 5 CDBDMO CNC(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552577 947523161 /nfs/dbraw/zinc/52/31/61/947523161.db2.gz MZQDAQDOSBGCDO-JTQLQIEISA-N 1 1 265.313 1.204 20 5 CDBDMO CNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552577 947523168 /nfs/dbraw/zinc/52/31/68/947523168.db2.gz MZQDAQDOSBGCDO-JTQLQIEISA-N 1 1 265.313 1.204 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)C[C@H]1C ZINC001254553731 947525246 /nfs/dbraw/zinc/52/52/46/947525246.db2.gz XYDLWLXXZPCWPE-LOWVWBTDSA-N 1 1 264.325 1.981 20 5 CDBDMO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)CN ZINC001254580015 947538193 /nfs/dbraw/zinc/53/81/93/947538193.db2.gz YRIPSHVKJOOASW-ZDUSSCGKSA-N 1 1 263.341 1.731 20 5 CDBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)CN ZINC001254580015 947538202 /nfs/dbraw/zinc/53/82/02/947538202.db2.gz YRIPSHVKJOOASW-ZDUSSCGKSA-N 1 1 263.341 1.731 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593248 947544690 /nfs/dbraw/zinc/54/46/90/947544690.db2.gz KKOZJLYTCZOQRC-BXUZGUMPSA-N 1 1 290.319 1.557 20 5 CDBDMO CN(C)C(=O)C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601248 947551406 /nfs/dbraw/zinc/55/14/06/947551406.db2.gz WQJTZIMNAAPSBR-CYBMUJFWSA-N 1 1 277.324 1.082 20 5 CDBDMO CN(C)C(=O)C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601248 947551413 /nfs/dbraw/zinc/55/14/13/947551413.db2.gz WQJTZIMNAAPSBR-CYBMUJFWSA-N 1 1 277.324 1.082 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3nccn3CC1)C2 ZINC001254605504 947552445 /nfs/dbraw/zinc/55/24/45/947552445.db2.gz ANBVDEYWKRCQNR-OAHLLOKOSA-N 1 1 298.346 1.817 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCNC[C@H]1F)C2 ZINC001246088603 947939197 /nfs/dbraw/zinc/93/91/97/947939197.db2.gz VINVEBSBAAIBTI-BNOWGMLFSA-N 1 1 279.315 1.352 20 5 CDBDMO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCNC2)c([N+](=O)[O-])c1 ZINC001246130809 947975905 /nfs/dbraw/zinc/97/59/05/947975905.db2.gz VVQFIRUSHNOWQL-AAEUAGOBSA-N 1 1 293.367 1.876 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246613382 948346712 /nfs/dbraw/zinc/34/67/12/948346712.db2.gz YUPLQXTWMPYNLY-MGPQQGTHSA-N 1 1 267.373 1.650 20 5 CDBDMO CC(C)Oc1nc(NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001307207846 954807181 /nfs/dbraw/zinc/80/71/81/954807181.db2.gz CEGZOQUQDBWMGL-UHFFFAOYSA-N 1 1 298.343 1.113 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001306058219 956300610 /nfs/dbraw/zinc/30/06/10/956300610.db2.gz UZARWZZDNKXSNJ-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)n1 ZINC001308163074 956483063 /nfs/dbraw/zinc/48/30/63/956483063.db2.gz YQGZXCUTLVQQOL-STQMWFEESA-N 1 1 294.355 1.825 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001333671281 958495213 /nfs/dbraw/zinc/49/52/13/958495213.db2.gz PZERBRPBUCGLDU-QWRGUYRKSA-N 1 1 279.344 1.249 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC001322525321 960250887 /nfs/dbraw/zinc/25/08/87/960250887.db2.gz YNCGQCYJWJYCRX-LLVKDONJSA-N 1 1 294.355 1.100 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cccnc1N1CCCCC1 ZINC001338423961 961793687 /nfs/dbraw/zinc/79/36/87/961793687.db2.gz QPOKOQHLIRJXRI-UHFFFAOYSA-N 1 1 264.329 1.438 20 5 CDBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC[N+](=O)[O-] ZINC001351423969 966933678 /nfs/dbraw/zinc/93/36/78/966933678.db2.gz JBKIZLBARWMPFA-LLVKDONJSA-N 1 1 293.323 1.913 20 5 CDBDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC[N+](=O)[O-] ZINC001351423969 966933684 /nfs/dbraw/zinc/93/36/84/966933684.db2.gz JBKIZLBARWMPFA-LLVKDONJSA-N 1 1 293.323 1.913 20 5 CDBDMO CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200472129 968289147 /nfs/dbraw/zinc/28/91/47/968289147.db2.gz NFFGBXUFDSKJIT-ZIAGYGMSSA-N 1 1 297.399 1.668 20 5 CDBDMO CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC001158574896 1163236484 /nfs/dbraw/zinc/23/64/84/1163236484.db2.gz PJHCVERYCBJMIT-FUEXJSSKSA-N 1 1 292.339 1.747 20 5 CDBDMO CCN[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001577887076 1171758162 /nfs/dbraw/zinc/75/81/62/1171758162.db2.gz HGNUUBGJGQIOLD-LLVKDONJSA-N 1 1 251.330 1.725 20 5 CDBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000273976827 398136206 /nfs/dbraw/zinc/13/62/06/398136206.db2.gz PZYLEYFFJMPLTE-BDAKNGLRSA-N 1 1 263.301 1.422 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184157 342489173 /nfs/dbraw/zinc/48/91/73/342489173.db2.gz IHDPBIRZKUGSQC-ZJUUUORDSA-N 1 1 278.312 1.083 20 5 CDBDMO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609508079 342557949 /nfs/dbraw/zinc/55/79/49/342557949.db2.gz WPUHNVCWNOASDL-UHFFFAOYSA-N 1 1 285.369 1.549 20 5 CDBDMO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000590703664 342582542 /nfs/dbraw/zinc/58/25/42/342582542.db2.gz GUVNDNIZSMHZTQ-NSHDSACASA-N 1 1 276.340 1.910 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062201 342614856 /nfs/dbraw/zinc/61/48/56/342614856.db2.gz XJBLVFGHHGSXHB-OCCSQVGLSA-N 1 1 294.355 1.274 20 5 CDBDMO CCCC[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048047741 342154017 /nfs/dbraw/zinc/15/40/17/342154017.db2.gz ALSVENXICAIZEV-UHFFFAOYSA-N 1 1 279.340 1.991 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1C ZINC000048047741 342154018 /nfs/dbraw/zinc/15/40/18/342154018.db2.gz ALSVENXICAIZEV-UHFFFAOYSA-N 1 1 279.340 1.991 20 5 CDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000592459254 342694180 /nfs/dbraw/zinc/69/41/80/342694180.db2.gz LLQPVQWZKIYWKC-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO O=[N+]([O-])c1cccc(-n2cc(C[NH+]3CCCC3)nn2)c1 ZINC000594641154 342939758 /nfs/dbraw/zinc/93/97/58/342939758.db2.gz VNJJISQPKCENNS-UHFFFAOYSA-N 1 1 273.296 1.771 20 5 CDBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595310008 343032625 /nfs/dbraw/zinc/03/26/25/343032625.db2.gz CIHVSRKVEDBKKP-NXEZZACHSA-N 1 1 269.301 1.627 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1[N+](=O)[O-] ZINC000595310008 343032627 /nfs/dbraw/zinc/03/26/27/343032627.db2.gz CIHVSRKVEDBKKP-NXEZZACHSA-N 1 1 269.301 1.627 20 5 CDBDMO O=C1C[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1 ZINC000595351030 343046027 /nfs/dbraw/zinc/04/60/27/343046027.db2.gz DVZBZIYFCNPAHC-LBPRGKRZSA-N 1 1 289.335 1.695 20 5 CDBDMO Cc1noc(CN2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595407472 343050480 /nfs/dbraw/zinc/05/04/80/343050480.db2.gz AZTNYKBQQCAWJC-UHFFFAOYSA-N 1 1 294.355 1.951 20 5 CDBDMO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595447179 343053660 /nfs/dbraw/zinc/05/36/60/343053660.db2.gz GDNUNIZMGIFPLG-ONGXEEELSA-N 1 1 285.300 1.175 20 5 CDBDMO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000595428918 343058088 /nfs/dbraw/zinc/05/80/88/343058088.db2.gz AAYIDJQQLFGZQD-UWVGGRQHSA-N 1 1 269.301 1.938 20 5 CDBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995478 342332922 /nfs/dbraw/zinc/33/29/22/342332922.db2.gz AMUVPJHOCUNRRM-LLVKDONJSA-N 1 1 280.328 1.370 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000294980668 199282288 /nfs/dbraw/zinc/28/22/88/199282288.db2.gz PCXOMUPTHZAVPQ-LLVKDONJSA-N 1 1 280.328 1.249 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1=CCSC1 ZINC000595887528 343181354 /nfs/dbraw/zinc/18/13/54/343181354.db2.gz DPOGFGAOXIYADK-UHFFFAOYSA-N 1 1 268.342 1.396 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596049146 343218522 /nfs/dbraw/zinc/21/85/22/343218522.db2.gz FAMUKJTYOIRETR-SECBINFHSA-N 1 1 266.301 1.592 20 5 CDBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000294988876 199287220 /nfs/dbraw/zinc/28/72/20/199287220.db2.gz QBTGYAURDHATTJ-GFCCVEGCSA-N 1 1 279.340 1.854 20 5 CDBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596176118 343260868 /nfs/dbraw/zinc/26/08/68/343260868.db2.gz XMCGXQCOEQPHDB-ZDUSSCGKSA-N 1 1 299.334 1.593 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596248767 343273795 /nfs/dbraw/zinc/27/37/95/343273795.db2.gz YDPLMACYSDWIGO-SNVBAGLBSA-N 1 1 292.339 1.224 20 5 CDBDMO Cc1nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596428023 343312448 /nfs/dbraw/zinc/31/24/48/343312448.db2.gz GMPPKHUYMSHSQQ-WDEREUQCSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596428023 343312449 /nfs/dbraw/zinc/31/24/49/343312449.db2.gz GMPPKHUYMSHSQQ-WDEREUQCSA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000092763600 342418767 /nfs/dbraw/zinc/41/87/67/342418767.db2.gz FVXRYFOKWOTGEA-GFCCVEGCSA-N 1 1 250.298 1.717 20 5 CDBDMO NC(=O)C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000588976769 342446547 /nfs/dbraw/zinc/44/65/47/342446547.db2.gz VWPCNXAMBYOOLA-MRVPVSSYSA-N 1 1 299.277 1.570 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000588976769 342446548 /nfs/dbraw/zinc/44/65/48/342446548.db2.gz VWPCNXAMBYOOLA-MRVPVSSYSA-N 1 1 299.277 1.570 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290138793 362204288 /nfs/dbraw/zinc/20/42/88/362204288.db2.gz KETZBCMATYYIPE-UHFFFAOYSA-N 1 1 282.340 1.998 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597700551 343603382 /nfs/dbraw/zinc/60/33/82/343603382.db2.gz NJFHJCATRYCEBS-WPRPVWTQSA-N 1 1 295.343 1.045 20 5 CDBDMO C[C@H](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992020 343682171 /nfs/dbraw/zinc/68/21/71/343682171.db2.gz INFXKROSVVSZQB-SECBINFHSA-N 1 1 281.312 1.370 20 5 CDBDMO CN1CC[NH+](CC2CN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000599097250 343953807 /nfs/dbraw/zinc/95/38/07/343953807.db2.gz BZSZBUPTTVTUEG-UHFFFAOYSA-N 1 1 296.396 1.340 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599140333 343960006 /nfs/dbraw/zinc/96/00/06/343960006.db2.gz UVARKVANFLVGRT-LBPRGKRZSA-N 1 1 278.356 1.864 20 5 CDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295828933 362321726 /nfs/dbraw/zinc/32/17/26/362321726.db2.gz YLKXIBONAPOSJQ-UHFFFAOYSA-N 1 1 295.339 1.559 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000612108274 347023425 /nfs/dbraw/zinc/02/34/25/347023425.db2.gz VHAQYTPGSCOXRN-YNEHKIRRSA-N 1 1 292.335 1.819 20 5 CDBDMO Cc1noc(C[N@@H+](C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000599573104 344090559 /nfs/dbraw/zinc/09/05/59/344090559.db2.gz MQMKBBGNAWNEHX-UHFFFAOYSA-N 1 1 255.274 1.360 20 5 CDBDMO Cc1noc(C[N@H+](C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000599573104 344090562 /nfs/dbraw/zinc/09/05/62/344090562.db2.gz MQMKBBGNAWNEHX-UHFFFAOYSA-N 1 1 255.274 1.360 20 5 CDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599624123 344097803 /nfs/dbraw/zinc/09/78/03/344097803.db2.gz RHDVQRMWKBPUQS-SECBINFHSA-N 1 1 274.271 1.911 20 5 CDBDMO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000602102199 344335126 /nfs/dbraw/zinc/33/51/26/344335126.db2.gz GFBDQADPNUUPDP-SECBINFHSA-N 1 1 263.297 1.434 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCOC3)nc2c1 ZINC000602573017 344486645 /nfs/dbraw/zinc/48/66/45/344486645.db2.gz WILMBQFGNSXEST-MRVPVSSYSA-N 1 1 263.253 1.615 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)C1 ZINC000602771582 344576389 /nfs/dbraw/zinc/57/63/89/344576389.db2.gz FLQONYFDEXMJMR-SECBINFHSA-N 1 1 270.358 1.537 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000602786257 344599751 /nfs/dbraw/zinc/59/97/51/344599751.db2.gz FENFKYUXPZLIRF-ZDUSSCGKSA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000609493469 345049822 /nfs/dbraw/zinc/04/98/22/345049822.db2.gz YXBBEPYRVHCCMK-SNVBAGLBSA-N 1 1 263.297 1.793 20 5 CDBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344213906 362555652 /nfs/dbraw/zinc/55/56/52/362555652.db2.gz OLQQFOZVYXZLSI-WCQYABFASA-N 1 1 296.371 1.520 20 5 CDBDMO CC[C@]1(C)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344240983 362558139 /nfs/dbraw/zinc/55/81/39/362558139.db2.gz RMIFFORLEAJDCN-QWHCGFSZSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609548863 345650717 /nfs/dbraw/zinc/65/07/17/345650717.db2.gz DIQLGXPUTWZIEK-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1nc(N(C)CC[N@@H+](C)C2CC2)ncc1[N+](=O)[O-] ZINC000295120069 199354877 /nfs/dbraw/zinc/35/48/77/199354877.db2.gz WQIZYBJUYJKQIA-UHFFFAOYSA-N 1 1 265.317 1.224 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000610276479 346240022 /nfs/dbraw/zinc/24/00/22/346240022.db2.gz ZGDPEABPKFPENO-MNOVXSKESA-N 1 1 297.380 1.692 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000610506620 346297740 /nfs/dbraw/zinc/29/77/40/346297740.db2.gz GHOYUQOZPLAHSR-KGLIPLIRSA-N 1 1 289.335 1.490 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000610514200 346300804 /nfs/dbraw/zinc/30/08/04/346300804.db2.gz QGRPTOGKKKJGBD-LLVKDONJSA-N 1 1 297.380 1.957 20 5 CDBDMO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000610550437 346309470 /nfs/dbraw/zinc/30/94/70/346309470.db2.gz GFBDQADPNUUPDP-VIFPVBQESA-N 1 1 263.297 1.434 20 5 CDBDMO C[C@@H]1[C@H](C)N(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000611299256 346741680 /nfs/dbraw/zinc/74/16/80/346741680.db2.gz ZFSAFCAQQWIGLO-BDAKNGLRSA-N 1 1 295.368 1.833 20 5 CDBDMO C[N@@H+](CCCO)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411973 346779407 /nfs/dbraw/zinc/77/94/07/346779407.db2.gz LIPZDSSUQPDXPE-UHFFFAOYSA-N 1 1 299.396 1.939 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000067703561 347555374 /nfs/dbraw/zinc/55/53/74/347555374.db2.gz RATSPBZLKWWDBM-LLVKDONJSA-N 1 1 275.308 1.561 20 5 CDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000055668852 347849435 /nfs/dbraw/zinc/84/94/35/347849435.db2.gz DAIXWOWKWHKGFP-UHFFFAOYSA-N 1 1 289.335 1.763 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000022014222 348538930 /nfs/dbraw/zinc/53/89/30/348538930.db2.gz QXACSXRWAQDLDF-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000022014222 348538932 /nfs/dbraw/zinc/53/89/32/348538932.db2.gz QXACSXRWAQDLDF-ZDUSSCGKSA-N 1 1 277.324 1.647 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886279 348712610 /nfs/dbraw/zinc/71/26/10/348712610.db2.gz ZTVRYGXKPYONBG-CYBMUJFWSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091701585 180230407 /nfs/dbraw/zinc/23/04/07/180230407.db2.gz DHADJEHLVDHEDY-NSHDSACASA-N 1 1 275.312 1.879 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000292284723 198230919 /nfs/dbraw/zinc/23/09/19/198230919.db2.gz SZZOAGAVTNTZMR-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](C)C1 ZINC000153611664 188093095 /nfs/dbraw/zinc/09/30/95/188093095.db2.gz XNJZJCCJMXCZMW-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C)C1 ZINC000153611664 188093096 /nfs/dbraw/zinc/09/30/96/188093096.db2.gz XNJZJCCJMXCZMW-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO CN1CCC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000558740195 356043114 /nfs/dbraw/zinc/04/31/14/356043114.db2.gz BAGSVXHFNNQSHZ-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)n1 ZINC000246960814 356554763 /nfs/dbraw/zinc/55/47/63/356554763.db2.gz XLQADRPXJKQTQO-RYUDHWBXSA-N 1 1 280.328 1.292 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473032 363547711 /nfs/dbraw/zinc/54/77/11/363547711.db2.gz VWDZACVPIKUQHC-CYBMUJFWSA-N 1 1 282.344 1.682 20 5 CDBDMO Cc1c(C[N@@H+]2CCCN(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000102178178 358871468 /nfs/dbraw/zinc/87/14/68/358871468.db2.gz HACIXLVITIBFLC-UHFFFAOYSA-N 1 1 292.339 1.490 20 5 CDBDMO Cc1c(C[N@H+]2CCCN(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000102178178 358871473 /nfs/dbraw/zinc/87/14/73/358871473.db2.gz HACIXLVITIBFLC-UHFFFAOYSA-N 1 1 292.339 1.490 20 5 CDBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000104189545 358950355 /nfs/dbraw/zinc/95/03/55/358950355.db2.gz LUKLDAIVPDNMJU-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO CC1(C)C[C@H](O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804162 359082144 /nfs/dbraw/zinc/08/21/44/359082144.db2.gz RUIIUTJVZCYYQP-LLVKDONJSA-N 1 1 282.344 1.274 20 5 CDBDMO COc1ccc(C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000048335004 359200419 /nfs/dbraw/zinc/20/04/19/359200419.db2.gz SJQCLKUKDAWMLC-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO CC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201670 359318373 /nfs/dbraw/zinc/31/83/73/359318373.db2.gz NWIIOZHDZVTJGE-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO CC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000339201670 359318377 /nfs/dbraw/zinc/31/83/77/359318377.db2.gz NWIIOZHDZVTJGE-GFCCVEGCSA-N 1 1 266.297 1.560 20 5 CDBDMO COC1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355335984 359378743 /nfs/dbraw/zinc/37/87/43/359378743.db2.gz CREUYWUGSMZPJZ-UHFFFAOYSA-N 1 1 282.344 1.718 20 5 CDBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702957 359430592 /nfs/dbraw/zinc/43/05/92/359430592.db2.gz UWCZTBPRCIAZMF-AWEZNQCLSA-N 1 1 296.371 1.522 20 5 CDBDMO Cc1[nH+]ccn1CCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000347749782 359526445 /nfs/dbraw/zinc/52/64/45/359526445.db2.gz VZUWSUIWUAHVLX-UHFFFAOYSA-N 1 1 276.296 1.742 20 5 CDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]CC1(F)F ZINC000342750832 360059120 /nfs/dbraw/zinc/05/91/20/360059120.db2.gz MAMYVPBDJIOCRD-SNVBAGLBSA-N 1 1 299.277 1.456 20 5 CDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178772492 189144742 /nfs/dbraw/zinc/14/47/42/189144742.db2.gz JNFXBVMXASGKBA-SNVBAGLBSA-N 1 1 293.323 1.162 20 5 CDBDMO CC1(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544698400 360800041 /nfs/dbraw/zinc/80/00/41/360800041.db2.gz UUZNBXGJMBXLRA-GFCCVEGCSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000544759442 360880560 /nfs/dbraw/zinc/88/05/60/360880560.db2.gz DSWWGRCDXMMOEX-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000301421800 201003853 /nfs/dbraw/zinc/00/38/53/201003853.db2.gz FHPXNMJZCVJART-LLVKDONJSA-N 1 1 281.360 1.415 20 5 CDBDMO CCC[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182174514 189316192 /nfs/dbraw/zinc/31/61/92/189316192.db2.gz CWULIJMBTJYFLP-GFCCVEGCSA-N 1 1 298.339 1.039 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357114 189383889 /nfs/dbraw/zinc/38/38/89/189383889.db2.gz NBAKXRIWGYZMPS-UWVGGRQHSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357114 189383890 /nfs/dbraw/zinc/38/38/90/189383890.db2.gz NBAKXRIWGYZMPS-UWVGGRQHSA-N 1 1 298.314 1.945 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000273180017 239048583 /nfs/dbraw/zinc/04/85/83/239048583.db2.gz OCWSAFPFBDXPNQ-UHFFFAOYSA-N 1 1 299.334 1.855 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000545398178 364071627 /nfs/dbraw/zinc/07/16/27/364071627.db2.gz BDABOTMIAVZJEQ-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000270691713 366919927 /nfs/dbraw/zinc/91/99/27/366919927.db2.gz XVSAYKIJQYERIH-UHFFFAOYSA-N 1 1 262.269 1.270 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000271200890 366983720 /nfs/dbraw/zinc/98/37/20/366983720.db2.gz TZBMUMMOTHRNBQ-NSHDSACASA-N 1 1 296.323 1.833 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000271200890 366983730 /nfs/dbraw/zinc/98/37/30/366983730.db2.gz TZBMUMMOTHRNBQ-NSHDSACASA-N 1 1 296.323 1.833 20 5 CDBDMO CN1CCN(CCn2ccc([N+](=O)[O-])n2)c2ccc[nH+]c21 ZINC000272224365 367565919 /nfs/dbraw/zinc/56/59/19/367565919.db2.gz GMUFCMWWHDRPAP-UHFFFAOYSA-N 1 1 288.311 1.143 20 5 CDBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000348710275 367697541 /nfs/dbraw/zinc/69/75/41/367697541.db2.gz OIONMODJAPMKTF-SNVBAGLBSA-N 1 1 298.339 1.815 20 5 CDBDMO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420382716 244179808 /nfs/dbraw/zinc/17/98/08/244179808.db2.gz ZYCRCCMGEYHTSG-XUJVJEKNSA-N 1 1 293.367 1.950 20 5 CDBDMO C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420593436 244269893 /nfs/dbraw/zinc/26/98/93/244269893.db2.gz BWEMLTARKDDWEV-NXEZZACHSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330906797 203377978 /nfs/dbraw/zinc/37/79/78/203377978.db2.gz NOGQNNIYBHVNRB-PWSUYJOCSA-N 1 1 277.324 1.807 20 5 CDBDMO [NH3+]CC(F)(F)CNCc1csc([N+](=O)[O-])c1 ZINC000414926934 371107593 /nfs/dbraw/zinc/10/75/93/371107593.db2.gz KDRIBHFSPWINND-UHFFFAOYSA-N 1 1 251.258 1.340 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CC[N@@H+](C)CC1 ZINC000272900850 372329244 /nfs/dbraw/zinc/32/92/44/372329244.db2.gz ISEULIHUKDVDJG-QMMMGPOBSA-N 1 1 278.316 1.029 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000194114316 372809778 /nfs/dbraw/zinc/80/97/78/372809778.db2.gz DLBXZKWMGXWTTL-UHFFFAOYSA-N 1 1 288.307 1.758 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 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O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000226771678 285181059 /nfs/dbraw/zinc/18/10/59/285181059.db2.gz JHYQAPSBKNRNKG-SSDOTTSWSA-N 1 1 254.315 1.700 20 5 CDBDMO COc1cc(C[NH2+][C@@H](C)CF)c([N+](=O)[O-])cc1O ZINC000288506856 197097967 /nfs/dbraw/zinc/09/79/67/197097967.db2.gz SNKHFCWADLMCQQ-ZETCQYMHSA-N 1 1 258.249 1.757 20 5 CDBDMO CC[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000288294654 197045309 /nfs/dbraw/zinc/04/53/09/197045309.db2.gz GVIRGZGVTSGGIM-UHFFFAOYSA-N 1 1 291.311 1.607 20 5 CDBDMO CC(C)[N@@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000283749990 390569178 /nfs/dbraw/zinc/56/91/78/390569178.db2.gz KOSXOTYANXOBIP-UHFFFAOYSA-N 1 1 282.340 1.814 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924146 390919998 /nfs/dbraw/zinc/91/99/98/390919998.db2.gz IGUIILSKDAPSHA-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000181122317 391031384 /nfs/dbraw/zinc/03/13/84/391031384.db2.gz 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ZINC000413431514 391214030 /nfs/dbraw/zinc/21/40/30/391214030.db2.gz AUHHCSQKOSXHEK-VIFPVBQESA-N 1 1 270.358 1.617 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200656 391294986 /nfs/dbraw/zinc/29/49/86/391294986.db2.gz OOAICUYVPGGOOW-MFKMUULPSA-N 1 1 289.335 1.807 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421388938 392934589 /nfs/dbraw/zinc/93/45/89/392934589.db2.gz LJHJXAZXLBJSKJ-CYBMUJFWSA-N 1 1 277.324 1.614 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000421388938 392934596 /nfs/dbraw/zinc/93/45/96/392934596.db2.gz LJHJXAZXLBJSKJ-CYBMUJFWSA-N 1 1 277.324 1.614 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421395779 392934826 /nfs/dbraw/zinc/93/48/26/392934826.db2.gz VLOORMJZLHPDOZ-SDQPKGBYSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421395779 392934830 /nfs/dbraw/zinc/93/48/30/392934830.db2.gz VLOORMJZLHPDOZ-SDQPKGBYSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000423051029 392957117 /nfs/dbraw/zinc/95/71/17/392957117.db2.gz ZMSYEINZAVSDMK-SECBINFHSA-N 1 1 283.759 1.988 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449702744 393139993 /nfs/dbraw/zinc/13/99/93/393139993.db2.gz VDPLVQWTSDIQAA-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449702744 393139996 /nfs/dbraw/zinc/13/99/96/393139996.db2.gz VDPLVQWTSDIQAA-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO Cc1cccc2[nH+]c(Cn3cccc([N+](=O)[O-])c3=O)cn21 ZINC000102204196 147148691 /nfs/dbraw/zinc/14/86/91/147148691.db2.gz BQMYMWRFIAVLRH-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000176273701 148035184 /nfs/dbraw/zinc/03/51/84/148035184.db2.gz VVNIUCGNOJHKGU-CYBMUJFWSA-N 1 1 295.387 1.455 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759748 149155567 /nfs/dbraw/zinc/15/55/67/149155567.db2.gz IXSDYKPTXMANLM-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759748 149155569 /nfs/dbraw/zinc/15/55/69/149155569.db2.gz IXSDYKPTXMANLM-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000343071564 152021628 /nfs/dbraw/zinc/02/16/28/152021628.db2.gz FTPINOSKRMRRAG-WDEREUQCSA-N 1 1 294.355 1.916 20 5 CDBDMO C[C@@]1(F)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778526 152299501 /nfs/dbraw/zinc/29/95/01/152299501.db2.gz YLKZYJIIRFGAER-SMDDNHRTSA-N 1 1 298.314 1.768 20 5 CDBDMO C[C@@]1(F)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343778526 152299502 /nfs/dbraw/zinc/29/95/02/152299502.db2.gz YLKZYJIIRFGAER-SMDDNHRTSA-N 1 1 298.314 1.768 20 5 CDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000352189836 155009415 /nfs/dbraw/zinc/00/94/15/155009415.db2.gz JXOTXSVUMGEDGK-LBPRGKRZSA-N 1 1 297.286 1.393 20 5 CDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000352189836 155009416 /nfs/dbraw/zinc/00/94/16/155009416.db2.gz JXOTXSVUMGEDGK-LBPRGKRZSA-N 1 1 297.286 1.393 20 5 CDBDMO CC[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000357234859 157700380 /nfs/dbraw/zinc/70/03/80/157700380.db2.gz HXPSDOWTYFQZKE-UHFFFAOYSA-N 1 1 295.343 1.231 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374211296 160264729 /nfs/dbraw/zinc/26/47/29/160264729.db2.gz ZMEKIVKTNBMBKO-UHFFFAOYSA-N 1 1 290.327 1.431 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000021797888 171325001 /nfs/dbraw/zinc/32/50/01/171325001.db2.gz FHSMAZPSJBQQGI-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000284762360 196126449 /nfs/dbraw/zinc/12/64/49/196126449.db2.gz MDUICTXJKFZVJK-SNVBAGLBSA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000278707008 274841751 /nfs/dbraw/zinc/84/17/51/274841751.db2.gz NOSDJHCVTALRDB-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269328289 276041084 /nfs/dbraw/zinc/04/10/84/276041084.db2.gz DRWIVNIWJOPSMV-SECBINFHSA-N 1 1 295.343 1.217 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576129 277146875 /nfs/dbraw/zinc/14/68/75/277146875.db2.gz RZNYANPUSVHZQW-SKDRFNHKSA-N 1 1 294.330 1.847 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149166700 277162759 /nfs/dbraw/zinc/16/27/59/277162759.db2.gz ORRMUSVYRWGTDP-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO CNc1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000532787665 282040975 /nfs/dbraw/zinc/04/09/75/282040975.db2.gz PBSFZJPWJRNTOX-UHFFFAOYSA-N 1 1 278.312 1.072 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000561350834 293080634 /nfs/dbraw/zinc/08/06/34/293080634.db2.gz MMAVZSOBPZZUFS-UHFFFAOYSA-N 1 1 276.300 1.473 20 5 CDBDMO CC[N@H+](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)C1CC1 ZINC000350889092 316218108 /nfs/dbraw/zinc/21/81/08/316218108.db2.gz LQJHKIHVBOVICN-UHFFFAOYSA-N 1 1 292.299 1.363 20 5 CDBDMO CC[N@@H+](Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1)C1CC1 ZINC000350889092 316218113 /nfs/dbraw/zinc/21/81/13/316218113.db2.gz LQJHKIHVBOVICN-UHFFFAOYSA-N 1 1 292.299 1.363 20 5 CDBDMO Cc1c(C[N@@H+]2CCC[C@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000563364912 316271302 /nfs/dbraw/zinc/27/13/02/316271302.db2.gz RKTAFSBUNXTKEE-OAHLLOKOSA-N 1 1 289.335 1.758 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@]23CCNC3=O)cccc1[N+](=O)[O-] ZINC000563364912 316271304 /nfs/dbraw/zinc/27/13/04/316271304.db2.gz RKTAFSBUNXTKEE-OAHLLOKOSA-N 1 1 289.335 1.758 20 5 CDBDMO COCC[N@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000061375993 523608395 /nfs/dbraw/zinc/60/83/95/523608395.db2.gz AIDDZQSTSPICLE-UHFFFAOYSA-N 1 1 267.329 1.263 20 5 CDBDMO COCC[N@@H+](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000061375993 523608402 /nfs/dbraw/zinc/60/84/02/523608402.db2.gz AIDDZQSTSPICLE-UHFFFAOYSA-N 1 1 267.329 1.263 20 5 CDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000245715386 524476288 /nfs/dbraw/zinc/47/62/88/524476288.db2.gz URHRPWKJXJUPHI-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000245715386 524476294 /nfs/dbraw/zinc/47/62/94/524476294.db2.gz URHRPWKJXJUPHI-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000245715386 524476299 /nfs/dbraw/zinc/47/62/99/524476299.db2.gz URHRPWKJXJUPHI-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO CS(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443528 525125672 /nfs/dbraw/zinc/12/56/72/525125672.db2.gz LLGRXUFYPZRFHC-UHFFFAOYSA-N 1 1 292.744 1.382 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338627753 527347355 /nfs/dbraw/zinc/34/73/55/527347355.db2.gz RWLUWBXWRYGBLD-ZDUSSCGKSA-N 1 1 268.288 1.544 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338627753 527347360 /nfs/dbraw/zinc/34/73/60/527347360.db2.gz RWLUWBXWRYGBLD-ZDUSSCGKSA-N 1 1 268.288 1.544 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000304287934 528741409 /nfs/dbraw/zinc/74/14/09/528741409.db2.gz BDRZBCSOXHMTKT-YPMHNXCESA-N 1 1 284.360 1.519 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932528351 617325564 /nfs/dbraw/zinc/32/55/64/617325564.db2.gz CTGBJKFBWDDIKA-HNNXBMFYSA-N 1 1 287.319 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCn3cccc3C2)cc1 ZINC000932528351 617325565 /nfs/dbraw/zinc/32/55/65/617325565.db2.gz CTGBJKFBWDDIKA-HNNXBMFYSA-N 1 1 287.319 1.946 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000931710815 617683176 /nfs/dbraw/zinc/68/31/76/617683176.db2.gz YCUMMAQZSACVJQ-CYBMUJFWSA-N 1 1 261.325 1.748 20 5 CDBDMO C[C@@H](CNc1c([N+](=O)[O-])cnn1C)[N@@H+](C)C1CC1 ZINC000892302754 617724909 /nfs/dbraw/zinc/72/49/09/617724909.db2.gz ALYQKPZYJZGGGW-QMMMGPOBSA-N 1 1 253.306 1.223 20 5 CDBDMO COc1c(O)ccc(CN[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892938652 617931667 /nfs/dbraw/zinc/93/16/67/617931667.db2.gz GVZDXFIOWDXQMV-JTQLQIEISA-N 1 1 281.312 1.103 20 5 CDBDMO COc1c(O)ccc(CN[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892938652 617931671 /nfs/dbraw/zinc/93/16/71/617931671.db2.gz GVZDXFIOWDXQMV-JTQLQIEISA-N 1 1 281.312 1.103 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000893872076 618116334 /nfs/dbraw/zinc/11/63/34/618116334.db2.gz OHOFMQSAISXZJR-LLVKDONJSA-N 1 1 277.324 1.727 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000893936083 618195819 /nfs/dbraw/zinc/19/58/19/618195819.db2.gz VEFSWYLUQUCHCZ-RNCFNFMXSA-N 1 1 292.295 1.643 20 5 CDBDMO CC[N@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892459681 618224338 /nfs/dbraw/zinc/22/43/38/618224338.db2.gz CWQPEFOHPYJLHB-JTQLQIEISA-N 1 1 267.333 1.615 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000151241521 630433025 /nfs/dbraw/zinc/43/30/25/630433025.db2.gz UDSNBXMBMVFFIK-CYBMUJFWSA-N 1 1 280.328 1.478 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000151241521 630433029 /nfs/dbraw/zinc/43/30/29/630433029.db2.gz UDSNBXMBMVFFIK-CYBMUJFWSA-N 1 1 280.328 1.478 20 5 CDBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929836996 631510002 /nfs/dbraw/zinc/51/00/02/631510002.db2.gz ZFIIGTWSSWAOIN-NSHDSACASA-N 1 1 272.345 1.707 20 5 CDBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929836996 631510009 /nfs/dbraw/zinc/51/00/09/631510009.db2.gz ZFIIGTWSSWAOIN-NSHDSACASA-N 1 1 272.345 1.707 20 5 CDBDMO Cc1nn(C[C@@H]2CCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000917129622 632160115 /nfs/dbraw/zinc/16/01/15/632160115.db2.gz DHBQNXCUKFZBSP-JTQLQIEISA-N 1 1 275.312 1.742 20 5 CDBDMO Cc1cc(=O)n(C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000917221604 632177521 /nfs/dbraw/zinc/17/75/21/632177521.db2.gz YUJKFKCQKJEQJT-JTQLQIEISA-N 1 1 251.286 1.159 20 5 CDBDMO Cc1nn(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000793770123 1162443921 /nfs/dbraw/zinc/44/39/21/1162443921.db2.gz WPPRWZAPGUMGOJ-ZDUSSCGKSA-N 1 1 279.344 1.085 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195204 1167455638 /nfs/dbraw/zinc/45/56/38/1167455638.db2.gz MOSDHLRSAHENKE-JTQLQIEISA-N 1 1 278.312 1.200 20 5 CDBDMO COc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164639330 719187114 /nfs/dbraw/zinc/18/71/14/719187114.db2.gz RSYDDPDERVGKBX-UWVGGRQHSA-N 1 1 280.328 1.527 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc(Cl)ncc3[N+](=O)[O-])C[C@@H]21 ZINC001164669524 719378132 /nfs/dbraw/zinc/37/81/32/719378132.db2.gz QNDSIHRJKWXSEG-QWRGUYRKSA-N 1 1 298.730 1.162 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000882478655 726132038 /nfs/dbraw/zinc/13/20/38/726132038.db2.gz AFFKECBRWSCZHU-GFCCVEGCSA-N 1 1 293.323 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCn3nncc3C2)cc1 ZINC000886455195 726202737 /nfs/dbraw/zinc/20/27/37/726202737.db2.gz DRZUIONZIDGVED-UHFFFAOYSA-N 1 1 287.323 1.635 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721471 726204762 /nfs/dbraw/zinc/20/47/62/726204762.db2.gz MPDJMXOUNJBVRQ-CDGCEXEKSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721471 726204765 /nfs/dbraw/zinc/20/47/65/726204765.db2.gz MPDJMXOUNJBVRQ-CDGCEXEKSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721471 726204767 /nfs/dbraw/zinc/20/47/67/726204767.db2.gz MPDJMXOUNJBVRQ-CDGCEXEKSA-N 1 1 295.383 1.421 20 5 CDBDMO CC(C)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881793892 726210416 /nfs/dbraw/zinc/21/04/16/726210416.db2.gz HDASWDQMGGKHHQ-UHFFFAOYSA-N 1 1 268.292 1.659 20 5 CDBDMO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839773172 726299316 /nfs/dbraw/zinc/29/93/16/726299316.db2.gz JBJOFWZOCNSEHX-ZIAGYGMSSA-N 1 1 297.399 1.766 20 5 CDBDMO CC[N@@H+]1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886270503 726309598 /nfs/dbraw/zinc/30/95/98/726309598.db2.gz FNVQAXTUVYUKDL-TXEJJXNPSA-N 1 1 278.356 1.904 20 5 CDBDMO C[N@H+]1CC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000886310506 726332334 /nfs/dbraw/zinc/33/23/34/726332334.db2.gz MQHPBXBKBXQFLV-AAEUAGOBSA-N 1 1 276.340 1.516 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822523427 726384874 /nfs/dbraw/zinc/38/48/74/726384874.db2.gz MLWYPLDOXGMDTL-LBPRGKRZSA-N 1 1 285.388 1.670 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712322721 726413577 /nfs/dbraw/zinc/41/35/77/726413577.db2.gz FYRYEOVHPKMNKV-QMMMGPOBSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712322721 726413579 /nfs/dbraw/zinc/41/35/79/726413579.db2.gz FYRYEOVHPKMNKV-QMMMGPOBSA-N 1 1 267.260 1.168 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3COCCO3)nc2c1 ZINC000876951081 726860418 /nfs/dbraw/zinc/86/04/18/726860418.db2.gz CWXWODSXUKRKHD-JTQLQIEISA-N 1 1 293.279 1.241 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886215176 726885167 /nfs/dbraw/zinc/88/51/67/726885167.db2.gz FMXPKMPJNCMVHZ-CQSZACIVSA-N 1 1 276.340 1.517 20 5 CDBDMO CC1(CO)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886134412 726944133 /nfs/dbraw/zinc/94/41/33/726944133.db2.gz RLLSXYYCKPHKFC-UHFFFAOYSA-N 1 1 265.313 1.584 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804444023 726983639 /nfs/dbraw/zinc/98/36/39/726983639.db2.gz SOWIUXYCJWPNPL-SNVBAGLBSA-N 1 1 264.329 1.931 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805792461 726992202 /nfs/dbraw/zinc/99/22/02/726992202.db2.gz UZAHNCMOBOLLSP-RISCZKNCSA-N 1 1 282.340 1.721 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000859572223 727134448 /nfs/dbraw/zinc/13/44/48/727134448.db2.gz YIRWLSNADFULGW-CYBMUJFWSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853390129 727191231 /nfs/dbraw/zinc/19/12/31/727191231.db2.gz MFJNWJQTSWJOOP-VIFPVBQESA-N 1 1 266.301 1.592 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886816538 727315621 /nfs/dbraw/zinc/31/56/21/727315621.db2.gz VKDSAJRQFOYIMJ-WCQYABFASA-N 1 1 277.324 1.991 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134674 727344104 /nfs/dbraw/zinc/34/41/04/727344104.db2.gz YKQOYFNESPYRSH-GFCCVEGCSA-N 1 1 251.286 1.337 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591972 727370788 /nfs/dbraw/zinc/37/07/88/727370788.db2.gz NIEDOYXQYZVSRP-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000776578082 727396390 /nfs/dbraw/zinc/39/63/90/727396390.db2.gz DGBMBZPQSGZUPQ-CHWSQXEVSA-N 1 1 266.297 1.085 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879968347 727408240 /nfs/dbraw/zinc/40/82/40/727408240.db2.gz MNLYDILUJAPQPU-UHFFFAOYSA-N 1 1 298.314 1.301 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858811823 727429742 /nfs/dbraw/zinc/42/97/42/727429742.db2.gz GEFDRGPORXXYNJ-SNVBAGLBSA-N 1 1 285.731 1.727 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884483261 727474455 /nfs/dbraw/zinc/47/44/55/727474455.db2.gz QLYAEUPUOMKKGJ-MNOVXSKESA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000884483261 727474459 /nfs/dbraw/zinc/47/44/59/727474459.db2.gz QLYAEUPUOMKKGJ-MNOVXSKESA-N 1 1 266.301 1.250 20 5 CDBDMO CCn1nncc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858439348 727825792 /nfs/dbraw/zinc/82/57/92/727825792.db2.gz BKTNFMLKRIAMLM-SECBINFHSA-N 1 1 290.327 1.639 20 5 CDBDMO COc1cc(Cc2noc([C@@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191742 727837132 /nfs/dbraw/zinc/83/71/32/727837132.db2.gz LUTSHXMXHFGNEG-SSDOTTSWSA-N 1 1 278.268 1.597 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)cs1 ZINC000886580817 727918797 /nfs/dbraw/zinc/91/87/97/727918797.db2.gz ZBCMXDTUYYBBJA-OUAUKWLOSA-N 1 1 268.338 1.859 20 5 CDBDMO CCCC[N@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057185 728007217 /nfs/dbraw/zinc/00/72/17/728007217.db2.gz TZUUKLKQJTZOFP-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCC[N@@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819057185 728007221 /nfs/dbraw/zinc/00/72/21/728007221.db2.gz TZUUKLKQJTZOFP-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823247749 728297897 /nfs/dbraw/zinc/29/78/97/728297897.db2.gz RUFAKAPLGVWZDA-GFCCVEGCSA-N 1 1 285.388 1.813 20 5 CDBDMO CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000827309119 728312781 /nfs/dbraw/zinc/31/27/81/728312781.db2.gz AWNJXEZKHCHDMY-LLVKDONJSA-N 1 1 271.361 1.375 20 5 CDBDMO COC[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233170 912326280 /nfs/dbraw/zinc/32/62/80/912326280.db2.gz UHPCZIIRQZEAAB-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233170 912326299 /nfs/dbraw/zinc/32/62/99/912326299.db2.gz UHPCZIIRQZEAAB-DOMZBBRYSA-N 1 1 294.351 1.873 20 5 CDBDMO C[N@@H+]1CCc2c(NCc3cncnc3)ccc([N+](=O)[O-])c2C1 ZINC001167268595 895004622 /nfs/dbraw/zinc/00/46/22/895004622.db2.gz QXJNQTLXKZKIBH-UHFFFAOYSA-N 1 1 299.334 1.985 20 5 CDBDMO C[N@H+]1CCc2c(NCc3cncnc3)ccc([N+](=O)[O-])c2C1 ZINC001167268595 895004638 /nfs/dbraw/zinc/00/46/38/895004638.db2.gz QXJNQTLXKZKIBH-UHFFFAOYSA-N 1 1 299.334 1.985 20 5 CDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177793147 898293777 /nfs/dbraw/zinc/29/37/77/898293777.db2.gz SDUIQTNJSABAQT-GFCCVEGCSA-N 1 1 296.327 1.209 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000177793147 898293792 /nfs/dbraw/zinc/29/37/92/898293792.db2.gz SDUIQTNJSABAQT-GFCCVEGCSA-N 1 1 296.327 1.209 20 5 CDBDMO CCOc1cnc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167877618 901597488 /nfs/dbraw/zinc/59/74/88/901597488.db2.gz HHIUFTNNZYXYHD-UHFFFAOYSA-N 1 1 296.331 1.064 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751604 905571453 /nfs/dbraw/zinc/57/14/53/905571453.db2.gz MRMAKJOAUFHNSM-SNVBAGLBSA-N 1 1 269.276 1.990 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224109393 909165423 /nfs/dbraw/zinc/16/54/23/909165423.db2.gz SELYSOBXTJVHJY-LBPRGKRZSA-N 1 1 265.313 1.989 20 5 CDBDMO [NH3+]Cc1nccnc1Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001171449047 910676811 /nfs/dbraw/zinc/67/68/11/910676811.db2.gz HVMUUMQMFUVKBD-UHFFFAOYSA-N 1 1 285.267 1.463 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047434 925616132 /nfs/dbraw/zinc/61/61/32/925616132.db2.gz SQWXHKMZKIZDHC-ZETCQYMHSA-N 1 1 270.744 1.480 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976330 927563772 /nfs/dbraw/zinc/56/37/72/927563772.db2.gz CUBVCLZXQSELHT-MXWKQRLJSA-N 1 1 256.302 1.069 20 5 CDBDMO Cc1noc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001168996030 927603625 /nfs/dbraw/zinc/60/36/25/927603625.db2.gz UGZXGWSVSOXQQQ-NXEZZACHSA-N 1 1 266.301 1.402 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCCC23COC3)C1 ZINC001169037254 927647366 /nfs/dbraw/zinc/64/73/66/927647366.db2.gz RLWNXAVLEYRTJR-NWDGAFQWSA-N 1 1 254.330 1.687 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ncncc3C2)C1 ZINC001169038284 927651635 /nfs/dbraw/zinc/65/16/35/927651635.db2.gz XROUDOBYJWQGBJ-ZYHUDNBSSA-N 1 1 262.313 1.280 20 5 CDBDMO COC(=O)[C@H](C(C)C)[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039977 927653262 /nfs/dbraw/zinc/65/32/62/927653262.db2.gz WNDWBEHPVZIBLT-WOPDTQHZSA-N 1 1 272.345 1.561 20 5 CDBDMO CCO[C@@H]1C[C@H]2CN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[N@H+]2C1 ZINC001169019204 927660192 /nfs/dbraw/zinc/66/01/92/927660192.db2.gz FPJFCUCAXAJRBY-APIJFGDWSA-N 1 1 297.399 1.227 20 5 CDBDMO CN1C(=O)CC[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050614 927668396 /nfs/dbraw/zinc/66/83/96/927668396.db2.gz BYIVNGXZLGEHDF-XJFOESAGSA-N 1 1 295.383 1.375 20 5 CDBDMO CC(C)N1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053557 927672094 /nfs/dbraw/zinc/67/20/94/927672094.db2.gz IOWWBRKZZGARIM-MELADBBJSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053557 927672102 /nfs/dbraw/zinc/67/21/02/927672102.db2.gz IOWWBRKZZGARIM-MELADBBJSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053557 927672109 /nfs/dbraw/zinc/67/21/09/927672109.db2.gz IOWWBRKZZGARIM-MELADBBJSA-N 1 1 269.389 1.846 20 5 CDBDMO CCN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057490 927675631 /nfs/dbraw/zinc/67/56/31/927675631.db2.gz VZTRSEFLKMPLAR-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675091 937278167 /nfs/dbraw/zinc/27/81/67/937278167.db2.gz UXAYIEMPBYTBMQ-CYBMUJFWSA-N 1 1 299.758 1.404 20 5 CDBDMO CN1CC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783675091 937278170 /nfs/dbraw/zinc/27/81/70/937278170.db2.gz UXAYIEMPBYTBMQ-CYBMUJFWSA-N 1 1 299.758 1.404 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c(C)c1[N+](=O)[O-] ZINC000246643157 934842307 /nfs/dbraw/zinc/84/23/07/934842307.db2.gz SIGKULLNXUCEJR-JOYOIKCWSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(C)c1[N+](=O)[O-] ZINC000246643157 934842316 /nfs/dbraw/zinc/84/23/16/934842316.db2.gz SIGKULLNXUCEJR-JOYOIKCWSA-N 1 1 282.344 1.601 20 5 CDBDMO COc1nc(NCC[C@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156381478 938360629 /nfs/dbraw/zinc/36/06/29/938360629.db2.gz RUEMQCOJNTXXCU-SNVBAGLBSA-N 1 1 295.343 1.537 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001156639810 938399275 /nfs/dbraw/zinc/39/92/75/938399275.db2.gz VMZFHMBGKJUDGE-YFKPBYRVSA-N 1 1 289.748 1.516 20 5 CDBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C2(CCCC2)C1 ZINC001158403780 938618964 /nfs/dbraw/zinc/61/89/64/938618964.db2.gz CGSQDRKMBICQFX-UHFFFAOYSA-N 1 1 292.339 1.293 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])nc1Cl ZINC001159784903 938752795 /nfs/dbraw/zinc/75/27/95/938752795.db2.gz LYLNRPGLSNXMKW-MRVPVSSYSA-N 1 1 273.724 1.387 20 5 CDBDMO CC(C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090843 938768662 /nfs/dbraw/zinc/76/86/62/938768662.db2.gz RHEGIJRHQPTSMC-CHWSQXEVSA-N 1 1 281.356 1.198 20 5 CDBDMO CC(C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090843 938768663 /nfs/dbraw/zinc/76/86/63/938768663.db2.gz RHEGIJRHQPTSMC-CHWSQXEVSA-N 1 1 281.356 1.198 20 5 CDBDMO CC(C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090843 938768664 /nfs/dbraw/zinc/76/86/64/938768664.db2.gz RHEGIJRHQPTSMC-CHWSQXEVSA-N 1 1 281.356 1.198 20 5 CDBDMO O=[N+]([O-])c1ccnc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC001160719059 938818308 /nfs/dbraw/zinc/81/83/08/938818308.db2.gz BTZXMEYAKRPBDL-QWHCGFSZSA-N 1 1 292.339 1.655 20 5 CDBDMO Cc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001225663951 941895805 /nfs/dbraw/zinc/89/58/05/941895805.db2.gz VJCPYLCSPPTWGD-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ncc1[N+](=O)[O-] ZINC001225663951 941895809 /nfs/dbraw/zinc/89/58/09/941895809.db2.gz VJCPYLCSPPTWGD-UFGOTCBOSA-N 1 1 291.307 1.481 20 5 CDBDMO COc1ccc(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225767771 941911779 /nfs/dbraw/zinc/91/17/79/941911779.db2.gz UIGJDLFVSWGWDZ-JTQLQIEISA-N 1 1 252.270 1.686 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710583 942054006 /nfs/dbraw/zinc/05/40/06/942054006.db2.gz SUQVNKKDOAYMAQ-LLVKDONJSA-N 1 1 251.286 1.851 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217367 942150830 /nfs/dbraw/zinc/15/08/30/942150830.db2.gz WHILCCOYZRLWEJ-SNVBAGLBSA-N 1 1 289.291 1.932 20 5 CDBDMO O=[N+]([O-])c1cncc(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001227990158 942253497 /nfs/dbraw/zinc/25/34/97/942253497.db2.gz GXCCQKXALHXHDN-SNVBAGLBSA-N 1 1 260.253 1.580 20 5 CDBDMO C[N@@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228607742 942340391 /nfs/dbraw/zinc/34/03/91/942340391.db2.gz YYTFDRFXPKOOTC-MRVPVSSYSA-N 1 1 280.284 1.051 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228607742 942340395 /nfs/dbraw/zinc/34/03/95/942340395.db2.gz YYTFDRFXPKOOTC-MRVPVSSYSA-N 1 1 280.284 1.051 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)C[NH+](C)C)cc1O ZINC001228808776 942380332 /nfs/dbraw/zinc/38/03/32/942380332.db2.gz DOEOBPUQZHSRAN-MRVPVSSYSA-N 1 1 298.295 1.416 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229399539 942465278 /nfs/dbraw/zinc/46/52/78/942465278.db2.gz LWCZAAOPDMKIRL-SNVBAGLBSA-N 1 1 274.280 1.621 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001233553658 943615552 /nfs/dbraw/zinc/61/55/52/943615552.db2.gz LWXGSZHXEWWHSW-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234881671 943967245 /nfs/dbraw/zinc/96/72/45/943967245.db2.gz RXBGWWRIPKEVNR-SNVBAGLBSA-N 1 1 281.312 1.862 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C(N)=O ZINC001254550860 947523113 /nfs/dbraw/zinc/52/31/13/947523113.db2.gz SPYWDDIZPMMFHV-GWCFXTLKSA-N 1 1 277.324 1.476 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1C(N)=O ZINC001254550860 947523119 /nfs/dbraw/zinc/52/31/19/947523119.db2.gz SPYWDDIZPMMFHV-GWCFXTLKSA-N 1 1 277.324 1.476 20 5 CDBDMO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565851 947528173 /nfs/dbraw/zinc/52/81/73/947528173.db2.gz QLLUPYGZABLFQD-FZMZJTMJSA-N 1 1 291.351 1.736 20 5 CDBDMO CN1CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254572068 947530494 /nfs/dbraw/zinc/53/04/94/947530494.db2.gz HVLUIBPWJQJZNV-BXUZGUMPSA-N 1 1 275.352 1.603 20 5 CDBDMO CC1([NH3+])CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254582405 947540649 /nfs/dbraw/zinc/54/06/49/947540649.db2.gz TZOYRRYFNFIAOY-AWEZNQCLSA-N 1 1 275.352 1.875 20 5 CDBDMO CN1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1=O ZINC001254597992 947546069 /nfs/dbraw/zinc/54/60/69/947546069.db2.gz FXYHDVLDKYIHOQ-AWEZNQCLSA-N 1 1 289.335 1.226 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593961 947546500 /nfs/dbraw/zinc/54/65/00/947546500.db2.gz OKACKFJKESWSKR-VCTAVGKDSA-N 1 1 276.336 1.765 20 5 CDBDMO C[N@@H+]([C@H]1CCOC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598999 947547818 /nfs/dbraw/zinc/54/78/18/947547818.db2.gz JDTXXELGYWIBHH-KBPBESRZSA-N 1 1 262.309 1.783 20 5 CDBDMO COC[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606420 947554256 /nfs/dbraw/zinc/55/42/56/947554256.db2.gz FWLKKHXSZACEIL-CABCVRRESA-N 1 1 292.335 1.409 20 5 CDBDMO COC[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254606420 947554268 /nfs/dbraw/zinc/55/42/68/947554268.db2.gz FWLKKHXSZACEIL-CABCVRRESA-N 1 1 292.335 1.409 20 5 CDBDMO COc1cc(C[N@H+](CC[N+](=O)[O-])C2CC2)ccc1O ZINC001332686613 957667050 /nfs/dbraw/zinc/66/70/50/957667050.db2.gz ZMTGLHLQPCMROI-UHFFFAOYSA-N 1 1 266.297 1.642 20 5 CDBDMO COc1cc(C[N@@H+](CC[N+](=O)[O-])C2CC2)ccc1O ZINC001332686613 957667054 /nfs/dbraw/zinc/66/70/54/957667054.db2.gz ZMTGLHLQPCMROI-UHFFFAOYSA-N 1 1 266.297 1.642 20 5 CDBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001334783478 959360742 /nfs/dbraw/zinc/36/07/42/959360742.db2.gz QPUVEHMQHXHSTJ-LLVKDONJSA-N 1 1 258.318 1.317 20 5 CDBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC001334783478 959360768 /nfs/dbraw/zinc/36/07/68/959360768.db2.gz QPUVEHMQHXHSTJ-LLVKDONJSA-N 1 1 258.318 1.317 20 5 CDBDMO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001336201067 960246138 /nfs/dbraw/zinc/24/61/38/960246138.db2.gz JWRGWJWNTDBPJM-LLVKDONJSA-N 1 1 293.323 1.515 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001336201067 960246143 /nfs/dbraw/zinc/24/61/43/960246143.db2.gz JWRGWJWNTDBPJM-LLVKDONJSA-N 1 1 293.323 1.515 20 5 CDBDMO CCc1ccc(NCCn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC001337080281 960921125 /nfs/dbraw/zinc/92/11/25/960921125.db2.gz KKHLLPJMWLIPBO-UHFFFAOYSA-N 1 1 261.285 1.861 20 5 CDBDMO CC(C)(C)[N@H+]1CCCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001337757557 961406005 /nfs/dbraw/zinc/40/60/05/961406005.db2.gz YVMDTXLRNYFNPO-UHFFFAOYSA-N 1 1 293.371 1.883 20 5 CDBDMO C[C@@H](NCC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001337776690 961418214 /nfs/dbraw/zinc/41/82/14/961418214.db2.gz CXBBBMYJWAEYST-HIFRSBDPSA-N 1 1 277.368 1.763 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H](CF)C2)c(C)c1[N+](=O)[O-] ZINC001353199014 967771032 /nfs/dbraw/zinc/77/10/32/967771032.db2.gz MFIBAQIRIVHPLV-SNVBAGLBSA-N 1 1 256.281 1.657 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H](CF)C2)c(C)c1[N+](=O)[O-] ZINC001353199014 967771037 /nfs/dbraw/zinc/77/10/37/967771037.db2.gz MFIBAQIRIVHPLV-SNVBAGLBSA-N 1 1 256.281 1.657 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCOC3)c2c1 ZINC000601135769 342476256 /nfs/dbraw/zinc/47/62/56/342476256.db2.gz XVZVPRULGATZAY-VIFPVBQESA-N 1 1 259.265 1.766 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000601185700 342489289 /nfs/dbraw/zinc/48/92/89/342489289.db2.gz ZAMPQDYMTLKOIG-NEPJUHHUSA-N 1 1 276.340 1.686 20 5 CDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000601186738 342489379 /nfs/dbraw/zinc/48/93/79/342489379.db2.gz YPFTVPMGAXEZDG-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO COC[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000601139530 342479644 /nfs/dbraw/zinc/47/96/44/342479644.db2.gz JTHWLGQLZRKYNR-LLVKDONJSA-N 1 1 291.307 1.638 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590578302 342577323 /nfs/dbraw/zinc/57/73/23/342577323.db2.gz PQXFWBQVFWEBNR-UHFFFAOYSA-N 1 1 276.300 1.001 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000590758663 342588496 /nfs/dbraw/zinc/58/84/96/342588496.db2.gz CXEWSJPZCHWWLG-LBPRGKRZSA-N 1 1 282.369 1.619 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057718581 342151879 /nfs/dbraw/zinc/15/18/79/342151879.db2.gz KTXSUBOBSOVRGE-JTQLQIEISA-N 1 1 277.324 1.807 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593384799 342793191 /nfs/dbraw/zinc/79/31/91/342793191.db2.gz TVWDMUUNIROFOT-UHFFFAOYSA-N 1 1 295.314 1.441 20 5 CDBDMO Cc1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593680138 342826219 /nfs/dbraw/zinc/82/62/19/342826219.db2.gz QYJLRYCMWDJEAL-CQSZACIVSA-N 1 1 291.351 1.154 20 5 CDBDMO C[C@@H](NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600712233 342243874 /nfs/dbraw/zinc/24/38/74/342243874.db2.gz VCUKMKAEWPNIKE-PWSUYJOCSA-N 1 1 265.313 1.234 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419790 342903111 /nfs/dbraw/zinc/90/31/11/342903111.db2.gz RLQRULLASIAIHI-GHMZBOCLSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420482 342903230 /nfs/dbraw/zinc/90/32/30/342903230.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420482 342903231 /nfs/dbraw/zinc/90/32/31/342903231.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420482 342903232 /nfs/dbraw/zinc/90/32/32/342903232.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 1 1 293.327 1.065 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000524300492 539106978 /nfs/dbraw/zinc/10/69/78/539106978.db2.gz RYEPPBPYLUSTSP-GFCCVEGCSA-N 1 1 277.324 1.505 20 5 CDBDMO CC(C)Oc1nc(NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000594548799 342916221 /nfs/dbraw/zinc/91/62/21/342916221.db2.gz FFUFCNIRQGLDMF-NSHDSACASA-N 1 1 294.355 1.563 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335995 349735592 /nfs/dbraw/zinc/73/55/92/349735592.db2.gz BFBATIVMMKVGBS-LLVKDONJSA-N 1 1 277.324 1.666 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](CO)C1 ZINC000595334747 343028745 /nfs/dbraw/zinc/02/87/45/343028745.db2.gz VTGQXVCAYKDYBY-VIFPVBQESA-N 1 1 254.261 1.548 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000595334747 343028748 /nfs/dbraw/zinc/02/87/48/343028748.db2.gz VTGQXVCAYKDYBY-VIFPVBQESA-N 1 1 254.261 1.548 20 5 CDBDMO COC(=O)CC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCC1 ZINC000595422695 343055996 /nfs/dbraw/zinc/05/59/96/343055996.db2.gz JIYXRAXLNSYTLO-UHFFFAOYSA-N 1 1 283.284 1.467 20 5 CDBDMO Cc1noc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595426732 343056810 /nfs/dbraw/zinc/05/68/10/343056810.db2.gz QGOVYEMGLOPSJA-QWHCGFSZSA-N 1 1 281.312 1.938 20 5 CDBDMO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595428917 343057989 /nfs/dbraw/zinc/05/79/89/343057989.db2.gz AAYIDJQQLFGZQD-NXEZZACHSA-N 1 1 269.301 1.938 20 5 CDBDMO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000595436294 343060395 /nfs/dbraw/zinc/06/03/95/343060395.db2.gz MJWDIMHGIVXCKX-IUCAKERBSA-N 1 1 282.300 1.025 20 5 CDBDMO Cn1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000595461066 343070365 /nfs/dbraw/zinc/07/03/65/343070365.db2.gz LJMDKKRKFMBDLX-UHFFFAOYSA-N 1 1 290.327 1.362 20 5 CDBDMO Cc1noc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000595504440 343079567 /nfs/dbraw/zinc/07/95/67/343079567.db2.gz JHFSXPZRYBBEKJ-AWEZNQCLSA-N 1 1 294.355 1.809 20 5 CDBDMO Cc1noc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000595511665 343081560 /nfs/dbraw/zinc/08/15/60/343081560.db2.gz IYRUODADGMADNA-BDAKNGLRSA-N 1 1 255.274 1.140 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595520331 343087985 /nfs/dbraw/zinc/08/79/85/343087985.db2.gz KEYXURKACJLVDF-NSHDSACASA-N 1 1 282.344 1.807 20 5 CDBDMO CCC[C@]1(CO)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595490887 343076205 /nfs/dbraw/zinc/07/62/05/343076205.db2.gz SMPQCYZZRMTWOB-ZDUSSCGKSA-N 1 1 283.328 1.876 20 5 CDBDMO CCC[C@]1(CO)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595490887 343076206 /nfs/dbraw/zinc/07/62/06/343076206.db2.gz SMPQCYZZRMTWOB-ZDUSSCGKSA-N 1 1 283.328 1.876 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595690140 343132548 /nfs/dbraw/zinc/13/25/48/343132548.db2.gz VNLVNNPJLMAKJK-ONGXEEELSA-N 1 1 283.328 1.874 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1=CCCOC1 ZINC000595751040 343152230 /nfs/dbraw/zinc/15/22/30/343152230.db2.gz FWLPPJYSJNNQHW-UHFFFAOYSA-N 1 1 266.301 1.070 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080601124 342357324 /nfs/dbraw/zinc/35/73/24/342357324.db2.gz XGTGAYVYWDPVLF-RYUDHWBXSA-N 1 1 294.355 1.819 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CC1(C)C ZINC000595910222 343189463 /nfs/dbraw/zinc/18/94/63/343189463.db2.gz RSWKBTYIYZWXLN-SNVBAGLBSA-N 1 1 252.318 1.769 20 5 CDBDMO CCCC[N@@H+](C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596124314 343236359 /nfs/dbraw/zinc/23/63/59/343236359.db2.gz VITUPUQARFWPCM-UHFFFAOYSA-N 1 1 268.317 1.839 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000066958952 343380503 /nfs/dbraw/zinc/38/05/03/343380503.db2.gz GHQYOKAUBDKPEY-UHFFFAOYSA-N 1 1 281.312 1.285 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597854972 343646967 /nfs/dbraw/zinc/64/69/67/343646967.db2.gz OBRAWUSSIUWPJV-SNVBAGLBSA-N 1 1 294.355 1.773 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925729 343663484 /nfs/dbraw/zinc/66/34/84/343663484.db2.gz QLTNPELHSCWZRL-SECBINFHSA-N 1 1 281.312 1.790 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599654254 344104001 /nfs/dbraw/zinc/10/40/01/344104001.db2.gz FKXAXOHIWPCLIL-GSJFWJNXSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599655846 344104996 /nfs/dbraw/zinc/10/49/96/344104996.db2.gz PYDZTJOIFBRTSJ-WVSHTKLVSA-N 1 1 266.297 1.503 20 5 CDBDMO CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599655846 344104999 /nfs/dbraw/zinc/10/49/99/344104999.db2.gz PYDZTJOIFBRTSJ-WVSHTKLVSA-N 1 1 266.297 1.503 20 5 CDBDMO COC[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778657 344593952 /nfs/dbraw/zinc/59/39/52/344593952.db2.gz JMCXYTZIXGEUQU-NSHDSACASA-N 1 1 268.317 1.068 20 5 CDBDMO CC[N@@H+](CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602763454 344583886 /nfs/dbraw/zinc/58/38/86/344583886.db2.gz KPGPWDSBESFQPL-UHFFFAOYSA-N 1 1 256.306 1.068 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000602835305 344618445 /nfs/dbraw/zinc/61/84/45/344618445.db2.gz ADZSMHPSPLPIDV-LBPRGKRZSA-N 1 1 294.355 1.479 20 5 CDBDMO CS[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602837751 344619633 /nfs/dbraw/zinc/61/96/33/344619633.db2.gz ZTEPEBNIEXEBEW-JTQLQIEISA-N 1 1 270.358 1.537 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000609965686 346051490 /nfs/dbraw/zinc/05/14/90/346051490.db2.gz PTJJIKWZQMOSJW-GFCCVEGCSA-N 1 1 264.329 1.766 20 5 CDBDMO COCC[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523132 346066536 /nfs/dbraw/zinc/06/65/36/346066536.db2.gz HYMYTEJFLLCHMQ-NEPJUHHUSA-N 1 1 294.355 1.901 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C[N@H+]1C1CC1 ZINC000610653925 346336083 /nfs/dbraw/zinc/33/60/83/346336083.db2.gz CABVMWLVEXPWCG-BDAKNGLRSA-N 1 1 278.312 1.278 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088320 346603270 /nfs/dbraw/zinc/60/32/70/346603270.db2.gz PKXZRWDELIOURI-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088320 346603272 /nfs/dbraw/zinc/60/32/72/346603272.db2.gz PKXZRWDELIOURI-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092375 346605990 /nfs/dbraw/zinc/60/59/90/346605990.db2.gz RTTQHFVVLXMRKT-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000611299034 346740841 /nfs/dbraw/zinc/74/08/41/346740841.db2.gz JDXUSGOKBSAWOM-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982012 362807223 /nfs/dbraw/zinc/80/72/23/362807223.db2.gz HARHDCHSWHMIFN-JTQLQIEISA-N 1 1 278.312 1.137 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066949042 347547924 /nfs/dbraw/zinc/54/79/24/347547924.db2.gz VUPKTIQUIRWYRE-UHFFFAOYSA-N 1 1 290.323 1.758 20 5 CDBDMO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000090794955 348157037 /nfs/dbraw/zinc/15/70/37/348157037.db2.gz DNLUGODZACHQSO-IUCAKERBSA-N 1 1 253.306 1.223 20 5 CDBDMO Nc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642360 350702085 /nfs/dbraw/zinc/70/20/85/350702085.db2.gz LECCVPZCYZSUPS-MRVPVSSYSA-N 1 1 263.301 1.221 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000292148017 198181288 /nfs/dbraw/zinc/18/12/88/198181288.db2.gz VAKBDUJCTKZXDO-SNVBAGLBSA-N 1 1 294.355 1.636 20 5 CDBDMO CN(C(=O)C[N@H+](C)C1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353484321 363364476 /nfs/dbraw/zinc/36/44/76/363364476.db2.gz JRWCYVYGABKTDY-UHFFFAOYSA-N 1 1 293.323 1.013 20 5 CDBDMO CN(C(=O)C[N@@H+](C)C1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000353484321 363364480 /nfs/dbraw/zinc/36/44/80/363364480.db2.gz JRWCYVYGABKTDY-UHFFFAOYSA-N 1 1 293.323 1.013 20 5 CDBDMO CC(C)(C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000308665423 356332600 /nfs/dbraw/zinc/33/26/00/356332600.db2.gz ULTIOJSTPBKGPL-UHFFFAOYSA-N 1 1 280.328 1.513 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H](C)O ZINC000075780896 356945062 /nfs/dbraw/zinc/94/50/62/356945062.db2.gz JPSCWENHVORLNH-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1[N+](=O)[O-] ZINC000261900852 357339553 /nfs/dbraw/zinc/33/95/53/357339553.db2.gz WPMQAIPRZJOIJU-IUCAKERBSA-N 1 1 295.343 1.080 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000040452393 357724801 /nfs/dbraw/zinc/72/48/01/357724801.db2.gz MFLCWFFNLJGERO-UHFFFAOYSA-N 1 1 265.313 1.018 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708858 357827349 /nfs/dbraw/zinc/82/73/49/357827349.db2.gz WPMKECKTHMVHAH-UFBFGSQYSA-N 1 1 278.312 1.135 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445983 358330679 /nfs/dbraw/zinc/33/06/79/358330679.db2.gz PUBGRRJEDKIZLK-VHSXEESVSA-N 1 1 281.312 1.600 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657692 358403199 /nfs/dbraw/zinc/40/31/99/358403199.db2.gz WKXFYQXIEZIHDL-WCQYABFASA-N 1 1 264.325 1.963 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1F ZINC000094774508 358662264 /nfs/dbraw/zinc/66/22/64/358662264.db2.gz MMXXSLYBOVWRHC-JTQLQIEISA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC000094774508 358662267 /nfs/dbraw/zinc/66/22/67/358662267.db2.gz MMXXSLYBOVWRHC-JTQLQIEISA-N 1 1 254.261 1.691 20 5 CDBDMO CNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290890437 358718722 /nfs/dbraw/zinc/71/87/22/358718722.db2.gz MWISZKYSYDTOSX-UHFFFAOYSA-N 1 1 292.122 1.737 20 5 CDBDMO C[N@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176211073 358737333 /nfs/dbraw/zinc/73/73/33/358737333.db2.gz HGCKZMDIXOFEJR-UHFFFAOYSA-N 1 1 274.324 1.966 20 5 CDBDMO CC(=O)c1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000450774744 359001481 /nfs/dbraw/zinc/00/14/81/359001481.db2.gz DOUFBOFMDCZKRR-ABAIWWIYSA-N 1 1 289.335 1.938 20 5 CDBDMO CNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549587 359061545 /nfs/dbraw/zinc/06/15/45/359061545.db2.gz POCWVIADALNPTP-GFCCVEGCSA-N 1 1 277.324 1.520 20 5 CDBDMO CNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549587 359061547 /nfs/dbraw/zinc/06/15/47/359061547.db2.gz POCWVIADALNPTP-GFCCVEGCSA-N 1 1 277.324 1.520 20 5 CDBDMO C[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339620066 359417871 /nfs/dbraw/zinc/41/78/71/359417871.db2.gz SUKGVWUBWSWTSP-STQMWFEESA-N 1 1 293.367 1.998 20 5 CDBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000339631213 359420647 /nfs/dbraw/zinc/42/06/47/359420647.db2.gz RMGYOOBXAILXIP-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000339631213 359420651 /nfs/dbraw/zinc/42/06/51/359420651.db2.gz RMGYOOBXAILXIP-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC(C)[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049825094 359493063 /nfs/dbraw/zinc/49/30/63/359493063.db2.gz TZUWHLRGMPXABO-UHFFFAOYSA-N 1 1 281.312 1.236 20 5 CDBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049825094 359493064 /nfs/dbraw/zinc/49/30/64/359493064.db2.gz TZUWHLRGMPXABO-UHFFFAOYSA-N 1 1 281.312 1.236 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749111 359608939 /nfs/dbraw/zinc/60/89/39/359608939.db2.gz RIAHBRRLJMLCRC-LLVKDONJSA-N 1 1 291.351 1.898 20 5 CDBDMO CC[C@@]1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000135592328 359742389 /nfs/dbraw/zinc/74/23/89/359742389.db2.gz XXVRVIZZXJMMOC-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO CC[C@@]1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000135592328 359742390 /nfs/dbraw/zinc/74/23/90/359742390.db2.gz XXVRVIZZXJMMOC-LBPRGKRZSA-N 1 1 268.317 1.292 20 5 CDBDMO Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408472213 359822588 /nfs/dbraw/zinc/82/25/88/359822588.db2.gz ZHOGTFZNLHSRHC-YPMHNXCESA-N 1 1 289.335 1.679 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000075676265 359914706 /nfs/dbraw/zinc/91/47/06/359914706.db2.gz OFLOOEOZBCVKJQ-CYBMUJFWSA-N 1 1 294.355 1.273 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176401862 360270428 /nfs/dbraw/zinc/27/04/28/360270428.db2.gz DOSAMFRXCLNPJD-SNVBAGLBSA-N 1 1 294.355 1.637 20 5 CDBDMO C[C@H]1CC[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000548124767 360279560 /nfs/dbraw/zinc/27/95/60/360279560.db2.gz RSKDHAHWVKROMB-JTQLQIEISA-N 1 1 293.323 1.372 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000548124767 360279563 /nfs/dbraw/zinc/27/95/63/360279563.db2.gz RSKDHAHWVKROMB-JTQLQIEISA-N 1 1 293.323 1.372 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178002074 189084626 /nfs/dbraw/zinc/08/46/26/189084626.db2.gz OSAZOSNNRHNMHF-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO COC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C)o1 ZINC000184662626 189391755 /nfs/dbraw/zinc/39/17/55/189391755.db2.gz XNAKCYVGQMWOLJ-LLVKDONJSA-N 1 1 294.311 1.670 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581023311 363963188 /nfs/dbraw/zinc/96/31/88/363963188.db2.gz XCWOLQDFSFWWJP-LLVKDONJSA-N 1 1 285.369 1.783 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000357236895 366852960 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CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269200559 367920071 /nfs/dbraw/zinc/92/00/71/367920071.db2.gz QZYDHAYSACIFJT-JTQLQIEISA-N 1 1 295.339 1.761 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269200559 367920077 /nfs/dbraw/zinc/92/00/77/367920077.db2.gz QZYDHAYSACIFJT-JTQLQIEISA-N 1 1 295.339 1.761 20 5 CDBDMO CC(C)[C@H]([NH3+])CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000269301980 368247653 /nfs/dbraw/zinc/24/76/53/368247653.db2.gz XTFCTQHSSLMFDF-SNVBAGLBSA-N 1 1 291.311 1.184 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCC[N@H+]1C ZINC000420630196 244295916 /nfs/dbraw/zinc/29/59/16/244295916.db2.gz DNGVKKJVRCWOJT-NSHDSACASA-N 1 1 281.360 1.650 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269635442 373243362 /nfs/dbraw/zinc/24/33/62/373243362.db2.gz HEZTZOVDPBCNQO-GFCCVEGCSA-N 1 1 268.313 1.331 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000298616564 373762017 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C[C@@H]1[C@H](C)N(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356904636 278090902 /nfs/dbraw/zinc/09/09/02/278090902.db2.gz QXCGOGKORAUZAO-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715981 280112993 /nfs/dbraw/zinc/11/29/93/280112993.db2.gz IYTDUXOKXLKQFS-UWVGGRQHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715981 280112994 /nfs/dbraw/zinc/11/29/94/280112994.db2.gz IYTDUXOKXLKQFS-UWVGGRQHSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000246095542 280253437 /nfs/dbraw/zinc/25/34/37/280253437.db2.gz HQJRFNIWKROETD-ZYHUDNBSSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956674 280397763 /nfs/dbraw/zinc/39/77/63/280397763.db2.gz QIYFIGWYJIMCSQ-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)ncc1[N+](=O)[O-] ZINC000489941470 280630497 /nfs/dbraw/zinc/63/04/97/280630497.db2.gz BQTRMEPAAMHOIF-SNVBAGLBSA-N 1 1 273.296 1.922 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000289739793 281012999 /nfs/dbraw/zinc/01/29/99/281012999.db2.gz UANMKMLWAQNSTO-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCNC(=O)N(C)C ZINC000348924722 290267330 /nfs/dbraw/zinc/26/73/30/290267330.db2.gz YGYUXRRYQVUFCQ-LLVKDONJSA-N 1 1 294.355 1.859 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCNC(=O)N(C)C ZINC000348924722 290267332 /nfs/dbraw/zinc/26/73/32/290267332.db2.gz YGYUXRRYQVUFCQ-LLVKDONJSA-N 1 1 294.355 1.859 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000579490175 324202834 /nfs/dbraw/zinc/20/28/34/324202834.db2.gz PMZHJRLVKZHUGO-FZMZJTMJSA-N 1 1 281.356 1.558 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351812608 482894134 /nfs/dbraw/zinc/89/41/34/482894134.db2.gz PUTMXXXYRHAORV-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351812608 482894144 /nfs/dbraw/zinc/89/41/44/482894144.db2.gz PUTMXXXYRHAORV-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304275607 533762747 /nfs/dbraw/zinc/76/27/47/533762747.db2.gz CQEQICZXJSFTCV-BZPMIXESSA-N 1 1 296.371 1.663 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)NC1CC1 ZINC000337873940 521280969 /nfs/dbraw/zinc/28/09/69/521280969.db2.gz PLBOJDLVPIZSNE-UHFFFAOYSA-N 1 1 293.323 1.362 20 5 CDBDMO COC[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438760 522600542 /nfs/dbraw/zinc/60/05/42/522600542.db2.gz FMGHKPPUDMGZHS-WDEREUQCSA-N 1 1 280.328 1.511 20 5 CDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420976141 536394412 /nfs/dbraw/zinc/39/44/12/536394412.db2.gz OUSOHTFPKJDIFA-VIFPVBQESA-N 1 1 297.742 1.816 20 5 CDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000420976141 536394415 /nfs/dbraw/zinc/39/44/15/536394415.db2.gz OUSOHTFPKJDIFA-VIFPVBQESA-N 1 1 297.742 1.816 20 5 CDBDMO COCC1([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761102429 574932950 /nfs/dbraw/zinc/93/29/50/574932950.db2.gz RGUQXNANZIUYCR-ZDUSSCGKSA-N 1 1 280.324 1.739 20 5 CDBDMO CCOc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000755072416 576929356 /nfs/dbraw/zinc/92/93/56/576929356.db2.gz OALDSFHUSSNKEM-SWLSCSKDSA-N 1 1 292.335 1.808 20 5 CDBDMO CCOc1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000755072416 576929358 /nfs/dbraw/zinc/92/93/58/576929358.db2.gz OALDSFHUSSNKEM-SWLSCSKDSA-N 1 1 292.335 1.808 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000891452369 617416399 /nfs/dbraw/zinc/41/63/99/617416399.db2.gz WXYRKWDDFCGZGD-JTQLQIEISA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000891452369 617416400 /nfs/dbraw/zinc/41/64/00/617416400.db2.gz WXYRKWDDFCGZGD-JTQLQIEISA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@H+](CCO)C2CC2)c1[N+](=O)[O-] ZINC000891618935 617507671 /nfs/dbraw/zinc/50/76/71/617507671.db2.gz VSOMGZNTFOJPFT-UHFFFAOYSA-N 1 1 282.296 1.266 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](CCO)C2CC2)c1[N+](=O)[O-] ZINC000891618935 617507673 /nfs/dbraw/zinc/50/76/73/617507673.db2.gz VSOMGZNTFOJPFT-UHFFFAOYSA-N 1 1 282.296 1.266 20 5 CDBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930750842 617531182 /nfs/dbraw/zinc/53/11/82/617531182.db2.gz MQNXPBFKLQLZRB-QWRGUYRKSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930750842 617531185 /nfs/dbraw/zinc/53/11/85/617531185.db2.gz MQNXPBFKLQLZRB-QWRGUYRKSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930754385 617531774 /nfs/dbraw/zinc/53/17/74/617531774.db2.gz UQYFAKHDJOGDQQ-WDEREUQCSA-N 1 1 272.345 1.705 20 5 CDBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000930754385 617531778 /nfs/dbraw/zinc/53/17/78/617531778.db2.gz UQYFAKHDJOGDQQ-WDEREUQCSA-N 1 1 272.345 1.705 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000892674798 617581403 /nfs/dbraw/zinc/58/14/03/617581403.db2.gz YQHOJXMRRHGCJI-NXEZZACHSA-N 1 1 280.328 1.893 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c([N+](=O)[O-])cnn1C ZINC000892697953 617600133 /nfs/dbraw/zinc/60/01/33/617600133.db2.gz ZHEYKSUUFVKFKK-NSHDSACASA-N 1 1 281.360 1.639 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000905058446 626608464 /nfs/dbraw/zinc/60/84/64/626608464.db2.gz GZOHBUAHFXHREE-STQMWFEESA-N 1 1 268.288 1.912 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330336 1162338597 /nfs/dbraw/zinc/33/85/97/1162338597.db2.gz ZKNSPPVXKZEQEO-FIXISWKDSA-N 1 1 294.351 1.847 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001167358379 1158636882 /nfs/dbraw/zinc/63/68/82/1158636882.db2.gz PKMSBNKZWWIRRV-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789505345 1162091591 /nfs/dbraw/zinc/09/15/91/1162091591.db2.gz KUNKFKDVGMFFCK-MNOVXSKESA-N 1 1 266.301 1.392 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789505345 1162091594 /nfs/dbraw/zinc/09/15/94/1162091594.db2.gz KUNKFKDVGMFFCK-MNOVXSKESA-N 1 1 266.301 1.392 20 5 CDBDMO Cc1nc(Cl)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000234327007 1178217025 /nfs/dbraw/zinc/21/70/25/1178217025.db2.gz QABSTMCLVVHZEI-ZETCQYMHSA-N 1 1 271.708 1.463 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC000886346889 728772152 /nfs/dbraw/zinc/77/21/52/728772152.db2.gz UDOWXEDULMEZKM-DTORHVGOSA-N 1 1 258.281 1.923 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4C[C@@H]4C3)nc2c1 ZINC000886346889 728772155 /nfs/dbraw/zinc/77/21/55/728772155.db2.gz UDOWXEDULMEZKM-DTORHVGOSA-N 1 1 258.281 1.923 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783289 729364884 /nfs/dbraw/zinc/36/48/84/729364884.db2.gz ASQGUNFSDYTJGB-SSDOTTSWSA-N 1 1 269.330 1.153 20 5 CDBDMO CNC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000851843788 728907302 /nfs/dbraw/zinc/90/73/02/728907302.db2.gz JMFPQHLYTOTKMX-UHFFFAOYSA-N 1 1 295.314 1.882 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)O1 ZINC000852037796 728952822 /nfs/dbraw/zinc/95/28/22/728952822.db2.gz ANOAPEWVOBOZNS-GFCCVEGCSA-N 1 1 278.308 1.775 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591973 728433954 /nfs/dbraw/zinc/43/39/54/728433954.db2.gz NIEDOYXQYZVSRP-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933970367 728449487 /nfs/dbraw/zinc/44/94/87/728449487.db2.gz IBNGLCKAONNESN-LSDHHAIUSA-N 1 1 292.335 1.627 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933970367 728449489 /nfs/dbraw/zinc/44/94/89/728449489.db2.gz IBNGLCKAONNESN-LSDHHAIUSA-N 1 1 292.335 1.627 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886161983 729129963 /nfs/dbraw/zinc/12/99/63/729129963.db2.gz BTQVFXSFLMSIDK-ZDUSSCGKSA-N 1 1 265.313 1.727 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000885988653 729152665 /nfs/dbraw/zinc/15/26/65/729152665.db2.gz LNUSOEUAGFRAPI-NSHDSACASA-N 1 1 265.313 1.584 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000885988653 729152670 /nfs/dbraw/zinc/15/26/70/729152670.db2.gz LNUSOEUAGFRAPI-NSHDSACASA-N 1 1 265.313 1.584 20 5 CDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Br)cn1 ZINC000930287517 729152762 /nfs/dbraw/zinc/15/27/62/729152762.db2.gz MMASDHXEJJPDPB-ZETCQYMHSA-N 1 1 274.118 1.771 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582898 729224635 /nfs/dbraw/zinc/22/46/35/729224635.db2.gz WDSGAUGDFHLAFE-FZMZJTMJSA-N 1 1 280.324 1.739 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000929873401 729226607 /nfs/dbraw/zinc/22/66/07/729226607.db2.gz TYVUIHUBGQFDLO-UHFFFAOYSA-N 1 1 277.324 1.287 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(C(=O)NC2CC2)cc1 ZINC000929873401 729226610 /nfs/dbraw/zinc/22/66/10/729226610.db2.gz TYVUIHUBGQFDLO-UHFFFAOYSA-N 1 1 277.324 1.287 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccon1 ZINC000819129276 729269482 /nfs/dbraw/zinc/26/94/82/729269482.db2.gz FIGIYJVETCOHGQ-LLVKDONJSA-N 1 1 293.279 1.112 20 5 CDBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886142761 729305765 /nfs/dbraw/zinc/30/57/65/729305765.db2.gz KFTXZSVMIZHZIF-LBPRGKRZSA-N 1 1 267.329 1.829 20 5 CDBDMO COCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275121 729379292 /nfs/dbraw/zinc/37/92/92/729379292.db2.gz GIBXWRFUOPNVLT-LBPRGKRZSA-N 1 1 254.286 1.206 20 5 CDBDMO CCc1[nH+]ccn1Cc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642637 729460624 /nfs/dbraw/zinc/46/06/24/729460624.db2.gz TVEPVBOUIMCGLW-UHFFFAOYSA-N 1 1 278.316 1.141 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000828987444 729707371 /nfs/dbraw/zinc/70/73/71/729707371.db2.gz DPWKRTKROWGBOG-SKDRFNHKSA-N 1 1 265.288 1.874 20 5 CDBDMO C[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870860051 729716224 /nfs/dbraw/zinc/71/62/24/729716224.db2.gz NPFKPPYVUGZYDH-IINYFYTJSA-N 1 1 293.323 1.016 20 5 CDBDMO C[N@@H+](CCC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796596089 729802691 /nfs/dbraw/zinc/80/26/91/729802691.db2.gz PIQNXMCTAVCSHX-UHFFFAOYSA-N 1 1 271.704 1.555 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000793391239 729805264 /nfs/dbraw/zinc/80/52/64/729805264.db2.gz TXXNDFRSAKJYEU-CYBMUJFWSA-N 1 1 297.742 1.946 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801912289 729842698 /nfs/dbraw/zinc/84/26/98/729842698.db2.gz MFPDVCQCIXNUQT-QMMMGPOBSA-N 1 1 296.302 1.092 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801912289 729842700 /nfs/dbraw/zinc/84/27/00/729842700.db2.gz MFPDVCQCIXNUQT-QMMMGPOBSA-N 1 1 296.302 1.092 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000818972465 729846058 /nfs/dbraw/zinc/84/60/58/729846058.db2.gz WCDUYLKDMOQELY-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000818972465 729846059 /nfs/dbraw/zinc/84/60/59/729846059.db2.gz WCDUYLKDMOQELY-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO CN(CC1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867944892 729885827 /nfs/dbraw/zinc/88/58/27/729885827.db2.gz KSSHIHHXZPMZBC-CQSZACIVSA-N 1 1 277.324 1.637 20 5 CDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000933220335 729954294 /nfs/dbraw/zinc/95/42/94/729954294.db2.gz BHPOGAMVRMVHKQ-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000933220335 729954295 /nfs/dbraw/zinc/95/42/95/729954295.db2.gz BHPOGAMVRMVHKQ-CYBMUJFWSA-N 1 1 277.324 1.695 20 5 CDBDMO COCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953594 729971111 /nfs/dbraw/zinc/97/11/11/729971111.db2.gz HZRAHKKWGWMWKN-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO COCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777953594 729971112 /nfs/dbraw/zinc/97/11/12/729971112.db2.gz HZRAHKKWGWMWKN-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO C[N@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000173407612 729980068 /nfs/dbraw/zinc/98/00/68/729980068.db2.gz VEGZDHPEFUGDBZ-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO C[N@@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000173407612 729980069 /nfs/dbraw/zinc/98/00/69/729980069.db2.gz VEGZDHPEFUGDBZ-UHFFFAOYSA-N 1 1 266.326 1.985 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581269 729981173 /nfs/dbraw/zinc/98/11/73/729981173.db2.gz GIAJPMIESNXSQR-ZIAGYGMSSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000784394727 730013537 /nfs/dbraw/zinc/01/35/37/730013537.db2.gz VWAKZUTTXRDQKJ-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001031508036 730314149 /nfs/dbraw/zinc/31/41/49/730314149.db2.gz BJSRCSBQEHRWTM-UHFFFAOYSA-N 1 1 289.335 1.553 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCNC(=O)C1 ZINC001173221264 912304076 /nfs/dbraw/zinc/30/40/76/912304076.db2.gz GWGBGYNRKJHOBZ-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCNC(=O)C1 ZINC001173221264 912304087 /nfs/dbraw/zinc/30/40/87/912304087.db2.gz GWGBGYNRKJHOBZ-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167785667 900674398 /nfs/dbraw/zinc/67/43/98/900674398.db2.gz YGPGUZPNMFLBLN-UHFFFAOYSA-N 1 1 293.258 1.265 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC000710629445 903346425 /nfs/dbraw/zinc/34/64/25/903346425.db2.gz BMRTUWBFSSWTGM-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO O=C(NCC[NH2+]CCC1=CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936271 909929646 /nfs/dbraw/zinc/92/96/46/909929646.db2.gz DOMIBZJHNNQPIC-CHWSQXEVSA-N 1 1 281.356 1.248 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117722 911160800 /nfs/dbraw/zinc/16/08/00/911160800.db2.gz MIPPPFGHLIEQOV-AAEUAGOBSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117722 911160820 /nfs/dbraw/zinc/16/08/20/911160820.db2.gz MIPPPFGHLIEQOV-AAEUAGOBSA-N 1 1 284.287 1.052 20 5 CDBDMO O=C(NCCCCCC[NH2+]CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458486 915448065 /nfs/dbraw/zinc/44/80/65/915448065.db2.gz JCEXJKUZBRBJFA-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000776272274 926531854 /nfs/dbraw/zinc/53/18/54/926531854.db2.gz SJMHCOUJQDWWAP-SMDDNHRTSA-N 1 1 280.324 1.333 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC001168956797 927578220 /nfs/dbraw/zinc/57/82/20/927578220.db2.gz FLTSJSAYLWNBFM-QWHCGFSZSA-N 1 1 255.362 1.507 20 5 CDBDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169010247 927613299 /nfs/dbraw/zinc/61/32/99/927613299.db2.gz BSRCZECEYYJWGV-LPWJVIDDSA-N 1 1 284.356 1.705 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]1(C)O ZINC001169010916 927617612 /nfs/dbraw/zinc/61/76/12/927617612.db2.gz GEAZCCMZVDQICX-FVCCEPFGSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)C1 ZINC001169036053 927643457 /nfs/dbraw/zinc/64/34/57/927643457.db2.gz FFGOVBHBFLDOEO-GLBINXAQSA-N 1 1 266.341 1.541 20 5 CDBDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035788 927644179 /nfs/dbraw/zinc/64/41/79/927644179.db2.gz CHTKHZXAXONUSS-LOWDOPEQSA-N 1 1 286.372 1.951 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169037035 927646278 /nfs/dbraw/zinc/64/62/78/927646278.db2.gz HYMCIFAOVXRROA-JHJVBQTASA-N 1 1 256.346 1.931 20 5 CDBDMO CN1CC[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169038617 927651556 /nfs/dbraw/zinc/65/15/56/927651556.db2.gz JJCYJMOHTPZEIR-MROQNXINSA-N 1 1 253.346 1.068 20 5 CDBDMO CCCNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026520 927665770 /nfs/dbraw/zinc/66/57/70/927665770.db2.gz LYJSBNKOXXHGII-MCIONIFRSA-N 1 1 297.399 1.813 20 5 CDBDMO Cn1cnc2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047606 927666282 /nfs/dbraw/zinc/66/62/82/927666282.db2.gz RPBWWCWUXTYCLJ-GHMZBOCLSA-N 1 1 264.329 1.224 20 5 CDBDMO CC(C)N1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053555 927673043 /nfs/dbraw/zinc/67/30/43/927673043.db2.gz IOWWBRKZZGARIM-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053555 927673052 /nfs/dbraw/zinc/67/30/52/927673052.db2.gz IOWWBRKZZGARIM-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO CC(C)[N@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1C ZINC001169053555 927673054 /nfs/dbraw/zinc/67/30/54/927673054.db2.gz IOWWBRKZZGARIM-BFHYXJOUSA-N 1 1 269.389 1.846 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776582899 927748746 /nfs/dbraw/zinc/74/87/46/927748746.db2.gz WDSGAUGDFHLAFE-RISCZKNCSA-N 1 1 280.324 1.739 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858812569 928922007 /nfs/dbraw/zinc/92/20/07/928922007.db2.gz RIGRSIVSWSZGIV-GFCCVEGCSA-N 1 1 293.323 1.276 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812569 928922018 /nfs/dbraw/zinc/92/20/18/928922018.db2.gz RIGRSIVSWSZGIV-GFCCVEGCSA-N 1 1 293.323 1.276 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001116186018 937435374 /nfs/dbraw/zinc/43/53/74/937435374.db2.gz ISQNRAQSHJJHLE-UHFFFAOYSA-N 1 1 290.323 1.238 20 5 CDBDMO Cc1ccc2c(ccnc2N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170897664 930693782 /nfs/dbraw/zinc/69/37/82/930693782.db2.gz IOLUDYIDKDRASV-GFCCVEGCSA-N 1 1 289.339 1.887 20 5 CDBDMO [NH3+]CCC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886841689 930973998 /nfs/dbraw/zinc/97/39/98/930973998.db2.gz SJLAIOMPBNCYLB-UHFFFAOYSA-N 1 1 264.329 1.551 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557718 933157227 /nfs/dbraw/zinc/15/72/27/933157227.db2.gz QGYCDTADGOONBW-LBPRGKRZSA-N 1 1 291.351 1.954 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557718 933157230 /nfs/dbraw/zinc/15/72/30/933157230.db2.gz QGYCDTADGOONBW-LBPRGKRZSA-N 1 1 291.351 1.954 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000930764253 933444860 /nfs/dbraw/zinc/44/48/60/933444860.db2.gz DPWJZRIUNTUAHI-GFCCVEGCSA-N 1 1 254.330 1.544 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884364 937844956 /nfs/dbraw/zinc/84/49/56/937844956.db2.gz NNIXZZFEMRPFNE-SNVBAGLBSA-N 1 1 290.327 1.534 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001156658373 938402236 /nfs/dbraw/zinc/40/22/36/938402236.db2.gz HUJVBIVBNIUGKZ-GFCCVEGCSA-N 1 1 258.281 1.899 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157692071 938533103 /nfs/dbraw/zinc/53/31/03/938533103.db2.gz NKCVJSCQPNXUHF-PHIMTYICSA-N 1 1 291.355 1.350 20 5 CDBDMO O=C(NCCC[NH2+]CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775285 938544063 /nfs/dbraw/zinc/54/40/63/938544063.db2.gz NNYGWHAZLZKBHB-CHWSQXEVSA-N 1 1 283.372 1.328 20 5 CDBDMO CC(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494362 939479071 /nfs/dbraw/zinc/47/90/71/939479071.db2.gz GYQFXJJOVHABKA-VXGBXAGGSA-N 1 1 283.372 1.184 20 5 CDBDMO CC(C)[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC001165199832 939523531 /nfs/dbraw/zinc/52/35/31/939523531.db2.gz OOVCFRSJCKKPIK-SNVBAGLBSA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001165384938 939554166 /nfs/dbraw/zinc/55/41/66/939554166.db2.gz LQOUBDWTPRRATK-UHFFFAOYSA-N 1 1 273.296 1.823 20 5 CDBDMO CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1COC1 ZINC001166943651 939655794 /nfs/dbraw/zinc/65/57/94/939655794.db2.gz SCVQRIVOLPAOMK-AATRIKPKSA-N 1 1 292.339 1.747 20 5 CDBDMO Cc1c(COC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223329838 941670686 /nfs/dbraw/zinc/67/06/86/941670686.db2.gz AJNNFTMEXZSDEW-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO Cc1c(COC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223329838 941670687 /nfs/dbraw/zinc/67/06/87/941670687.db2.gz AJNNFTMEXZSDEW-ZDUSSCGKSA-N 1 1 280.324 1.750 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])CC1 ZINC001225667042 941897655 /nfs/dbraw/zinc/89/76/55/941897655.db2.gz ORMNVKXRTHKURM-SECBINFHSA-N 1 1 267.285 1.559 20 5 CDBDMO Cc1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])n1 ZINC001227224928 942153643 /nfs/dbraw/zinc/15/36/43/942153643.db2.gz WLSLLGDBAGAMRO-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595064 942652017 /nfs/dbraw/zinc/65/20/17/942652017.db2.gz ITHKWFQOJLFSQG-SNVBAGLBSA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@@H+]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595064 942652021 /nfs/dbraw/zinc/65/20/21/942652021.db2.gz ITHKWFQOJLFSQG-SNVBAGLBSA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230595064 942652023 /nfs/dbraw/zinc/65/20/23/942652023.db2.gz ITHKWFQOJLFSQG-SNVBAGLBSA-N 1 1 276.296 1.944 20 5 CDBDMO CC[N@@H+]1CC[C@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231259276 942835804 /nfs/dbraw/zinc/83/58/04/942835804.db2.gz IOJBVCZZJYZRII-VIFPVBQESA-N 1 1 267.285 1.477 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231259276 942835810 /nfs/dbraw/zinc/83/58/10/942835810.db2.gz IOJBVCZZJYZRII-VIFPVBQESA-N 1 1 267.285 1.477 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573766 943620257 /nfs/dbraw/zinc/62/02/57/943620257.db2.gz CALJBQIBMDWNDQ-SECBINFHSA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001254552257 947520847 /nfs/dbraw/zinc/52/08/47/947520847.db2.gz JNDDNKONRFOAED-OSAQELSMSA-N 1 1 294.351 1.201 20 5 CDBDMO CC[N@@H+](CCC(N)=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254561301 947523905 /nfs/dbraw/zinc/52/39/05/947523905.db2.gz GFADASFTXZFHRQ-LLVKDONJSA-N 1 1 279.340 1.723 20 5 CDBDMO NC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599935 947548570 /nfs/dbraw/zinc/54/85/70/947548570.db2.gz MZODYEBBAHMOLM-KGLIPLIRSA-N 1 1 289.335 1.402 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCNC2)c([N+](=O)[O-])c1 ZINC001246359733 948131180 /nfs/dbraw/zinc/13/11/80/948131180.db2.gz VVQFIRUSHNOWQL-DGCLKSJQSA-N 1 1 293.367 1.876 20 5 CDBDMO C[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247939342 948873210 /nfs/dbraw/zinc/87/32/10/948873210.db2.gz QVHWWBRCXALPHQ-SCSAIBSYSA-N 1 1 253.193 1.199 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780090 956440403 /nfs/dbraw/zinc/44/04/03/956440403.db2.gz DNWFKRJTLQZSGM-CMPLNLGQSA-N 1 1 268.317 1.148 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001338296173 961734417 /nfs/dbraw/zinc/73/44/17/961734417.db2.gz YGRUDFPLRAVWPJ-ZDUSSCGKSA-N 1 1 277.324 1.809 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC001339611631 962453048 /nfs/dbraw/zinc/45/30/48/962453048.db2.gz ZTBLBAJKSDZFRV-DTWKUNHWSA-N 1 1 277.328 1.609 20 5 CDBDMO [NH3+][C@@H](CC(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC001345958029 964870711 /nfs/dbraw/zinc/87/07/11/964870711.db2.gz REMDORYJOYNMOY-QMMMGPOBSA-N 1 1 299.237 1.619 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001353272440 967843472 /nfs/dbraw/zinc/84/34/72/967843472.db2.gz IKQDIKAMGRUMOE-HNNXBMFYSA-N 1 1 295.383 1.948 20 5 CDBDMO CCNC(=O)[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100941 342464018 /nfs/dbraw/zinc/46/40/18/342464018.db2.gz QGUWXKZVANMLFG-VIFPVBQESA-N 1 1 288.307 1.501 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[C@@H](O)C3)c2c1 ZINC000601202807 342492710 /nfs/dbraw/zinc/49/27/10/342492710.db2.gz IZYFCKWBRHKODF-JGZJWPJOSA-N 1 1 273.292 1.748 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC=CCC2)c1 ZINC000611517636 346809207 /nfs/dbraw/zinc/80/92/07/346809207.db2.gz ZUABYRBKLLZZLZ-ZDUSSCGKSA-N 1 1 278.308 1.596 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533819052 282152317 /nfs/dbraw/zinc/15/23/17/282152317.db2.gz JYHDANNJEFKNFR-GFCCVEGCSA-N 1 1 287.323 1.927 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533819052 282152322 /nfs/dbraw/zinc/15/23/22/282152322.db2.gz JYHDANNJEFKNFR-GFCCVEGCSA-N 1 1 287.323 1.927 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000609382506 342263671 /nfs/dbraw/zinc/26/36/71/342263671.db2.gz BULIUTQMKXLKBW-LBPRGKRZSA-N 1 1 289.335 1.809 20 5 CDBDMO CCn1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000616785404 342268712 /nfs/dbraw/zinc/26/87/12/342268712.db2.gz RBQPHCXOUNXIBU-UHFFFAOYSA-N 1 1 277.328 1.745 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714956 342946798 /nfs/dbraw/zinc/94/67/98/342946798.db2.gz VAASIEGSDHPPNG-UHTWSYAYSA-N 1 1 280.328 1.027 20 5 CDBDMO Cc1noc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC000595299633 343027968 /nfs/dbraw/zinc/02/79/68/343027968.db2.gz WTRICWWMKKGHFU-SNVBAGLBSA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC000595299633 343027969 /nfs/dbraw/zinc/02/79/69/343027969.db2.gz WTRICWWMKKGHFU-SNVBAGLBSA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[NH2+][C@H](CO)C(C)(C)C)c1[N+](=O)[O-] ZINC000595430897 343058514 /nfs/dbraw/zinc/05/85/14/343058514.db2.gz PUWXBHWGHUWXDQ-SECBINFHSA-N 1 1 257.290 1.388 20 5 CDBDMO C[C@@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995680 342332880 /nfs/dbraw/zinc/33/28/80/342332880.db2.gz MNYBDSIJRYKGDC-LBPRGKRZSA-N 1 1 279.340 1.975 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCCO)C1CCC1 ZINC000595599555 343115043 /nfs/dbraw/zinc/11/50/43/343115043.db2.gz YHDWGTJMPNLSBI-UHFFFAOYSA-N 1 1 294.351 1.958 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330581133 365723160 /nfs/dbraw/zinc/72/31/60/365723160.db2.gz QMXSGWLQFOPAIF-RYUDHWBXSA-N 1 1 281.360 1.206 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706020 343127430 /nfs/dbraw/zinc/12/74/30/343127430.db2.gz WPCLWWNECZCVKN-VXGBXAGGSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170206 343258587 /nfs/dbraw/zinc/25/85/87/343258587.db2.gz XYTXTHKKQFDEOK-QWRGUYRKSA-N 1 1 292.339 1.616 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344329 342422719 /nfs/dbraw/zinc/42/27/19/342422719.db2.gz ODLIWGMKWJGJKU-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344329 342422720 /nfs/dbraw/zinc/42/27/20/342422720.db2.gz ODLIWGMKWJGJKU-RNCFNFMXSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1nn(C)c(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000264968135 282270408 /nfs/dbraw/zinc/27/04/08/282270408.db2.gz YJBCGIALBCUCOB-UHFFFAOYSA-N 1 1 290.327 1.744 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597859542 343648475 /nfs/dbraw/zinc/64/84/75/343648475.db2.gz FGKKIULRTHSUMV-VIFPVBQESA-N 1 1 295.343 1.168 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342584 343770936 /nfs/dbraw/zinc/77/09/36/343770936.db2.gz LKIJVWFVWIBRQI-LLVKDONJSA-N 1 1 277.324 1.809 20 5 CDBDMO Cc1cc(NC[C@@H]2CCCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000599138661 343959541 /nfs/dbraw/zinc/95/95/41/343959541.db2.gz ITZOYDOIYGVLTG-LBPRGKRZSA-N 1 1 278.356 1.864 20 5 CDBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000599140579 343959973 /nfs/dbraw/zinc/95/99/73/343959973.db2.gz WBZSUBUIKDDPET-LLVKDONJSA-N 1 1 264.329 1.556 20 5 CDBDMO CC[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228431 362541438 /nfs/dbraw/zinc/54/14/38/362541438.db2.gz AQGXWWRTVFRDKB-SNVBAGLBSA-N 1 1 266.345 1.779 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609631208 345983847 /nfs/dbraw/zinc/98/38/47/345983847.db2.gz OSKMRBVKTAAAPV-LLVKDONJSA-N 1 1 279.344 1.533 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000610276481 346240282 /nfs/dbraw/zinc/24/02/82/346240282.db2.gz ZGDPEABPKFPENO-WDEREUQCSA-N 1 1 297.380 1.692 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344411429 362752827 /nfs/dbraw/zinc/75/28/27/362752827.db2.gz CKKUZAMPBGTXOC-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344411429 362752834 /nfs/dbraw/zinc/75/28/34/362752834.db2.gz CKKUZAMPBGTXOC-VIFPVBQESA-N 1 1 281.287 1.510 20 5 CDBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611084780 346604149 /nfs/dbraw/zinc/60/41/49/346604149.db2.gz SPVADFRGZKQDSG-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266840502 136602352 /nfs/dbraw/zinc/60/23/52/136602352.db2.gz MCPSFNIYCKGVEA-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO C[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000066924467 347546882 /nfs/dbraw/zinc/54/68/82/347546882.db2.gz WIDZCOFURHBZIT-UHFFFAOYSA-N 1 1 293.323 1.184 20 5 CDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000063761981 348932084 /nfs/dbraw/zinc/93/20/84/348932084.db2.gz HJOJGQOXDKNCEG-UHFFFAOYSA-N 1 1 294.355 1.465 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105822116 186073872 /nfs/dbraw/zinc/07/38/72/186073872.db2.gz JEPNYSKEITYARJ-QWHCGFSZSA-N 1 1 293.367 1.482 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000078022580 350768596 /nfs/dbraw/zinc/76/85/96/350768596.db2.gz VJOGDWHNLMENQE-SNVBAGLBSA-N 1 1 267.333 1.105 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000078941212 350879952 /nfs/dbraw/zinc/87/99/52/350879952.db2.gz TTXFKZDVGDOVLS-CYBMUJFWSA-N 1 1 292.339 1.291 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000291613268 198049619 /nfs/dbraw/zinc/04/96/19/198049619.db2.gz STOCPGHADLYYTH-SECBINFHSA-N 1 1 297.359 1.477 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122637466 187042736 /nfs/dbraw/zinc/04/27/36/187042736.db2.gz QKUFJNDDBFKQDQ-ZDUSSCGKSA-N 1 1 291.351 1.956 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122637466 187042737 /nfs/dbraw/zinc/04/27/37/187042737.db2.gz QKUFJNDDBFKQDQ-ZDUSSCGKSA-N 1 1 291.351 1.956 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154061251 188120403 /nfs/dbraw/zinc/12/04/03/188120403.db2.gz WVDFOLUPALWUBH-UHFFFAOYSA-N 1 1 266.301 1.046 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154061251 188120404 /nfs/dbraw/zinc/12/04/04/188120404.db2.gz WVDFOLUPALWUBH-UHFFFAOYSA-N 1 1 266.301 1.046 20 5 CDBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291713 363401977 /nfs/dbraw/zinc/40/19/77/363401977.db2.gz FFQOTLMDIJZVBX-WFASDCNBSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291713 363401978 /nfs/dbraw/zinc/40/19/78/363401978.db2.gz FFQOTLMDIJZVBX-WFASDCNBSA-N 1 1 292.335 1.975 20 5 CDBDMO CN1CC[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286179001 356227107 /nfs/dbraw/zinc/22/71/07/356227107.db2.gz QBTYYANWKLGANF-UHFFFAOYSA-N 1 1 296.346 1.783 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286268381 356240102 /nfs/dbraw/zinc/24/01/02/356240102.db2.gz BHMVKQFJSHETLN-DOMZBBRYSA-N 1 1 293.367 1.654 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000273714809 192275729 /nfs/dbraw/zinc/27/57/29/192275729.db2.gz FURAZZGSACLHPO-VIFPVBQESA-N 1 1 263.301 1.447 20 5 CDBDMO CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866327 357112218 /nfs/dbraw/zinc/11/22/18/357112218.db2.gz RHQKPMHUIIVXKU-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000290514162 357210384 /nfs/dbraw/zinc/21/03/84/357210384.db2.gz BSWYXNAXIJBTJT-LLVKDONJSA-N 1 1 284.287 1.568 20 5 CDBDMO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072712340 357891564 /nfs/dbraw/zinc/89/15/64/357891564.db2.gz FKFGRDKKPIXVPZ-QWRGUYRKSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072712340 357891570 /nfs/dbraw/zinc/89/15/70/357891570.db2.gz FKFGRDKKPIXVPZ-QWRGUYRKSA-N 1 1 295.339 1.625 20 5 CDBDMO COC(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000188962767 357956934 /nfs/dbraw/zinc/95/69/34/357956934.db2.gz CJQMHEPUJCXWAG-UHFFFAOYSA-N 1 1 295.339 1.336 20 5 CDBDMO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000287186538 358143468 /nfs/dbraw/zinc/14/34/68/358143468.db2.gz KRHKWQFCPPKPQY-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO CN(CC[N@H+]1CCCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000361290743 358149587 /nfs/dbraw/zinc/14/95/87/358149587.db2.gz UAONZKPXFYXVQS-UHFFFAOYSA-N 1 1 293.367 1.749 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361385223 358168609 /nfs/dbraw/zinc/16/86/09/358168609.db2.gz ONIARZPFGUBLFB-VIFPVBQESA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361385223 358168613 /nfs/dbraw/zinc/16/86/13/358168613.db2.gz ONIARZPFGUBLFB-VIFPVBQESA-N 1 1 254.261 1.955 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)C1 ZINC000361372398 358171562 /nfs/dbraw/zinc/17/15/62/358171562.db2.gz NIWPAEJTLBIBSR-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000361372398 358171566 /nfs/dbraw/zinc/17/15/66/358171566.db2.gz NIWPAEJTLBIBSR-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445975 358330780 /nfs/dbraw/zinc/33/07/80/358330780.db2.gz PUBGRRJEDKIZLK-NXEZZACHSA-N 1 1 281.312 1.600 20 5 CDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427042 358581780 /nfs/dbraw/zinc/58/17/80/358581780.db2.gz PHEQHMGNAMQORD-BXUZGUMPSA-N 1 1 282.340 1.721 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)CC ZINC000288013667 359145718 /nfs/dbraw/zinc/14/57/18/359145718.db2.gz BPRWPZRIQLLKJU-UHFFFAOYSA-N 1 1 255.322 1.483 20 5 CDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000339360492 359384363 /nfs/dbraw/zinc/38/43/63/359384363.db2.gz RMMJZKSLMHFHOG-SECBINFHSA-N 1 1 276.300 1.056 20 5 CDBDMO C[C@H](CO)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289491379 359583393 /nfs/dbraw/zinc/58/33/93/359583393.db2.gz RTOZNFQEENFOJP-OKPNEXGHSA-N 1 1 250.298 1.921 20 5 CDBDMO CCOc1cccc(NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000162687028 359914261 /nfs/dbraw/zinc/91/42/61/359914261.db2.gz HVJOWXIDXFOURB-UHFFFAOYSA-N 1 1 275.255 1.999 20 5 CDBDMO Cc1c(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000487309908 359945483 /nfs/dbraw/zinc/94/54/83/359945483.db2.gz PHFUNDKCPXMMNQ-MFKMUULPSA-N 1 1 291.351 1.717 20 5 CDBDMO CN1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562478262 360012103 /nfs/dbraw/zinc/01/21/03/360012103.db2.gz ZFBFHCKPHDZJCR-GFCCVEGCSA-N 1 1 277.324 1.647 20 5 CDBDMO CN1C[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000562478262 360012104 /nfs/dbraw/zinc/01/21/04/360012104.db2.gz ZFBFHCKPHDZJCR-GFCCVEGCSA-N 1 1 277.324 1.647 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000408343087 360681588 /nfs/dbraw/zinc/68/15/88/360681588.db2.gz NGBNGWMZGNVFHK-WDEREUQCSA-N 1 1 279.344 1.249 20 5 CDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000053184705 361183264 /nfs/dbraw/zinc/18/32/64/361183264.db2.gz IUKYPUQFDFUMBJ-UHFFFAOYSA-N 1 1 289.335 1.826 20 5 CDBDMO CN(C(=O)C[N@H+](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000285582329 239136114 /nfs/dbraw/zinc/13/61/14/239136114.db2.gz UBRMTWMKNBRYDP-UHFFFAOYSA-N 1 1 293.323 1.014 20 5 CDBDMO CN(C(=O)C[N@@H+](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000285582329 239136121 /nfs/dbraw/zinc/13/61/21/239136121.db2.gz UBRMTWMKNBRYDP-UHFFFAOYSA-N 1 1 293.323 1.014 20 5 CDBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237442848 363998834 /nfs/dbraw/zinc/99/88/34/363998834.db2.gz NKTPOLYIUUXNRP-ZYHUDNBSSA-N 1 1 293.323 1.069 20 5 CDBDMO Cn1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000345853410 364043017 /nfs/dbraw/zinc/04/30/17/364043017.db2.gz OCEZZRUJEDZKBQ-GHMZBOCLSA-N 1 1 292.339 1.290 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561561 364889028 /nfs/dbraw/zinc/88/90/28/364889028.db2.gz LTADVVNXZNBPPC-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597984 366908468 /nfs/dbraw/zinc/90/84/68/366908468.db2.gz VNFZSEOHKXXIPA-VXGBXAGGSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270597984 366908475 /nfs/dbraw/zinc/90/84/75/366908475.db2.gz VNFZSEOHKXXIPA-VXGBXAGGSA-N 1 1 295.339 1.256 20 5 CDBDMO C[NH2+]Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000414505873 241237820 /nfs/dbraw/zinc/23/78/20/241237820.db2.gz VNSIIXVCEZQBLT-UHFFFAOYSA-N 1 1 289.295 1.939 20 5 CDBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC000348369736 367231355 /nfs/dbraw/zinc/23/13/55/367231355.db2.gz VMACPWDIZVTZQT-UHFFFAOYSA-N 1 1 287.323 1.948 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000352016233 367337204 /nfs/dbraw/zinc/33/72/04/367337204.db2.gz VZMWCRVYBDYBHL-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000352016233 367337211 /nfs/dbraw/zinc/33/72/11/367337211.db2.gz VZMWCRVYBDYBHL-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177016 367846557 /nfs/dbraw/zinc/84/65/57/367846557.db2.gz ISQZXKIEJCULGQ-ZYHUDNBSSA-N 1 1 292.339 1.479 20 5 CDBDMO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367730 244153870 /nfs/dbraw/zinc/15/38/70/244153870.db2.gz NFRWCJKKTDCKEY-XUJVJEKNSA-N 1 1 293.367 1.950 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncccc1[N+](=O)[O-] ZINC000420645048 244308385 /nfs/dbraw/zinc/30/83/85/244308385.db2.gz ZSXAQKBFPIQTEF-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295241613 369720225 /nfs/dbraw/zinc/72/02/25/369720225.db2.gz YFKZRWOKYJSKJZ-JTQLQIEISA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000351856271 370225261 /nfs/dbraw/zinc/22/52/61/370225261.db2.gz VBSIDSXDUJUPAY-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269549618 370580782 /nfs/dbraw/zinc/58/07/82/370580782.db2.gz MTMFTXLZVPZMRQ-UHFFFAOYSA-N 1 1 291.311 1.590 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000298474122 373666233 /nfs/dbraw/zinc/66/62/33/373666233.db2.gz CKOCKDYPASWOIX-KGLIPLIRSA-N 1 1 289.335 1.951 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269676434 373674209 /nfs/dbraw/zinc/67/42/09/373674209.db2.gz WQKCXUWYJDSBJN-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO CCC[N@H+](CC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269676434 373674218 /nfs/dbraw/zinc/67/42/18/373674218.db2.gz WQKCXUWYJDSBJN-ZDUSSCGKSA-N 1 1 295.339 1.086 20 5 CDBDMO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338214 374377715 /nfs/dbraw/zinc/37/77/15/374377715.db2.gz VTXOSEUXWOOCDY-NWDGAFQWSA-N 1 1 293.371 1.746 20 5 CDBDMO C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117741319 374585307 /nfs/dbraw/zinc/58/53/07/374585307.db2.gz VUAKEPGJUCYYJL-UHFFFAOYSA-N 1 1 297.742 1.565 20 5 CDBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C ZINC000092607602 374700068 /nfs/dbraw/zinc/70/00/68/374700068.db2.gz FZCREPOGVDLNQV-UHFFFAOYSA-N 1 1 282.344 1.678 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447818777 374715209 /nfs/dbraw/zinc/71/52/09/374715209.db2.gz YSCVESGFYNFAFB-SNVBAGLBSA-N 1 1 281.360 1.861 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1F ZINC000094774330 374847504 /nfs/dbraw/zinc/84/75/04/374847504.db2.gz NZLIAMKIMOOJAJ-LLVKDONJSA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1F ZINC000094774330 374847516 /nfs/dbraw/zinc/84/75/16/374847516.db2.gz NZLIAMKIMOOJAJ-LLVKDONJSA-N 1 1 268.288 1.938 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000332301782 375024343 /nfs/dbraw/zinc/02/43/43/375024343.db2.gz JAHDBVKLXKJOMT-ZDUSSCGKSA-N 1 1 296.302 1.760 20 5 CDBDMO CC(C)OC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282479510 375088750 /nfs/dbraw/zinc/08/87/50/375088750.db2.gz OOSFFUBUUWBFHD-HNNXBMFYSA-N 1 1 296.367 1.855 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283852087 375125431 /nfs/dbraw/zinc/12/54/31/375125431.db2.gz HBPLDRISCSYWOC-MRVPVSSYSA-N 1 1 296.302 1.140 20 5 CDBDMO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150279 375559497 /nfs/dbraw/zinc/55/94/97/375559497.db2.gz TWQHZTYIROBAAP-MFKMUULPSA-N 1 1 267.329 1.168 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000305166784 375562461 /nfs/dbraw/zinc/56/24/61/375562461.db2.gz HWZIAXUXUGYZPZ-GJZGRUSLSA-N 1 1 292.335 1.741 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC(O)C1 ZINC000353478744 375615806 /nfs/dbraw/zinc/61/58/06/375615806.db2.gz GBNBCXIWVLGYNJ-ALXWSUNGSA-N 1 1 293.323 1.377 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC(O)C1 ZINC000353478744 375615809 /nfs/dbraw/zinc/61/58/09/375615809.db2.gz GBNBCXIWVLGYNJ-ALXWSUNGSA-N 1 1 293.323 1.377 20 5 CDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058148665 375669268 /nfs/dbraw/zinc/66/92/68/375669268.db2.gz IJJUZPLTYTVVBE-GFCCVEGCSA-N 1 1 289.335 1.490 20 5 CDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])cc2C)[nH+]1 ZINC000427397213 247137257 /nfs/dbraw/zinc/13/72/57/247137257.db2.gz GGNQNOQWHASPEP-UHFFFAOYSA-N 1 1 287.323 1.948 20 5 CDBDMO Cc1cc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)on1 ZINC000358273051 375960491 /nfs/dbraw/zinc/96/04/91/375960491.db2.gz JWZMXDGZWVSGRE-LLVKDONJSA-N 1 1 291.311 1.925 20 5 CDBDMO Cc1cc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)on1 ZINC000358273051 375960494 /nfs/dbraw/zinc/96/04/94/375960494.db2.gz JWZMXDGZWVSGRE-LLVKDONJSA-N 1 1 291.311 1.925 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000162611526 376989871 /nfs/dbraw/zinc/98/98/71/376989871.db2.gz OVFLPURPEZTUHU-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357373336 377118078 /nfs/dbraw/zinc/11/80/78/377118078.db2.gz KJKBTNYQKWIFHQ-SECBINFHSA-N 1 1 268.317 1.381 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000171807690 377054972 /nfs/dbraw/zinc/05/49/72/377054972.db2.gz WLEVBHGMRSVVKK-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000265290121 190172355 /nfs/dbraw/zinc/17/23/55/190172355.db2.gz BDXWVLPOZLEXLE-GFCCVEGCSA-N 1 1 263.297 1.257 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000265290121 190172356 /nfs/dbraw/zinc/17/23/56/190172356.db2.gz BDXWVLPOZLEXLE-GFCCVEGCSA-N 1 1 263.297 1.257 20 5 CDBDMO CC[N@@H+](C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054112393 377760153 /nfs/dbraw/zinc/76/01/53/377760153.db2.gz OVLZJXLTVJJAJX-UHFFFAOYSA-N 1 1 267.329 1.645 20 5 CDBDMO CCN(C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054112393 377760157 /nfs/dbraw/zinc/76/01/57/377760157.db2.gz OVLZJXLTVJJAJX-UHFFFAOYSA-N 1 1 267.329 1.645 20 5 CDBDMO Cc1ccc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000269973680 377829927 /nfs/dbraw/zinc/82/99/27/377829927.db2.gz YGUVIHOCQJBZHR-UHFFFAOYSA-N 1 1 292.383 1.953 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266186700 190238471 /nfs/dbraw/zinc/23/84/71/190238471.db2.gz ZMCGPRBVZYQZFU-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCC1 ZINC000444669817 250162484 /nfs/dbraw/zinc/16/24/84/250162484.db2.gz FXEZWEXLJUPYDQ-UHFFFAOYSA-N 1 1 290.323 1.818 20 5 CDBDMO CC(C)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000446974722 250330008 /nfs/dbraw/zinc/33/00/08/250330008.db2.gz LEOKDEOONKQCQL-KBPBESRZSA-N 1 1 280.324 1.256 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(N)=O)CC1 ZINC000266558698 190267033 /nfs/dbraw/zinc/26/70/33/190267033.db2.gz WYPMDWSUHQKJJY-NSHDSACASA-N 1 1 292.339 1.742 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(N)=O)CC1 ZINC000266558698 190267034 /nfs/dbraw/zinc/26/70/34/190267034.db2.gz WYPMDWSUHQKJJY-NSHDSACASA-N 1 1 292.339 1.742 20 5 CDBDMO CCC(C)(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266769504 190279855 /nfs/dbraw/zinc/27/98/55/190279855.db2.gz WEAXNUUJJPDYPX-LLVKDONJSA-N 1 1 270.333 1.273 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266883095 190287285 /nfs/dbraw/zinc/28/72/85/190287285.db2.gz AYSDRQGWIQGKEN-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174863168 379596783 /nfs/dbraw/zinc/59/67/83/379596783.db2.gz LJAOQJHVWNJCEN-UHFFFAOYSA-N 1 1 252.318 1.913 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000267613711 190341326 /nfs/dbraw/zinc/34/13/26/190341326.db2.gz BVRCDAVSZRYOGA-ZDUSSCGKSA-N 1 1 294.307 1.682 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000267613711 190341327 /nfs/dbraw/zinc/34/13/27/190341327.db2.gz BVRCDAVSZRYOGA-ZDUSSCGKSA-N 1 1 294.307 1.682 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288500033 197096267 /nfs/dbraw/zinc/09/62/67/197096267.db2.gz QGSAFFPNYNNIIS-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288500033 197096269 /nfs/dbraw/zinc/09/62/69/197096269.db2.gz QGSAFFPNYNNIIS-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338421843 390662585 /nfs/dbraw/zinc/66/25/85/390662585.db2.gz PWXTWDZBTFCQQV-UHFFFAOYSA-N 1 1 268.317 1.003 20 5 CDBDMO C[N@H+]1CCC[C@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000516663947 390966210 /nfs/dbraw/zinc/96/62/10/390966210.db2.gz HCSXRSGLADDRGW-QMMMGPOBSA-N 1 1 283.357 1.374 20 5 CDBDMO Cc1cnc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255900 390969349 /nfs/dbraw/zinc/96/93/49/390969349.db2.gz ZEWGPTDUEZJBEF-AAEUAGOBSA-N 1 1 276.340 1.829 20 5 CDBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000452013650 390977086 /nfs/dbraw/zinc/97/70/86/390977086.db2.gz SWFINNUHMOOVHQ-JQWIXIFHSA-N 1 1 282.344 1.415 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000574398005 391127827 /nfs/dbraw/zinc/12/78/27/391127827.db2.gz YBSYXWREBVUUCK-GFCCVEGCSA-N 1 1 280.328 1.292 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C2CCC2)n1 ZINC000574398005 391127830 /nfs/dbraw/zinc/12/78/30/391127830.db2.gz YBSYXWREBVUUCK-GFCCVEGCSA-N 1 1 280.328 1.292 20 5 CDBDMO COC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464705 533429160 /nfs/dbraw/zinc/42/91/60/533429160.db2.gz IEYDUCSZKKNMMR-JTQLQIEISA-N 1 1 294.311 1.039 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366130734 391342400 /nfs/dbraw/zinc/34/24/00/391342400.db2.gz AFMIYWZFGLTHLF-CQSZACIVSA-N 1 1 276.340 1.830 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415628112 391469621 /nfs/dbraw/zinc/46/96/21/391469621.db2.gz DNWMMZCLLNJCMN-UHFFFAOYSA-N 1 1 292.217 1.449 20 5 CDBDMO CC(C)C[C@@H](CO)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000360494782 391661657 /nfs/dbraw/zinc/66/16/57/391661657.db2.gz HKHKRNCAMWRGCL-JTQLQIEISA-N 1 1 270.333 1.167 20 5 CDBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000360494782 391661662 /nfs/dbraw/zinc/66/16/62/391661662.db2.gz HKHKRNCAMWRGCL-JTQLQIEISA-N 1 1 270.333 1.167 20 5 CDBDMO CC[N@@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341800602 130038411 /nfs/dbraw/zinc/03/84/11/130038411.db2.gz RIPBYZSYKCTHLD-UHFFFAOYSA-N 1 1 266.301 1.057 20 5 CDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000459823218 392510217 /nfs/dbraw/zinc/51/02/17/392510217.db2.gz IQTMXQUEXWYBKC-CMPLNLGQSA-N 1 1 252.270 1.098 20 5 CDBDMO C[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000523435401 392887555 /nfs/dbraw/zinc/88/75/55/392887555.db2.gz ZAFCAPHSSFSVRF-UHFFFAOYSA-N 1 1 292.339 1.442 20 5 CDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522927606 392882060 /nfs/dbraw/zinc/88/20/60/392882060.db2.gz LZMWBOMEFQUZJC-JTQLQIEISA-N 1 1 295.343 1.086 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421008617 392926259 /nfs/dbraw/zinc/92/62/59/392926259.db2.gz DLQBCSFKZCKCDP-GFCCVEGCSA-N 1 1 282.344 1.276 20 5 CDBDMO Cc1nc(N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000420636320 392920947 /nfs/dbraw/zinc/92/09/47/392920947.db2.gz NAZXOKKVXOAHEV-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000423711395 392967065 /nfs/dbraw/zinc/96/70/65/392967065.db2.gz RNSDXCBEQDTLEW-UHFFFAOYSA-N 1 1 295.343 1.094 20 5 CDBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123638 393107131 /nfs/dbraw/zinc/10/71/31/393107131.db2.gz ZJXDYFABZCFQHZ-OLZOCXBDSA-N 1 1 296.371 1.519 20 5 CDBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)O ZINC000352209705 393208617 /nfs/dbraw/zinc/20/86/17/393208617.db2.gz CODIYACRQFPUOO-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000069670205 134944008 /nfs/dbraw/zinc/94/40/08/134944008.db2.gz AMXALAXYAKVBRA-SNVBAGLBSA-N 1 1 283.303 1.237 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134120107 139874616 /nfs/dbraw/zinc/87/46/16/139874616.db2.gz RFJCQRKUKLITCT-SNVBAGLBSA-N 1 1 295.314 1.344 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252858004 140328061 /nfs/dbraw/zinc/32/80/61/140328061.db2.gz IOVDLJGESYNUFQ-QEJZJMRPSA-N 1 1 276.336 1.840 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343458068 152187552 /nfs/dbraw/zinc/18/75/52/152187552.db2.gz VWOYUIORVSVVFK-GWCFXTLKSA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@H+]1C ZINC000343509303 152205858 /nfs/dbraw/zinc/20/58/58/152205858.db2.gz HZCMSRRISOFDDD-MWLCHTKSSA-N 1 1 250.302 1.884 20 5 CDBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352185976 155004751 /nfs/dbraw/zinc/00/47/51/155004751.db2.gz HVRHDIIYMUVTLG-WDEREUQCSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000284842729 196142717 /nfs/dbraw/zinc/14/27/17/196142717.db2.gz RAYWYSBHFKWTFU-SNVBAGLBSA-N 1 1 254.286 1.286 20 5 CDBDMO C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362825945 273900602 /nfs/dbraw/zinc/90/06/02/273900602.db2.gz LAFKLFFVSRVAEW-UHFFFAOYSA-N 1 1 289.295 1.397 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270933399 277098352 /nfs/dbraw/zinc/09/83/52/277098352.db2.gz QTIHVQGXJDKGDE-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270933399 277098353 /nfs/dbraw/zinc/09/83/53/277098353.db2.gz QTIHVQGXJDKGDE-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299023 277161214 /nfs/dbraw/zinc/16/12/14/277161214.db2.gz LQTLYZXONBQYBL-LLVKDONJSA-N 1 1 268.342 1.583 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553166 278296543 /nfs/dbraw/zinc/29/65/43/278296543.db2.gz DCSWTTLJUVNIHY-XTZNXHDOSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000158553166 278296546 /nfs/dbraw/zinc/29/65/46/278296546.db2.gz DCSWTTLJUVNIHY-XTZNXHDOSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@H+]1C ZINC000447684588 280102770 /nfs/dbraw/zinc/10/27/70/280102770.db2.gz BTOPQCNJLSSIRE-ONGXEEELSA-N 1 1 289.339 1.788 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245438513 280208637 /nfs/dbraw/zinc/20/86/37/280208637.db2.gz FKFGRDKKPIXVPZ-GHMZBOCLSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245438513 280208639 /nfs/dbraw/zinc/20/86/39/280208639.db2.gz FKFGRDKKPIXVPZ-GHMZBOCLSA-N 1 1 295.339 1.625 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOCC23CCCC3)n1 ZINC000362420765 280376825 /nfs/dbraw/zinc/37/68/25/280376825.db2.gz ZTJAAYDHGCFZIT-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOCC23CCCC3)n1 ZINC000362420765 280376826 /nfs/dbraw/zinc/37/68/26/280376826.db2.gz ZTJAAYDHGCFZIT-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000292459396 281014106 /nfs/dbraw/zinc/01/41/06/281014106.db2.gz ZWXCDUPYSCBYQC-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000568770763 294100012 /nfs/dbraw/zinc/10/00/12/294100012.db2.gz PKBDQZNLBFCOIN-NXEZZACHSA-N 1 1 295.343 1.311 20 5 CDBDMO COCC(COC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000388431076 323789965 /nfs/dbraw/zinc/78/99/65/323789965.db2.gz NKBBUFNKAIEYAK-UHFFFAOYSA-N 1 1 260.315 1.407 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCNC1=O ZINC000579137401 324117431 /nfs/dbraw/zinc/11/74/31/324117431.db2.gz BDYLIKCILYUNEJ-ZDUSSCGKSA-N 1 1 291.351 1.595 20 5 CDBDMO O=C1NCC[C@@]12CCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000579850435 324301137 /nfs/dbraw/zinc/30/11/37/324301137.db2.gz XHWHATCQFQSACW-HNNXBMFYSA-N 1 1 289.335 1.492 20 5 CDBDMO COc1ccc(NC(=O)CC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000583329443 325153858 /nfs/dbraw/zinc/15/38/58/325153858.db2.gz YBVFVSRDXNZJBO-UHFFFAOYSA-N 1 1 289.238 1.526 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](C)C1 ZINC000052812384 525576572 /nfs/dbraw/zinc/57/65/72/525576572.db2.gz HRVJDBZPJOVGDW-JTQLQIEISA-N 1 1 250.302 1.662 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ccco3)C2)n1 ZINC000365832214 527406838 /nfs/dbraw/zinc/40/68/38/527406838.db2.gz BXEHOKKEXKDHLO-NSHDSACASA-N 1 1 276.296 1.874 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283953825 527823592 /nfs/dbraw/zinc/82/35/92/527823592.db2.gz YLQGMBXEOADSLS-NSHDSACASA-N 1 1 278.356 1.955 20 5 CDBDMO CC(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173573531 527943166 /nfs/dbraw/zinc/94/31/66/527943166.db2.gz QIOGGGUGUFMURM-ZDUSSCGKSA-N 1 1 284.360 1.519 20 5 CDBDMO C[N@@H+](CCCCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000413351108 536334587 /nfs/dbraw/zinc/33/45/87/536334587.db2.gz YSTAXJHZIVZCCP-UHFFFAOYSA-N 1 1 270.358 1.760 20 5 CDBDMO C[C@@H]1COCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000753992430 574986597 /nfs/dbraw/zinc/98/65/97/574986597.db2.gz KDEOQOUXKSRFDI-NSHDSACASA-N 1 1 290.323 1.870 20 5 CDBDMO C[C@@H]1COCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000753992430 574986600 /nfs/dbraw/zinc/98/66/00/574986600.db2.gz KDEOQOUXKSRFDI-NSHDSACASA-N 1 1 290.323 1.870 20 5 CDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000761080662 576544709 /nfs/dbraw/zinc/54/47/09/576544709.db2.gz VCQDYLNMKLOCOV-GFCCVEGCSA-N 1 1 279.340 1.610 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000742197944 575994278 /nfs/dbraw/zinc/99/42/78/575994278.db2.gz XFNMSWNIOCKIPJ-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000742197944 575994280 /nfs/dbraw/zinc/99/42/80/575994280.db2.gz XFNMSWNIOCKIPJ-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000769140369 576333608 /nfs/dbraw/zinc/33/36/08/576333608.db2.gz NAIHFAHUCCCFPA-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000769140369 576333609 /nfs/dbraw/zinc/33/36/09/576333609.db2.gz NAIHFAHUCCCFPA-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNc1cccnc1[N+](=O)[O-] ZINC000742425961 576602653 /nfs/dbraw/zinc/60/26/53/576602653.db2.gz RKXBRDALRFRZSQ-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954271 576608595 /nfs/dbraw/zinc/60/85/95/576608595.db2.gz LIRAKKMNLHKPBS-NEPJUHHUSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954271 576608597 /nfs/dbraw/zinc/60/85/97/576608597.db2.gz LIRAKKMNLHKPBS-NEPJUHHUSA-N 1 1 291.351 1.861 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000746382886 576774159 /nfs/dbraw/zinc/77/41/59/576774159.db2.gz OZLWERQAYLAWRD-ZDUSSCGKSA-N 1 1 293.371 1.413 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068387 576974859 /nfs/dbraw/zinc/97/48/59/576974859.db2.gz VKEDPKZBNHAKLG-AWEZNQCLSA-N 1 1 296.367 1.969 20 5 CDBDMO C[N@H+](Cc1cn[nH]c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108809 576976337 /nfs/dbraw/zinc/97/63/37/576976337.db2.gz WMHKHBNLANHSCP-ZDUSSCGKSA-N 1 1 276.296 1.483 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000892674490 617580932 /nfs/dbraw/zinc/58/09/32/617580932.db2.gz WBWBOKZSYOUOPH-BDAKNGLRSA-N 1 1 253.306 1.223 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892748756 617696245 /nfs/dbraw/zinc/69/62/45/617696245.db2.gz GCKNDZVSIVGCLA-MNOVXSKESA-N 1 1 292.339 1.671 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000893937853 618198697 /nfs/dbraw/zinc/19/86/97/618198697.db2.gz AYNCUYBVEDYLPM-RNCFNFMXSA-N 1 1 287.323 1.611 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893948401 618214175 /nfs/dbraw/zinc/21/41/75/618214175.db2.gz DAUUDUTWZKXRJK-SCZZXKLOSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000893948401 618214177 /nfs/dbraw/zinc/21/41/77/618214177.db2.gz DAUUDUTWZKXRJK-SCZZXKLOSA-N 1 1 282.296 1.264 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)C ZINC000786972333 618367843 /nfs/dbraw/zinc/36/78/43/618367843.db2.gz CGPIDOXIAUVDBH-UHFFFAOYSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928559256 619377759 /nfs/dbraw/zinc/37/77/59/619377759.db2.gz WORDDHSBHLVUGJ-VIFPVBQESA-N 1 1 288.307 1.510 20 5 CDBDMO Cc1ccnc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895245591 619486298 /nfs/dbraw/zinc/48/62/98/619486298.db2.gz GOCYUCJXUPAEIB-NWDGAFQWSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1ccnc(N[C@@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000895245591 619486300 /nfs/dbraw/zinc/48/63/00/619486300.db2.gz GOCYUCJXUPAEIB-NWDGAFQWSA-N 1 1 293.371 1.344 20 5 CDBDMO CC[C@@H](CNCC[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000899869184 622495164 /nfs/dbraw/zinc/49/51/64/622495164.db2.gz BOTVVOWOXZOIDG-HNNXBMFYSA-N 1 1 277.368 1.690 20 5 CDBDMO CC[C@@H](CNCC[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000899869184 622495167 /nfs/dbraw/zinc/49/51/67/622495167.db2.gz BOTVVOWOXZOIDG-HNNXBMFYSA-N 1 1 277.368 1.690 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000902933271 625658549 /nfs/dbraw/zinc/65/85/49/625658549.db2.gz IYOJJKXGZRYHNG-LLVKDONJSA-N 1 1 264.285 1.420 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902935636 625663266 /nfs/dbraw/zinc/66/32/66/625663266.db2.gz YXLJFFLTLDRFOL-LLVKDONJSA-N 1 1 264.285 1.420 20 5 CDBDMO C[C@@H](CNCC[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000905103941 626621073 /nfs/dbraw/zinc/62/10/73/626621073.db2.gz BPXCNCJVQLYEOU-LBPRGKRZSA-N 1 1 251.330 1.373 20 5 CDBDMO C[C@@H](CNCC[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000905103941 626621074 /nfs/dbraw/zinc/62/10/74/626621074.db2.gz BPXCNCJVQLYEOU-LBPRGKRZSA-N 1 1 251.330 1.373 20 5 CDBDMO CCNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000906229189 627157613 /nfs/dbraw/zinc/15/76/13/627157613.db2.gz JFICFGBIMFBKRP-NSHDSACASA-N 1 1 292.339 1.461 20 5 CDBDMO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000906229189 627157615 /nfs/dbraw/zinc/15/76/15/627157615.db2.gz JFICFGBIMFBKRP-NSHDSACASA-N 1 1 292.339 1.461 20 5 CDBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156448130 630557110 /nfs/dbraw/zinc/55/71/10/630557110.db2.gz BABTWVXPSDULDD-NEPJUHHUSA-N 1 1 282.344 1.884 20 5 CDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000156448130 630557113 /nfs/dbraw/zinc/55/71/13/630557113.db2.gz BABTWVXPSDULDD-NEPJUHHUSA-N 1 1 282.344 1.884 20 5 CDBDMO CC[N@H+](CCC(=O)OC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000151982920 630835557 /nfs/dbraw/zinc/83/55/57/630835557.db2.gz SMUGALWWZROYSP-UHFFFAOYSA-N 1 1 284.316 1.251 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000151982920 630835560 /nfs/dbraw/zinc/83/55/60/630835560.db2.gz SMUGALWWZROYSP-UHFFFAOYSA-N 1 1 284.316 1.251 20 5 CDBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336564 1162339176 /nfs/dbraw/zinc/33/91/76/1162339176.db2.gz ZKNSPPVXKZEQEO-PGUXBMHVSA-N 1 1 294.351 1.847 20 5 CDBDMO CCc1nn(C)c(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000807988898 1162795564 /nfs/dbraw/zinc/79/55/64/1162795564.db2.gz WRODIAWVJPAUAK-SNVBAGLBSA-N 1 1 281.360 1.787 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]2C1 ZINC001157689382 1162283894 /nfs/dbraw/zinc/28/38/94/1162283894.db2.gz MZURCRYMXQDSAY-TXEJJXNPSA-N 1 1 276.340 1.768 20 5 CDBDMO C[N@H+](CCCF)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591066766 1173570546 /nfs/dbraw/zinc/57/05/46/1173570546.db2.gz OWVJWLXOKHYLOH-UHFFFAOYSA-N 1 1 294.290 1.566 20 5 CDBDMO C[N@@H+](CCCF)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591066766 1173570551 /nfs/dbraw/zinc/57/05/51/1173570551.db2.gz OWVJWLXOKHYLOH-UHFFFAOYSA-N 1 1 294.290 1.566 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164636534 719152338 /nfs/dbraw/zinc/15/23/38/719152338.db2.gz YVYXWSJRTQVYGK-HTQZYQBOSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164636534 719152345 /nfs/dbraw/zinc/15/23/45/719152345.db2.gz YVYXWSJRTQVYGK-HTQZYQBOSA-N 1 1 299.762 1.875 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782617019 730443110 /nfs/dbraw/zinc/44/31/10/730443110.db2.gz KJAQMDNNJHLSCO-DOMZBBRYSA-N 1 1 292.335 1.678 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C3([NH3+])CC3)n2)c1 ZINC000843223709 730458871 /nfs/dbraw/zinc/45/88/71/730458871.db2.gz UYAQUQFAUZDXHV-UHFFFAOYSA-N 1 1 290.279 1.525 20 5 CDBDMO O=[N+]([O-])c1ccc(CCCCN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925569945 730463243 /nfs/dbraw/zinc/46/32/43/730463243.db2.gz BPVVKPAWQMAQRN-AWEZNQCLSA-N 1 1 293.367 1.496 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000311921988 730526307 /nfs/dbraw/zinc/52/63/07/730526307.db2.gz GTPYRMNSSVICLJ-SNVBAGLBSA-N 1 1 272.276 1.425 20 5 CDBDMO C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635844 730558939 /nfs/dbraw/zinc/55/89/39/730558939.db2.gz AKILRWAUEKROHG-WHOFXGATSA-N 1 1 294.351 1.516 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249478 731353319 /nfs/dbraw/zinc/35/33/19/731353319.db2.gz HBUBMNFZOPNCAW-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@H]1CN(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000933249478 731353320 /nfs/dbraw/zinc/35/33/20/731353320.db2.gz HBUBMNFZOPNCAW-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000933249478 731353321 /nfs/dbraw/zinc/35/33/21/731353321.db2.gz HBUBMNFZOPNCAW-ZDUSSCGKSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000886249697 731397079 /nfs/dbraw/zinc/39/70/79/731397079.db2.gz QXTHWUTTWGMEBD-LBPRGKRZSA-N 1 1 292.339 1.479 20 5 CDBDMO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000886249697 731397082 /nfs/dbraw/zinc/39/70/82/731397082.db2.gz QXTHWUTTWGMEBD-LBPRGKRZSA-N 1 1 292.339 1.479 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000930646262 731401184 /nfs/dbraw/zinc/40/11/84/731401184.db2.gz NCJWPLDNDMOEII-UHFFFAOYSA-N 1 1 287.360 1.642 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000930646262 731401181 /nfs/dbraw/zinc/40/11/81/731401181.db2.gz NCJWPLDNDMOEII-UHFFFAOYSA-N 1 1 287.360 1.642 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000930553864 731457461 /nfs/dbraw/zinc/45/74/61/731457461.db2.gz YQKHXERLZQUOJP-VXGBXAGGSA-N 1 1 299.371 1.594 20 5 CDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000931668187 731479336 /nfs/dbraw/zinc/47/93/36/731479336.db2.gz OMQZWJQQGAGRRY-ZDUSSCGKSA-N 1 1 296.323 1.462 20 5 CDBDMO CO[C@H]1C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144400 731532417 /nfs/dbraw/zinc/53/24/17/731532417.db2.gz YVRUWSVKZVMIDI-RYUDHWBXSA-N 1 1 280.328 1.638 20 5 CDBDMO CO[C@H]1C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144400 731532421 /nfs/dbraw/zinc/53/24/21/731532421.db2.gz YVRUWSVKZVMIDI-RYUDHWBXSA-N 1 1 280.328 1.638 20 5 CDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000886597446 731599332 /nfs/dbraw/zinc/59/93/32/731599332.db2.gz DVSAKQUTSBACCA-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000886597446 731599341 /nfs/dbraw/zinc/59/93/41/731599341.db2.gz DVSAKQUTSBACCA-SNVBAGLBSA-N 1 1 295.343 1.120 20 5 CDBDMO C[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000173526926 731821015 /nfs/dbraw/zinc/82/10/15/731821015.db2.gz GLXKWBIESJFOTI-VIFPVBQESA-N 1 1 277.280 1.945 20 5 CDBDMO C[C@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000173526926 731821017 /nfs/dbraw/zinc/82/10/17/731821017.db2.gz GLXKWBIESJFOTI-VIFPVBQESA-N 1 1 277.280 1.945 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819323314 731887909 /nfs/dbraw/zinc/88/79/09/731887909.db2.gz ZJWUZPYRILPZLC-IUODEOHRSA-N 1 1 295.383 1.947 20 5 CDBDMO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819323314 731887912 /nfs/dbraw/zinc/88/79/12/731887912.db2.gz ZJWUZPYRILPZLC-IUODEOHRSA-N 1 1 295.383 1.947 20 5 CDBDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000113064811 731895681 /nfs/dbraw/zinc/89/56/81/731895681.db2.gz MTVZNWQMBGMOED-LLVKDONJSA-N 1 1 278.312 1.600 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000113064811 731895682 /nfs/dbraw/zinc/89/56/82/731895682.db2.gz MTVZNWQMBGMOED-LLVKDONJSA-N 1 1 278.312 1.600 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000886027938 732148976 /nfs/dbraw/zinc/14/89/76/732148976.db2.gz KEXZKLRBHYGCSN-UHFFFAOYSA-N 1 1 277.324 1.992 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721477 732172954 /nfs/dbraw/zinc/17/29/54/732172954.db2.gz MPDJMXOUNJBVRQ-ZMJPVWNMSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000839721477 732172961 /nfs/dbraw/zinc/17/29/61/732172961.db2.gz MPDJMXOUNJBVRQ-ZMJPVWNMSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839721477 732172974 /nfs/dbraw/zinc/17/29/74/732172974.db2.gz MPDJMXOUNJBVRQ-ZMJPVWNMSA-N 1 1 295.383 1.421 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247340 732397976 /nfs/dbraw/zinc/39/79/76/732397976.db2.gz SNDUYKGLZQJIFW-MFKMUULPSA-N 1 1 277.324 1.866 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000933860096 732522661 /nfs/dbraw/zinc/52/26/61/732522661.db2.gz KGEHTSPAFIGPAK-UHFFFAOYSA-N 1 1 295.339 1.561 20 5 CDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000776591233 732539017 /nfs/dbraw/zinc/53/90/17/732539017.db2.gz HUVOHKUZNDQVIW-KBPBESRZSA-N 1 1 280.324 1.331 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000882208802 732878621 /nfs/dbraw/zinc/87/86/21/732878621.db2.gz BVNMMQCEWJFGFL-QMMMGPOBSA-N 1 1 277.259 1.752 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886097974 732883961 /nfs/dbraw/zinc/88/39/61/732883961.db2.gz HNDWTHCZYZMFNS-NEPJUHHUSA-N 1 1 278.356 1.904 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886186023 732911455 /nfs/dbraw/zinc/91/14/55/732911455.db2.gz ODSWGIIRRKVZTE-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCO1 ZINC000886186023 732911458 /nfs/dbraw/zinc/91/14/58/732911458.db2.gz ODSWGIIRRKVZTE-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000110920895 733034668 /nfs/dbraw/zinc/03/46/68/733034668.db2.gz NMAINJCXHHLWGK-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000110920895 733034672 /nfs/dbraw/zinc/03/46/72/733034672.db2.gz NMAINJCXHHLWGK-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](F)(CO)C1 ZINC001173230706 912329156 /nfs/dbraw/zinc/32/91/56/912329156.db2.gz ZSKFNPKNYSWBTH-BXUZGUMPSA-N 1 1 282.315 1.932 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167358024 895424957 /nfs/dbraw/zinc/42/49/57/895424957.db2.gz IFAGIGLSYCDCJE-UHFFFAOYSA-N 1 1 284.279 1.200 20 5 CDBDMO CO[C@@H]1CC[N@H+](CCOc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491189 902793468 /nfs/dbraw/zinc/79/34/68/902793468.db2.gz NDLZCWUFAYENME-LLVKDONJSA-N 1 1 282.296 1.400 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225491189 902793475 /nfs/dbraw/zinc/79/34/75/902793475.db2.gz NDLZCWUFAYENME-LLVKDONJSA-N 1 1 282.296 1.400 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000697875313 909421897 /nfs/dbraw/zinc/42/18/97/909421897.db2.gz VZDQFBPTFLHKKZ-UHFFFAOYSA-N 1 1 283.715 1.684 20 5 CDBDMO O=C(NCC[NH2+]CCCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936249 909930599 /nfs/dbraw/zinc/93/05/99/909930599.db2.gz CQIJRUIAXGHBAK-RKDXNWHRSA-N 1 1 297.277 1.090 20 5 CDBDMO C[NH+](C)[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469765 911966890 /nfs/dbraw/zinc/96/68/90/911966890.db2.gz WOMQGBJNHQACBK-HUUCEWRRSA-N 1 1 293.367 1.558 20 5 CDBDMO COCCCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000842171039 937036683 /nfs/dbraw/zinc/03/66/83/937036683.db2.gz HUFAKNFNQYXRTQ-AWEZNQCLSA-N 1 1 282.340 1.987 20 5 CDBDMO CC[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843171209 937117646 /nfs/dbraw/zinc/11/76/46/937117646.db2.gz VOAQGOMMMFZRJY-VIFPVBQESA-N 1 1 262.269 1.978 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(NCCn2cc[nH+]c2C)n1 ZINC001156006625 927250450 /nfs/dbraw/zinc/25/04/50/927250450.db2.gz CWBSTFCIDBTCSC-UHFFFAOYSA-N 1 1 292.299 1.319 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010921 927617871 /nfs/dbraw/zinc/61/78/71/927617871.db2.gz GEAZCCMZVDQICX-XQHKEYJVSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCCC23COC3)C1 ZINC001169037253 927646626 /nfs/dbraw/zinc/64/66/26/927646626.db2.gz RLWNXAVLEYRTJR-NEPJUHHUSA-N 1 1 254.330 1.687 20 5 CDBDMO CN(C)C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037696 927647578 /nfs/dbraw/zinc/64/75/78/927647578.db2.gz SWITWOLAJCSDHV-AGIUHOORSA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCOC3)C1 ZINC001169040040 927653870 /nfs/dbraw/zinc/65/38/70/927653870.db2.gz XEFYPJLVPKCIRC-JHJVBQTASA-N 1 1 254.330 1.687 20 5 CDBDMO CC(C)CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169019095 927659028 /nfs/dbraw/zinc/65/90/28/927659028.db2.gz GUKQVNGHWRKIOA-ZIAGYGMSSA-N 1 1 269.389 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057495 927675511 /nfs/dbraw/zinc/67/55/11/927675511.db2.gz WATRSLXHYZEEAL-KBXIAJHMSA-N 1 1 299.390 1.940 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)C1 ZINC001169057495 927675518 /nfs/dbraw/zinc/67/55/18/927675518.db2.gz WATRSLXHYZEEAL-KBXIAJHMSA-N 1 1 299.390 1.940 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169057966 927676150 /nfs/dbraw/zinc/67/61/50/927676150.db2.gz ZOMJOUBKCLKMCA-NTZNESFSSA-N 1 1 270.329 1.317 20 5 CDBDMO COc1ncnc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157009300 929103879 /nfs/dbraw/zinc/10/38/79/929103879.db2.gz GRWLIHPWQROOOV-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO COc1nc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)ccc1[N+](=O)[O-] ZINC001157010841 929104718 /nfs/dbraw/zinc/10/47/18/929104718.db2.gz UCCVRSIPDGTPDD-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO COc1cnc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266480 929411954 /nfs/dbraw/zinc/41/19/54/929411954.db2.gz SXJNPVLVEUSCOF-MFKMUULPSA-N 1 1 292.339 1.529 20 5 CDBDMO CCN(CC)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134477785 930560949 /nfs/dbraw/zinc/56/09/49/930560949.db2.gz BSIJYNUZWLFJIB-UHFFFAOYSA-N 1 1 271.342 1.614 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000795750743 934930486 /nfs/dbraw/zinc/93/04/86/934930486.db2.gz MWPMGUHSBNSROD-JTQLQIEISA-N 1 1 278.312 1.869 20 5 CDBDMO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048606690 936058983 /nfs/dbraw/zinc/05/89/83/936058983.db2.gz CMRSACPMMMZVHS-AAVRWANBSA-N 1 1 297.399 1.572 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)n1 ZINC001156974284 938441299 /nfs/dbraw/zinc/44/12/99/938441299.db2.gz FXCKVFWSZIGZEL-UHFFFAOYSA-N 1 1 274.284 1.591 20 5 CDBDMO CC[N@H+]1CCCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001163771481 939326174 /nfs/dbraw/zinc/32/61/74/939326174.db2.gz YRGFMEPTWLDCTI-UHFFFAOYSA-N 1 1 250.302 1.522 20 5 CDBDMO CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494420 939479093 /nfs/dbraw/zinc/47/90/93/939479093.db2.gz JBOMZPKVPCXLOM-VXGBXAGGSA-N 1 1 283.372 1.328 20 5 CDBDMO [NH3+]CCc1nccn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001166369874 939606223 /nfs/dbraw/zinc/60/62/23/939606223.db2.gz LWENZOHCHLDGCG-UHFFFAOYSA-N 1 1 272.268 1.158 20 5 CDBDMO C[N@@H+]1CCO[C@@H](COCc2ccccc2[N+](=O)[O-])C1 ZINC001222759323 941632118 /nfs/dbraw/zinc/63/21/18/941632118.db2.gz FFHODFRZWTUCSE-GFCCVEGCSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@@H](COCc2ccccc2[N+](=O)[O-])C1 ZINC001222759323 941632121 /nfs/dbraw/zinc/63/21/21/941632121.db2.gz FFHODFRZWTUCSE-GFCCVEGCSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@@H+]1CCO[C@@H](COCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329977 941743239 /nfs/dbraw/zinc/74/32/39/941743239.db2.gz AHKIZEXUUJDDEZ-CQSZACIVSA-N 1 1 280.324 1.485 20 5 CDBDMO C[N@H+]1CCO[C@@H](COCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224329977 941743240 /nfs/dbraw/zinc/74/32/40/941743240.db2.gz AHKIZEXUUJDDEZ-CQSZACIVSA-N 1 1 280.324 1.485 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805312 942075375 /nfs/dbraw/zinc/07/53/75/942075375.db2.gz XPTCYRQEDCXFQI-MRVPVSSYSA-N 1 1 292.270 1.760 20 5 CDBDMO C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001262654012 943658125 /nfs/dbraw/zinc/65/81/25/943658125.db2.gz VZLHCCMFZSYWKI-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001262654012 943658128 /nfs/dbraw/zinc/65/81/28/943658128.db2.gz VZLHCCMFZSYWKI-VIFPVBQESA-N 1 1 283.353 1.870 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000700424054 944331092 /nfs/dbraw/zinc/33/10/92/944331092.db2.gz VNXIGMNVEHRBDQ-UHFFFAOYSA-N 1 1 278.312 1.072 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001254550403 947522664 /nfs/dbraw/zinc/52/26/64/947522664.db2.gz JALCWKFRAFAJDN-YPMHNXCESA-N 1 1 291.351 1.723 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](O)C1)C2 ZINC001254594468 947544821 /nfs/dbraw/zinc/54/48/21/947544821.db2.gz RFYPLHNGOUHZTC-KBPBESRZSA-N 1 1 262.309 1.519 20 5 CDBDMO CC[N@@H+](C1COC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602606 947553894 /nfs/dbraw/zinc/55/38/94/947553894.db2.gz GVFOSOOYMHLSIE-ZDUSSCGKSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCCC1=O ZINC001246295787 948090325 /nfs/dbraw/zinc/09/03/25/948090325.db2.gz VQEQWFZZLWYFHY-PWSUYJOCSA-N 1 1 277.324 1.046 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1=O ZINC001246295787 948090330 /nfs/dbraw/zinc/09/03/30/948090330.db2.gz VQEQWFZZLWYFHY-PWSUYJOCSA-N 1 1 277.324 1.046 20 5 CDBDMO [NH3+]C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553350 948259375 /nfs/dbraw/zinc/25/93/75/948259375.db2.gz AYVJIPPKKRGYTI-AXFHLTTASA-N 1 1 277.315 1.348 20 5 CDBDMO CCC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248948535 949307125 /nfs/dbraw/zinc/30/71/25/949307125.db2.gz QNYPVSNYIDPQJK-SSDOTTSWSA-N 1 1 281.247 1.979 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001252637859 951528595 /nfs/dbraw/zinc/52/85/95/951528595.db2.gz JSDBUPQZBHXJMY-UHFFFAOYSA-N 1 1 252.318 1.912 20 5 CDBDMO O=C(CCc1cnc[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001322415528 960211992 /nfs/dbraw/zinc/21/19/92/960211992.db2.gz FUQGGHKURJHOQO-UHFFFAOYSA-N 1 1 286.291 1.793 20 5 CDBDMO C[NH+](C)[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406611 961781430 /nfs/dbraw/zinc/78/14/30/961781430.db2.gz BJNZXSVCCQXXER-GJZGRUSLSA-N 1 1 293.367 1.558 20 5 CDBDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC001351302545 966906761 /nfs/dbraw/zinc/90/67/61/966906761.db2.gz AFVDRGMLJKMIQA-AWEZNQCLSA-N 1 1 299.371 1.596 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC001352125220 967105217 /nfs/dbraw/zinc/10/52/17/967105217.db2.gz NTEIYQAYLRYDMO-UHFFFAOYSA-N 1 1 256.252 1.716 20 5 CDBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001576252234 1171371778 /nfs/dbraw/zinc/37/17/78/1171371778.db2.gz QHPSWQDZMXXWPP-MISXGVKJSA-N 1 1 279.340 1.622 20 5 CDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccsc1[N+](=O)[O-] ZINC000601114977 342471876 /nfs/dbraw/zinc/47/18/76/342471876.db2.gz CWAPUPDWNQEIRK-UHFFFAOYSA-N 1 1 298.412 1.730 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@]3(O)CCOC3)c2c1 ZINC000601136264 342476465 /nfs/dbraw/zinc/47/64/65/342476465.db2.gz ZBXQVNYEVGZNRL-CQSZACIVSA-N 1 1 289.291 1.128 20 5 CDBDMO CCc1nn(C)c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590146277 342522992 /nfs/dbraw/zinc/52/29/92/342522992.db2.gz JYMXJFUTSZDIRJ-AOOOYVTPSA-N 1 1 281.360 1.420 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599200086 343979847 /nfs/dbraw/zinc/97/98/47/343979847.db2.gz WBYULXRLMWLTTM-LBPRGKRZSA-N 1 1 265.313 1.382 20 5 CDBDMO C[C@H]1[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCC[N@H+]1C ZINC000342834861 361751164 /nfs/dbraw/zinc/75/11/64/361751164.db2.gz LARPUCXNTJGFJV-ONGXEEELSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609200906 342095895 /nfs/dbraw/zinc/09/58/95/342095895.db2.gz CMVDZJIGADWQKI-PWSUYJOCSA-N 1 1 277.324 1.724 20 5 CDBDMO CCOCC[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609257315 342098737 /nfs/dbraw/zinc/09/87/37/342098737.db2.gz FWVXBARZDFICSE-UHFFFAOYSA-N 1 1 280.328 1.148 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000590962257 342611727 /nfs/dbraw/zinc/61/17/27/342611727.db2.gz XLZZDUUWRYQRKH-LBPRGKRZSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCCC2)O1 ZINC000592191456 342674374 /nfs/dbraw/zinc/67/43/74/342674374.db2.gz CMVNABQWWLDTQW-LBPRGKRZSA-N 1 1 294.355 1.825 20 5 CDBDMO CC[N@@H+](CCSC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592202326 342676648 /nfs/dbraw/zinc/67/66/48/342676648.db2.gz XKRUUBHMYILXPB-UHFFFAOYSA-N 1 1 297.380 1.879 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000565618643 365687456 /nfs/dbraw/zinc/68/74/56/365687456.db2.gz FCKAIHQMUZXQLN-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000565618643 365687466 /nfs/dbraw/zinc/68/74/66/365687466.db2.gz FCKAIHQMUZXQLN-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885519 342968385 /nfs/dbraw/zinc/96/83/85/342968385.db2.gz GVORJQSVHLIKIR-AOOOYVTPSA-N 1 1 253.306 1.164 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311304 343032931 /nfs/dbraw/zinc/03/29/31/343032931.db2.gz INYWKSDBYAAYDE-SNVBAGLBSA-N 1 1 269.301 1.750 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595311304 343032933 /nfs/dbraw/zinc/03/29/33/343032933.db2.gz INYWKSDBYAAYDE-SNVBAGLBSA-N 1 1 269.301 1.750 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396487 343047746 /nfs/dbraw/zinc/04/77/46/343047746.db2.gz VWYGRIVMPXMGSY-GHMZBOCLSA-N 1 1 281.312 1.750 20 5 CDBDMO Nc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] 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Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CCCO)C1 ZINC000602837902 344620044 /nfs/dbraw/zinc/62/00/44/344620044.db2.gz PTJLXZYXWFJDHO-LBPRGKRZSA-N 1 1 282.344 1.194 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000602881625 344633606 /nfs/dbraw/zinc/63/36/06/344633606.db2.gz GHEYPWYHQWQDAP-DGCLKSJQSA-N 1 1 296.371 1.583 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000159284327 344806657 /nfs/dbraw/zinc/80/66/57/344806657.db2.gz CNZJMTORKGSJNR-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO CCO[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159840905 345276867 /nfs/dbraw/zinc/27/68/67/345276867.db2.gz CKTIBGNLTFAVKH-CYBMUJFWSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344411428 362754131 /nfs/dbraw/zinc/75/41/31/362754131.db2.gz CKKUZAMPBGTXOC-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344411428 362754137 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Cc1cnc(OCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000412997383 363037537 /nfs/dbraw/zinc/03/75/37/363037537.db2.gz HZHPNEXVQKOLFN-UHFFFAOYSA-N 1 1 281.312 1.399 20 5 CDBDMO Cc1cnc(OCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000412997383 363037542 /nfs/dbraw/zinc/03/75/42/363037542.db2.gz HZHPNEXVQKOLFN-UHFFFAOYSA-N 1 1 281.312 1.399 20 5 CDBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000155114387 188183112 /nfs/dbraw/zinc/18/31/12/188183112.db2.gz HAXDKCFSFSRZJE-NSHDSACASA-N 1 1 296.327 1.066 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000157768346 188337258 /nfs/dbraw/zinc/33/72/58/188337258.db2.gz GWNXUTQNUGRRIZ-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000250973518 366115008 /nfs/dbraw/zinc/11/50/08/366115008.db2.gz FANVQKSICOJYMY-NWDGAFQWSA-N 1 1 292.339 1.573 20 5 CDBDMO CC1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859685 188921499 /nfs/dbraw/zinc/92/14/99/188921499.db2.gz GERZMKHIYQGBRG-UHFFFAOYSA-N 1 1 252.318 1.913 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000304528132 356305516 /nfs/dbraw/zinc/30/55/16/356305516.db2.gz MHZRCSYGCSFBCV-CMPLNLGQSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000219436341 356349417 /nfs/dbraw/zinc/34/94/17/356349417.db2.gz NIBHYWBEBFDSEJ-VIFPVBQESA-N 1 1 250.302 1.884 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448709 357318248 /nfs/dbraw/zinc/31/82/48/357318248.db2.gz SECSXGIDTULBFF-STQMWFEESA-N 1 1 296.323 1.055 20 5 CDBDMO CCCC[N@@H+](CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182131415 357411073 /nfs/dbraw/zinc/41/10/73/357411073.db2.gz LURDJFRMGOVOJU-UHFFFAOYSA-N 1 1 297.355 1.241 20 5 CDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000185733365 357571643 /nfs/dbraw/zinc/57/16/43/357571643.db2.gz LLUPTSOCBPEAJA-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408085704 357817923 /nfs/dbraw/zinc/81/79/23/357817923.db2.gz CCGYJKPEQBABNO-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408085704 357817926 /nfs/dbraw/zinc/81/79/26/357817926.db2.gz CCGYJKPEQBABNO-QWRGUYRKSA-N 1 1 277.324 1.759 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000338071424 358735673 /nfs/dbraw/zinc/73/56/73/358735673.db2.gz CXKDTBJYFOBJMX-SNVBAGLBSA-N 1 1 295.343 1.088 20 5 CDBDMO COc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450778291 359001293 /nfs/dbraw/zinc/00/12/93/359001293.db2.gz LTRRHNMWEXJOPB-GXFFZTMASA-N 1 1 277.324 1.744 20 5 CDBDMO Cc1nn(C)c(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000227009936 359339112 /nfs/dbraw/zinc/33/91/12/359339112.db2.gz IYPYDEUPYWZYSA-MRVPVSSYSA-N 1 1 267.333 1.531 20 5 CDBDMO Cc1ccc(NC[C@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000080611186 361314454 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1.675 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1 ZINC000110490042 365051420 /nfs/dbraw/zinc/05/14/20/365051420.db2.gz FNFYPADALJCYQX-VXGBXAGGSA-N 1 1 278.312 1.265 20 5 CDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000270507536 366891108 /nfs/dbraw/zinc/89/11/08/366891108.db2.gz RDQTXXRJTFZRPD-WDEREUQCSA-N 1 1 268.317 1.027 20 5 CDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000272427177 367731853 /nfs/dbraw/zinc/73/18/53/367731853.db2.gz HEXQFRAFOQZRAU-VHSXEESVSA-N 1 1 295.364 1.823 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000272427177 367731856 /nfs/dbraw/zinc/73/18/56/367731856.db2.gz HEXQFRAFOQZRAU-VHSXEESVSA-N 1 1 295.364 1.823 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC(N)=O ZINC000348832651 368070007 /nfs/dbraw/zinc/07/00/07/368070007.db2.gz KEQTYWATWHWZFD-DHZHZOJOSA-N 1 1 277.324 1.805 20 5 CDBDMO Nc1nc(N[C@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190522 368334622 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Cc1nn(CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000295396650 370164511 /nfs/dbraw/zinc/16/45/11/370164511.db2.gz RLWNJIMIZPTCLG-LLVKDONJSA-N 1 1 252.318 1.974 20 5 CDBDMO C[C@H]([NH3+])[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861973 370426525 /nfs/dbraw/zinc/42/65/25/370426525.db2.gz MRJQEXLEAVDGTE-RYUDHWBXSA-N 1 1 279.340 1.643 20 5 CDBDMO C[C@@H](CN)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414937640 371144629 /nfs/dbraw/zinc/14/46/29/371144629.db2.gz DKHVHJZRKMNJIV-JTQLQIEISA-N 1 1 289.339 1.432 20 5 CDBDMO CN1CCNC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971850 371128894 /nfs/dbraw/zinc/12/88/94/371128894.db2.gz WXDVRRHDOKNZFC-YVZNUBBCSA-N 1 1 290.367 1.101 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356614156 372984708 /nfs/dbraw/zinc/98/47/08/372984708.db2.gz UCBXZCSFTXITKY-ONGXEEELSA-N 1 1 293.323 1.513 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356614156 372984711 /nfs/dbraw/zinc/98/47/11/372984711.db2.gz UCBXZCSFTXITKY-ONGXEEELSA-N 1 1 293.323 1.513 20 5 CDBDMO COC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647257 373301631 /nfs/dbraw/zinc/30/16/31/373301631.db2.gz LDXRCDSKLBLJJS-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347099036 373754731 /nfs/dbraw/zinc/75/47/31/373754731.db2.gz JDCZQDJXYVXTNO-CMPLNLGQSA-N 1 1 278.308 1.978 20 5 CDBDMO CCc1nn(C)c(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000091559888 374039905 /nfs/dbraw/zinc/03/99/05/374039905.db2.gz IKHFGCGYFVOAET-UHFFFAOYSA-N 1 1 269.349 1.643 20 5 CDBDMO COCCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537971 374273948 /nfs/dbraw/zinc/27/39/48/374273948.db2.gz UFOCWPZOSBGAJR-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO C[C@@H]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000422638198 374354893 /nfs/dbraw/zinc/35/48/93/374354893.db2.gz PXKZKJSIPKPLPM-WOPDTQHZSA-N 1 1 281.360 1.097 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000375695961 374507560 /nfs/dbraw/zinc/50/75/60/374507560.db2.gz GFNRLSJQHRXLEE-NEPJUHHUSA-N 1 1 292.339 1.452 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000081555001 374519197 /nfs/dbraw/zinc/51/91/97/374519197.db2.gz OVEDZUSZANMJRW-SNVBAGLBSA-N 1 1 265.313 1.409 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582628 374868894 /nfs/dbraw/zinc/86/88/94/374868894.db2.gz KAZKGVDRCMWGIR-CHWSQXEVSA-N 1 1 293.367 1.998 20 5 CDBDMO CC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331262198 374918319 /nfs/dbraw/zinc/91/83/19/374918319.db2.gz CVEBOFNILCVOGJ-ZYHUDNBSSA-N 1 1 268.317 1.027 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000331318074 374928814 /nfs/dbraw/zinc/92/88/14/374928814.db2.gz GVWICBBLWQHJFB-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000331318074 374928820 /nfs/dbraw/zinc/92/88/20/374928820.db2.gz GVWICBBLWQHJFB-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331246087 374915061 /nfs/dbraw/zinc/91/50/61/374915061.db2.gz MCHRFLQFUKGXMN-OLZOCXBDSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069847184 378915248 /nfs/dbraw/zinc/91/52/48/378915248.db2.gz XKMCTKSWKMCYLV-LBPRGKRZSA-N 1 1 278.356 1.643 20 5 CDBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000278619574 194072556 /nfs/dbraw/zinc/07/25/56/194072556.db2.gz FQUZRRNGJNIDQL-NOZJJQNGSA-N 1 1 295.295 1.706 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1O ZINC000278619574 194072557 /nfs/dbraw/zinc/07/25/57/194072557.db2.gz FQUZRRNGJNIDQL-NOZJJQNGSA-N 1 1 295.295 1.706 20 5 CDBDMO CCC[C@@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000444767743 250184194 /nfs/dbraw/zinc/18/41/94/250184194.db2.gz ULYOQJRUGYFFSX-ZDUSSCGKSA-N 1 1 282.344 1.418 20 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/nfs/dbraw/zinc/16/41/42/285164142.db2.gz PUTMJFOHMKKVRB-UHFFFAOYSA-N 1 1 273.296 1.645 20 5 CDBDMO Cc1ccc(C[N@H+](C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421400391 390636336 /nfs/dbraw/zinc/63/63/36/390636336.db2.gz BSUVIRGTERHXET-ZDUSSCGKSA-N 1 1 282.340 1.467 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517443815 391140910 /nfs/dbraw/zinc/14/09/10/391140910.db2.gz GMLDTOARKNQJLH-SNVBAGLBSA-N 1 1 280.328 1.005 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947116 391494099 /nfs/dbraw/zinc/49/40/99/391494099.db2.gz BCKGQNKJXUPJHJ-SNVBAGLBSA-N 1 1 265.317 1.304 20 5 CDBDMO C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341921787 130131260 /nfs/dbraw/zinc/13/12/60/130131260.db2.gz UZUJNGGFZIHESV-SUNKGSAMSA-N 1 1 291.351 1.970 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000590762100 391922705 /nfs/dbraw/zinc/92/27/05/391922705.db2.gz AAXYSUWMOUOWIR-ZWNOBZJWSA-N 1 1 293.323 1.013 20 5 CDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000590762100 391922712 /nfs/dbraw/zinc/92/27/12/391922712.db2.gz AAXYSUWMOUOWIR-ZWNOBZJWSA-N 1 1 293.323 1.013 20 5 CDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192460955 392078126 /nfs/dbraw/zinc/07/81/26/392078126.db2.gz CPFGQNZVUDSZRS-VIFPVBQESA-N 1 1 270.358 1.828 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192460955 392078134 /nfs/dbraw/zinc/07/81/34/392078134.db2.gz CPFGQNZVUDSZRS-VIFPVBQESA-N 1 1 270.358 1.828 20 5 CDBDMO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195507652 130745108 /nfs/dbraw/zinc/74/51/08/130745108.db2.gz NRVIBFHLRSJYJY-UHFFFAOYSA-N 1 1 256.331 1.583 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000267463594 131874650 /nfs/dbraw/zinc/87/46/50/131874650.db2.gz UAQCLZMFHPRKTB-UHFFFAOYSA-N 1 1 268.313 1.690 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269170717 132124364 /nfs/dbraw/zinc/12/43/64/132124364.db2.gz HJQJMOHSFJVPCV-LLVKDONJSA-N 1 1 293.323 1.467 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749297 392954596 /nfs/dbraw/zinc/95/45/96/392954596.db2.gz HAHWKJHLVJXVIT-SNVBAGLBSA-N 1 1 267.333 1.533 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)C1 ZINC000430195209 393090963 /nfs/dbraw/zinc/09/09/63/393090963.db2.gz NHTVPBCKTBDCDA-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC)C1 ZINC000430195209 393090969 /nfs/dbraw/zinc/09/09/69/393090969.db2.gz NHTVPBCKTBDCDA-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000430198148 393091539 /nfs/dbraw/zinc/09/15/39/393091539.db2.gz YBSMTTRBDJPWLV-WDEREUQCSA-N 1 1 298.339 1.167 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000531520068 393063055 /nfs/dbraw/zinc/06/30/55/393063055.db2.gz NRUGFWLELMAZLC-LBPRGKRZSA-N 1 1 289.335 1.431 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431943 135106921 /nfs/dbraw/zinc/10/69/21/135106921.db2.gz VLHNSDWKNXXYJO-OLZOCXBDSA-N 1 1 293.367 1.795 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251890652 140314488 /nfs/dbraw/zinc/31/44/88/140314488.db2.gz XAIUYSPUMBHSSP-GXFFZTMASA-N 1 1 250.298 1.798 20 5 CDBDMO C[C@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000176226249 148028486 /nfs/dbraw/zinc/02/84/86/148028486.db2.gz JCXZQEJCFIGJOP-LBPRGKRZSA-N 1 1 296.371 1.807 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997429 151988490 /nfs/dbraw/zinc/98/84/90/151988490.db2.gz FUALUFYEVRZOJS-FZMZJTMJSA-N 1 1 291.351 1.451 20 5 CDBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343483234 152197629 /nfs/dbraw/zinc/19/76/29/152197629.db2.gz UYXQDGMRVAPAGO-GXSJLCMTSA-N 1 1 250.302 1.884 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000343992542 152381367 /nfs/dbraw/zinc/38/13/67/152381367.db2.gz YHVPKQFUFNKVEU-NSHDSACASA-N 1 1 264.329 1.698 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352203268 155019637 /nfs/dbraw/zinc/01/96/37/155019637.db2.gz QHYOBUOTNXQTDI-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352203268 155019644 /nfs/dbraw/zinc/01/96/44/155019644.db2.gz QHYOBUOTNXQTDI-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354042770 156237268 /nfs/dbraw/zinc/23/72/68/156237268.db2.gz RMOVDZMOTNDGMG-WCQYABFASA-N 1 1 296.371 1.520 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CO ZINC000362073427 159060345 /nfs/dbraw/zinc/06/03/45/159060345.db2.gz WKUFJKZGZKNLGZ-UWVGGRQHSA-N 1 1 291.307 1.796 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362090280 159067850 /nfs/dbraw/zinc/06/78/50/159067850.db2.gz MUOXSACJUTVWCO-GXFFZTMASA-N 1 1 264.325 1.963 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000362494188 159160390 /nfs/dbraw/zinc/16/03/90/159160390.db2.gz GXRKZRBTMRIUNV-NSHDSACASA-N 1 1 294.355 1.631 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236615 196228669 /nfs/dbraw/zinc/22/86/69/196228669.db2.gz GHZJQFMYRSKQOW-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285548305 196323763 /nfs/dbraw/zinc/32/37/63/196323763.db2.gz DTLZREFKTAXPHD-JTQLQIEISA-N 1 1 295.343 1.026 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727878 177377685 /nfs/dbraw/zinc/37/76/85/177377685.db2.gz YENIGZXPBRQSDW-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525804902 262367412 /nfs/dbraw/zinc/36/74/12/262367412.db2.gz VPQZWSWIEFKBMU-LLVKDONJSA-N 1 1 291.351 1.975 20 5 CDBDMO COC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842779 270313016 /nfs/dbraw/zinc/31/30/16/270313016.db2.gz WXWWMKSTAJQXDN-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO COC(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)OC ZINC000136735317 274012567 /nfs/dbraw/zinc/01/25/67/274012567.db2.gz OUBONCRANNLRFF-UHFFFAOYSA-N 1 1 295.339 1.336 20 5 CDBDMO COCC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266125823 274030737 /nfs/dbraw/zinc/03/07/37/274030737.db2.gz BKTIHMSPMXMNRK-UHFFFAOYSA-N 1 1 295.339 1.372 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000278478757 274724276 /nfs/dbraw/zinc/72/42/76/274724276.db2.gz FEFCZESHZKTBGK-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](C3CC3)C2)nc2sccn21 ZINC000044417290 275032785 /nfs/dbraw/zinc/03/27/85/275032785.db2.gz NFOAQBIWGYIEDS-QMMMGPOBSA-N 1 1 293.352 1.953 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293546480 276136001 /nfs/dbraw/zinc/13/60/01/276136001.db2.gz YPDZOWJQLZAHQD-NWDGAFQWSA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c([N+](=O)[O-])ncn1C ZINC000365920792 276234331 /nfs/dbraw/zinc/23/43/31/276234331.db2.gz MCJLVTSQQLFWDU-NEPJUHHUSA-N 1 1 293.371 1.387 20 5 CDBDMO CCOc1cccc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000302193797 276381187 /nfs/dbraw/zinc/38/11/87/276381187.db2.gz WMBKVZZMSYXXGY-UHFFFAOYSA-N 1 1 265.313 1.745 20 5 CDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000291080787 279118721 /nfs/dbraw/zinc/11/87/21/279118721.db2.gz IDDIRKVMXWLENV-DGCLKSJQSA-N 1 1 292.339 1.289 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602523 279149147 /nfs/dbraw/zinc/14/91/47/279149147.db2.gz RULAYIIWJUXIJE-GFCCVEGCSA-N 1 1 266.297 1.429 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551584 279279329 /nfs/dbraw/zinc/27/93/29/279279329.db2.gz WYYNHZBNVKUPAZ-LBPRGKRZSA-N 1 1 295.339 1.115 20 5 CDBDMO C[C@H](CO)[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248881729 280390614 /nfs/dbraw/zinc/39/06/14/280390614.db2.gz DGPJPATXKGYXKS-MNOVXSKESA-N 1 1 268.313 1.158 20 5 CDBDMO CCC(CC)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000524758523 281113674 /nfs/dbraw/zinc/11/36/74/281113674.db2.gz BLALATAABUUERM-CQSZACIVSA-N 1 1 296.371 1.805 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000583126339 325111061 /nfs/dbraw/zinc/11/10/61/325111061.db2.gz DJTURWSIHIRBKJ-NSHDSACASA-N 1 1 294.355 1.490 20 5 CDBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000065208981 519650435 /nfs/dbraw/zinc/65/04/35/519650435.db2.gz DURCQVIKKZFZKA-UHFFFAOYSA-N 1 1 281.312 1.169 20 5 CDBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304316612 533733332 /nfs/dbraw/zinc/73/33/32/533733332.db2.gz OQNVLSUAKNMOFG-YRGRVCCFSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000054460281 521657390 /nfs/dbraw/zinc/65/73/90/521657390.db2.gz ZALQXLATHAEDKH-NSHDSACASA-N 1 1 292.339 1.512 20 5 CDBDMO COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000184237291 522383317 /nfs/dbraw/zinc/38/33/17/522383317.db2.gz GXCLNIIKVJXYAD-UHFFFAOYSA-N 1 1 283.303 1.490 20 5 CDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176240436 535997982 /nfs/dbraw/zinc/99/79/82/535997982.db2.gz XQDSIUAUDVHZIQ-RYUDHWBXSA-N 1 1 282.344 1.417 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000772300877 575682845 /nfs/dbraw/zinc/68/28/45/575682845.db2.gz JDWDJTCZLDILHC-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000772300877 575682848 /nfs/dbraw/zinc/68/28/48/575682848.db2.gz JDWDJTCZLDILHC-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO COc1cc(CN2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000766845912 576139128 /nfs/dbraw/zinc/13/91/28/576139128.db2.gz GVUGUTBXKUKVEL-SNVBAGLBSA-N 1 1 297.330 1.878 20 5 CDBDMO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000742197656 576586740 /nfs/dbraw/zinc/58/67/40/576586740.db2.gz UUZMEODOIUIJOA-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000742197656 576586742 /nfs/dbraw/zinc/58/67/42/576586742.db2.gz UUZMEODOIUIJOA-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000892555159 617500537 /nfs/dbraw/zinc/50/05/37/617500537.db2.gz QVMJYPUQRBSYJN-NSHDSACASA-N 1 1 294.355 1.776 20 5 CDBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893913033 618170941 /nfs/dbraw/zinc/17/09/41/618170941.db2.gz AONNZMGBJBFWTL-SECBINFHSA-N 1 1 255.322 1.469 20 5 CDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928556194 619366661 /nfs/dbraw/zinc/36/66/61/619366661.db2.gz NQOIBPRFKZOWPP-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928556194 619366663 /nfs/dbraw/zinc/36/66/63/619366663.db2.gz NQOIBPRFKZOWPP-SNVBAGLBSA-N 1 1 293.323 1.427 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928568212 619406605 /nfs/dbraw/zinc/40/66/05/619406605.db2.gz NRWSSDVRLDGAJU-LLVKDONJSA-N 1 1 292.339 1.095 20 5 CDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928568212 619406606 /nfs/dbraw/zinc/40/66/06/619406606.db2.gz NRWSSDVRLDGAJU-LLVKDONJSA-N 1 1 292.339 1.095 20 5 CDBDMO C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895245501 619486452 /nfs/dbraw/zinc/48/64/52/619486452.db2.gz BAMVJGXOQCLNEY-CMPLNLGQSA-N 1 1 279.344 1.036 20 5 CDBDMO Cc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000905089162 626605228 /nfs/dbraw/zinc/60/52/28/626605228.db2.gz MCJBCZFYFVOHFX-GFCCVEGCSA-N 1 1 267.329 1.591 20 5 CDBDMO C[NH+](C)CCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905230327 626685110 /nfs/dbraw/zinc/68/51/10/626685110.db2.gz PEQPDVRAFKJEHJ-UHFFFAOYSA-N 1 1 251.330 1.157 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335711 1162339433 /nfs/dbraw/zinc/33/94/33/1162339433.db2.gz QMDZUWJQSYVCOT-XHDPSFHLSA-N 1 1 294.351 1.991 20 5 CDBDMO COc1ccnc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001167782219 1159675386 /nfs/dbraw/zinc/67/53/86/1159675386.db2.gz SONYZNOOSKXKQY-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@H]2C1 ZINC000865732774 1164685912 /nfs/dbraw/zinc/68/59/12/1164685912.db2.gz JHGSAMOAEVNHLE-PHIMTYICSA-N 1 1 295.314 1.224 20 5 CDBDMO COc1cnc(NCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001156006602 1167284671 /nfs/dbraw/zinc/28/46/71/1167284671.db2.gz CLFNFNZIOMQMIL-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001752727005 1184902287 /nfs/dbraw/zinc/90/22/87/1184902287.db2.gz ZGJBTWWQEYXHSB-YVECIDJPSA-N 1 1 297.399 1.715 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632191 719176998 /nfs/dbraw/zinc/17/69/98/719176998.db2.gz DEASHRVTUUVGPQ-IUCAKERBSA-N 1 1 295.299 1.427 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632191 719177001 /nfs/dbraw/zinc/17/70/01/719177001.db2.gz DEASHRVTUUVGPQ-IUCAKERBSA-N 1 1 295.299 1.427 20 5 CDBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886234108 735395250 /nfs/dbraw/zinc/39/52/50/735395250.db2.gz GHZBYCFKITXELG-LBPRGKRZSA-N 1 1 279.340 1.973 20 5 CDBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000830103492 735423750 /nfs/dbraw/zinc/42/37/50/735423750.db2.gz UBNVXBPWYBMMSO-ZYHUDNBSSA-N 1 1 297.267 1.006 20 5 CDBDMO Nc1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000828422991 735820291 /nfs/dbraw/zinc/82/02/91/735820291.db2.gz SQFIRZFGDXGQCY-GFCCVEGCSA-N 1 1 294.355 1.436 20 5 CDBDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC[N+](=O)[O-])C[C@@H]2C1 ZINC000930297819 736279131 /nfs/dbraw/zinc/27/91/31/736279131.db2.gz DWJHCDXGVBOIIU-PHIMTYICSA-N 1 1 285.344 1.062 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)CO ZINC000126046488 733404538 /nfs/dbraw/zinc/40/45/38/733404538.db2.gz SPGYEGPZIDAUMN-UHFFFAOYSA-N 1 1 256.277 1.937 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581267 733467467 /nfs/dbraw/zinc/46/74/67/733467467.db2.gz GIAJPMIESNXSQR-KGLIPLIRSA-N 1 1 280.324 1.739 20 5 CDBDMO CCn1ccnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819343596 733681425 /nfs/dbraw/zinc/68/14/25/733681425.db2.gz NWVHMJOSTLOMOX-CYBMUJFWSA-N 1 1 290.323 1.634 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)n1 ZINC000886626718 733794358 /nfs/dbraw/zinc/79/43/58/733794358.db2.gz JLVMVIZTLJEIIO-DGCLKSJQSA-N 1 1 280.328 1.028 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176160317 733821183 /nfs/dbraw/zinc/82/11/83/733821183.db2.gz ZYBVBSLLWFONMV-UHFFFAOYSA-N 1 1 295.314 1.820 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000886252253 733874195 /nfs/dbraw/zinc/87/41/95/733874195.db2.gz YIYRZQKOUXJRQV-LBPRGKRZSA-N 1 1 279.340 1.974 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794855521 733884209 /nfs/dbraw/zinc/88/42/09/733884209.db2.gz XDXDBFUUIDQCKU-GDNZZTSVSA-N 1 1 282.727 1.918 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794855521 733884213 /nfs/dbraw/zinc/88/42/13/733884213.db2.gz XDXDBFUUIDQCKU-GDNZZTSVSA-N 1 1 282.727 1.918 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886575107 734014393 /nfs/dbraw/zinc/01/43/93/734014393.db2.gz FXVFTBKNOLGNMI-ATGSNQNLSA-N 1 1 292.335 1.331 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000129253110 734120586 /nfs/dbraw/zinc/12/05/86/734120586.db2.gz KZUALTDXNJUBAJ-VXGBXAGGSA-N 1 1 279.344 1.165 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCOCC2)cc1F ZINC000801547060 734136102 /nfs/dbraw/zinc/13/61/02/734136102.db2.gz DYLNMWMXKAKILJ-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000882002495 734194731 /nfs/dbraw/zinc/19/47/31/734194731.db2.gz MYPPOWNXAKPSOX-SNVBAGLBSA-N 1 1 298.318 1.509 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886314288 734220111 /nfs/dbraw/zinc/22/01/11/734220111.db2.gz RQQGIVLEOVYXMR-GFCCVEGCSA-N 1 1 279.340 1.973 20 5 CDBDMO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401258 734336447 /nfs/dbraw/zinc/33/64/47/734336447.db2.gz RVRMIVQXSFAJRJ-VXGBXAGGSA-N 1 1 291.351 1.766 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808231109 734510878 /nfs/dbraw/zinc/51/08/78/734510878.db2.gz XYOFRKQOHFOXGU-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808231109 734510884 /nfs/dbraw/zinc/51/08/84/734510884.db2.gz XYOFRKQOHFOXGU-NSHDSACASA-N 1 1 250.302 1.871 20 5 CDBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587129 734517066 /nfs/dbraw/zinc/51/70/66/734517066.db2.gz UKFLMKIXPGBUSK-SUNKGSAMSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587129 734517072 /nfs/dbraw/zinc/51/70/72/734517072.db2.gz UKFLMKIXPGBUSK-SUNKGSAMSA-N 1 1 280.324 1.737 20 5 CDBDMO CON1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846978576 734544745 /nfs/dbraw/zinc/54/47/45/734544745.db2.gz UWSOVXNVBJDPRI-UHFFFAOYSA-N 1 1 295.339 1.543 20 5 CDBDMO CC(C)O[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886263734 734899425 /nfs/dbraw/zinc/89/94/25/734899425.db2.gz FOWLSMGYLZLHLH-GFCCVEGCSA-N 1 1 265.313 1.989 20 5 CDBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886263734 734899429 /nfs/dbraw/zinc/89/94/29/734899429.db2.gz FOWLSMGYLZLHLH-GFCCVEGCSA-N 1 1 265.313 1.989 20 5 CDBDMO O=[N+]([O-])CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000929796361 735034761 /nfs/dbraw/zinc/03/47/61/735034761.db2.gz ABVDHOYTIASZTB-ZDUSSCGKSA-N 1 1 250.298 1.245 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000886480239 735093261 /nfs/dbraw/zinc/09/32/61/735093261.db2.gz BYGJXTCZACNFOQ-MGPQQGTHSA-N 1 1 280.324 1.473 20 5 CDBDMO O=C1[C@H]([N@H+]2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345418 735132375 /nfs/dbraw/zinc/13/23/75/735132375.db2.gz ZSQKEBJLWJEFMM-UHIISALHSA-N 1 1 287.319 1.652 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081337 735212324 /nfs/dbraw/zinc/21/23/24/735212324.db2.gz MIORNBXCHLSNDK-NSHDSACASA-N 1 1 279.296 1.517 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886081337 735212331 /nfs/dbraw/zinc/21/23/31/735212331.db2.gz MIORNBXCHLSNDK-NSHDSACASA-N 1 1 279.296 1.517 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929964137 735562108 /nfs/dbraw/zinc/56/21/08/735562108.db2.gz BRSJDFJAPJCUFP-FRRDWIJNSA-N 1 1 255.362 1.600 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)OCCO2 ZINC001173227300 912322795 /nfs/dbraw/zinc/32/27/95/912322795.db2.gz PLWYAQCXBNDEIO-GFCCVEGCSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2nncc2C1 ZINC001173234248 912325193 /nfs/dbraw/zinc/32/51/93/912325193.db2.gz QNBCYWXZRVVSFI-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2nncc2C1 ZINC001173234248 912325211 /nfs/dbraw/zinc/32/52/11/912325211.db2.gz QNBCYWXZRVVSFI-LLVKDONJSA-N 1 1 287.323 1.633 20 5 CDBDMO COC1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230418 912326088 /nfs/dbraw/zinc/32/60/88/912326088.db2.gz YBSYPENNYXHUPX-JTQLQIEISA-N 1 1 250.298 1.856 20 5 CDBDMO COc1cnc(N2CCc3[nH+]ccn3CC2)c([N+](=O)[O-])c1 ZINC001167182545 894816541 /nfs/dbraw/zinc/81/65/41/894816541.db2.gz MHKHXFNJANLSIV-UHFFFAOYSA-N 1 1 289.295 1.258 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])cn1 ZINC001167780779 900507384 /nfs/dbraw/zinc/50/73/84/900507384.db2.gz BRNSYFQLHLESKO-UHFFFAOYSA-N 1 1 260.257 1.283 20 5 CDBDMO C[N@H+]1CCC[C@@H](OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224108890 909165596 /nfs/dbraw/zinc/16/55/96/909165596.db2.gz MGMYVSLCSBXOEC-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC(C)c1nc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168964751 927587656 /nfs/dbraw/zinc/58/76/56/927587656.db2.gz VRFRHRAEASTGNK-VHSXEESVSA-N 1 1 268.317 1.728 20 5 CDBDMO CCCO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169027017 927632215 /nfs/dbraw/zinc/63/22/15/927632215.db2.gz OSLAGICKGBXCCV-YNEHKIRRSA-N 1 1 256.346 1.933 20 5 CDBDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)N1C ZINC001169038417 927650506 /nfs/dbraw/zinc/65/05/06/927650506.db2.gz YSNZHVISCVJGSO-XQHKEYJVSA-N 1 1 255.362 1.456 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC(Oc3cccnc3)C2)C1 ZINC001169025040 927663197 /nfs/dbraw/zinc/66/31/97/927663197.db2.gz IPABVDFTHYQLTD-NEPJUHHUSA-N 1 1 277.324 1.590 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cnccn3)C2)C1 ZINC001169052445 927668654 /nfs/dbraw/zinc/66/86/54/927668654.db2.gz FXVPMPAWFGRZRO-AGIUHOORSA-N 1 1 292.339 1.375 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055778 927671558 /nfs/dbraw/zinc/67/15/58/927671558.db2.gz QGESFCKOWWOOJS-PWSUYJOCSA-N 1 1 250.302 1.354 20 5 CDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169057963 927674742 /nfs/dbraw/zinc/67/47/42/927674742.db2.gz ZOMJOUBKCLKMCA-DMDPSCGWSA-N 1 1 270.329 1.317 20 5 CDBDMO COc1ccc(CN2CCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000931527714 933582864 /nfs/dbraw/zinc/58/28/64/933582864.db2.gz YZYIAGVTIGPWBI-UHFFFAOYSA-N 1 1 274.280 1.820 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272551 938473536 /nfs/dbraw/zinc/47/35/36/938473536.db2.gz OHBYWCWWRKCWSM-BXKDBHETSA-N 1 1 277.328 1.102 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCC[N@@H+]1C ZINC001160971205 938853135 /nfs/dbraw/zinc/85/31/35/938853135.db2.gz ZAWNVTLGLOAPJS-LLVKDONJSA-N 1 1 280.328 1.433 20 5 CDBDMO C[N@@H+]1CCO[C@@H](CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162688552 939118323 /nfs/dbraw/zinc/11/83/23/939118323.db2.gz RBGGQEAPNARACD-LBPRGKRZSA-N 1 1 290.323 1.819 20 5 CDBDMO C[N@H+]1CCO[C@@H](CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001162688552 939118324 /nfs/dbraw/zinc/11/83/24/939118324.db2.gz RBGGQEAPNARACD-LBPRGKRZSA-N 1 1 290.323 1.819 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NCCn1cc[nH+]c1C ZINC001163917167 939351323 /nfs/dbraw/zinc/35/13/23/939351323.db2.gz XACKNPROAUARNS-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230383 939839952 /nfs/dbraw/zinc/83/99/52/939839952.db2.gz PIMXIRDMDLWGOF-CHWSQXEVSA-N 1 1 283.372 1.280 20 5 CDBDMO COc1cc(CO[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223393093 941674675 /nfs/dbraw/zinc/67/46/75/941674675.db2.gz KBVGGFDZPIAEPJ-LBPRGKRZSA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225905058 941927328 /nfs/dbraw/zinc/92/73/28/941927328.db2.gz OIOCUBSFQYRRFC-DRCTWCGVSA-N 1 1 294.282 1.917 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(F)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001225905058 941927330 /nfs/dbraw/zinc/92/73/30/941927330.db2.gz OIOCUBSFQYRRFC-DRCTWCGVSA-N 1 1 294.282 1.917 20 5 CDBDMO O=[N+]([O-])c1cncnc1OC1CC[NH+](CCF)CC1 ZINC001228657728 942350477 /nfs/dbraw/zinc/35/04/77/942350477.db2.gz QILWFKBEQNUKQO-UHFFFAOYSA-N 1 1 270.264 1.198 20 5 CDBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228769704 942373426 /nfs/dbraw/zinc/37/34/26/942373426.db2.gz YATDQBDCAFPNFW-NSHDSACASA-N 1 1 280.280 1.464 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230312165 942604398 /nfs/dbraw/zinc/60/43/98/942604398.db2.gz DDOUHTUBEKPTID-SECBINFHSA-N 1 1 281.268 1.976 20 5 CDBDMO COc1ccc2nc(=O)[nH]c(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001230861458 942715953 /nfs/dbraw/zinc/71/59/53/942715953.db2.gz AORXIYQOXOSPML-SNVBAGLBSA-O 1 1 292.359 1.818 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2c(C)nccc2[N+](=O)[O-])C1 ZINC001234901723 943968153 /nfs/dbraw/zinc/96/81/53/943968153.db2.gz QXOMFXGSCMNCHE-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H]1C ZINC001254553732 947525850 /nfs/dbraw/zinc/52/58/50/947525850.db2.gz XYDLWLXXZPCWPE-NQBHXWOUSA-N 1 1 264.325 1.981 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ncc(F)cn1)C2 ZINC001254573399 947532474 /nfs/dbraw/zinc/53/24/74/947532474.db2.gz ZEUJEGYQJPZNHX-GFCCVEGCSA-N 1 1 288.282 1.781 20 5 CDBDMO C[N@@H+]([C@@H]1CCOC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599002 947545085 /nfs/dbraw/zinc/54/50/85/947545085.db2.gz JDTXXELGYWIBHH-ZIAGYGMSSA-N 1 1 262.309 1.783 20 5 CDBDMO NC[C@]1(F)CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572797 948295733 /nfs/dbraw/zinc/29/57/33/948295733.db2.gz BIGDWEADDUWPAJ-JHJVBQTASA-N 1 1 273.352 1.585 20 5 CDBDMO [NH3+]C[C@]1(F)CCCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572797 948295741 /nfs/dbraw/zinc/29/57/41/948295741.db2.gz BIGDWEADDUWPAJ-JHJVBQTASA-N 1 1 273.352 1.585 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327054373 954681435 /nfs/dbraw/zinc/68/14/35/954681435.db2.gz SYIFYYWBQKTCKV-AWEZNQCLSA-N 1 1 279.340 1.223 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001328393766 955282819 /nfs/dbraw/zinc/28/28/19/955282819.db2.gz JODWTJWHPCFYDX-GHMZBOCLSA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001328393766 955282827 /nfs/dbraw/zinc/28/28/27/955282827.db2.gz JODWTJWHPCFYDX-GHMZBOCLSA-N 1 1 281.312 1.892 20 5 CDBDMO CC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001305870354 956282461 /nfs/dbraw/zinc/28/24/61/956282461.db2.gz HALMGEOESPXJCF-NXEZZACHSA-N 1 1 269.345 1.031 20 5 CDBDMO O=[N+]([O-])CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001308086946 956465349 /nfs/dbraw/zinc/46/53/49/956465349.db2.gz KOQXCOQNWONACQ-CVEARBPZSA-N 1 1 289.379 1.717 20 5 CDBDMO Cc1nc(NC[C@@H]2CCCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001336764601 960561433 /nfs/dbraw/zinc/56/14/33/960561433.db2.gz MHSKKTJEEKEKGW-JTQLQIEISA-N 1 1 265.317 1.589 20 5 CDBDMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001522828439 970580790 /nfs/dbraw/zinc/58/07/90/970580790.db2.gz ZNVSXYXXHLOSHT-JTQLQIEISA-N 1 1 263.297 1.793 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000601114931 342471768 /nfs/dbraw/zinc/47/17/68/342471768.db2.gz BHAWBNJQTRXSMT-VIFPVBQESA-N 1 1 271.342 1.789 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000590720121 342585884 /nfs/dbraw/zinc/58/58/84/342585884.db2.gz XVPFTFPUDHPJEN-SFYZADRCSA-N 1 1 254.315 1.192 20 5 CDBDMO Cn1c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600310092 342060966 /nfs/dbraw/zinc/06/09/66/342060966.db2.gz FXUIBRHHKUGVMR-NSHDSACASA-N 1 1 294.355 1.395 20 5 CDBDMO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591281653 342624369 /nfs/dbraw/zinc/62/43/69/342624369.db2.gz IUPMYCYFDJAXMW-RYUDHWBXSA-N 1 1 267.304 1.693 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046878689 342132319 /nfs/dbraw/zinc/13/23/19/342132319.db2.gz VZHIQNPEIVAFSP-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000592129336 342667613 /nfs/dbraw/zinc/66/76/13/342667613.db2.gz YEEMQWXWKVEARH-NXEZZACHSA-N 1 1 296.298 1.975 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000592129336 342667614 /nfs/dbraw/zinc/66/76/14/342667614.db2.gz YEEMQWXWKVEARH-NXEZZACHSA-N 1 1 296.298 1.975 20 5 CDBDMO C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CC[NH3+] ZINC000593730806 342830257 /nfs/dbraw/zinc/83/02/57/342830257.db2.gz HHQJASITFUEGBU-NEPJUHHUSA-N 1 1 281.360 1.241 20 5 CDBDMO Nc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594602499 342924308 /nfs/dbraw/zinc/92/43/08/342924308.db2.gz QSXLDDZRHLMWMC-VHSXEESVSA-N 1 1 292.343 1.226 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNC(=O)C1 ZINC000595483366 343065376 /nfs/dbraw/zinc/06/53/76/343065376.db2.gz GLHIOXQKBUNERT-NSHDSACASA-N 1 1 277.324 1.205 20 5 CDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503695 343079163 /nfs/dbraw/zinc/07/91/63/343079163.db2.gz AGGCBDHNQBFOBG-CQSZACIVSA-N 1 1 293.371 1.209 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000078563443 342338389 /nfs/dbraw/zinc/33/83/89/342338389.db2.gz YKWVLFZCPZAKTN-LBPRGKRZSA-N 1 1 295.387 1.805 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595767642 343146198 /nfs/dbraw/zinc/14/61/98/343146198.db2.gz ZQJOBZHBKOVNOL-JOYOIKCWSA-N 1 1 293.323 1.039 20 5 CDBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C(F)(F)F)cs1 ZINC000225587509 365712631 /nfs/dbraw/zinc/71/26/31/365712631.db2.gz RZCNCLCUXRLFES-ZCFIWIBFSA-N 1 1 270.232 1.669 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596112914 343230356 /nfs/dbraw/zinc/23/03/56/343230356.db2.gz WQWXULWLVNNBNW-SECBINFHSA-N 1 1 278.312 1.057 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142258877 342434736 /nfs/dbraw/zinc/43/47/36/342434736.db2.gz HSUKZIRXQOOQIG-AWEZNQCLSA-N 1 1 289.335 1.905 20 5 CDBDMO Cc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1[N+](=O)[O-] ZINC000597206660 343474172 /nfs/dbraw/zinc/47/41/72/343474172.db2.gz PYXMVZBCWOXBOK-UHFFFAOYSA-N 1 1 280.324 1.222 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579003 349810414 /nfs/dbraw/zinc/81/04/14/349810414.db2.gz YONFMWHVWXUSJH-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000597249507 343498665 /nfs/dbraw/zinc/49/86/65/343498665.db2.gz KYEDNQNTEVMNJS-HWKANZROSA-N 1 1 285.307 1.784 20 5 CDBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nn[nH]c2C1 ZINC000597249507 343498667 /nfs/dbraw/zinc/49/86/67/343498667.db2.gz KYEDNQNTEVMNJS-HWKANZROSA-N 1 1 285.307 1.784 20 5 CDBDMO CON1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602840491 344621827 /nfs/dbraw/zinc/62/18/27/344621827.db2.gz IKXWISVZZLZFTR-UHFFFAOYSA-N 1 1 297.359 1.057 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000602912346 344646381 /nfs/dbraw/zinc/64/63/81/344646381.db2.gz JIDPKEOPRRAEAH-LBPRGKRZSA-N 1 1 296.371 1.583 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344048926 362539582 /nfs/dbraw/zinc/53/95/82/362539582.db2.gz ZHHUCHGNYBCBSJ-PKFCDNJMSA-N 1 1 280.299 1.937 20 5 CDBDMO COC[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265776497 362602524 /nfs/dbraw/zinc/60/25/24/362602524.db2.gz JQNTUCVWOAMMFE-GFCCVEGCSA-N 1 1 280.324 1.942 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000610476227 346288743 /nfs/dbraw/zinc/28/87/43/346288743.db2.gz IUVLZFAHIGTWDO-JTQLQIEISA-N 1 1 280.328 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000610476227 346288746 /nfs/dbraw/zinc/28/87/46/346288746.db2.gz IUVLZFAHIGTWDO-JTQLQIEISA-N 1 1 280.328 1.329 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](O)C1)OCCO2 ZINC000611249798 346719841 /nfs/dbraw/zinc/71/98/41/346719841.db2.gz WDIBBEVJRBFFBZ-NSHDSACASA-N 1 1 294.307 1.323 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](O)C1)OCCO2 ZINC000611249798 346719845 /nfs/dbraw/zinc/71/98/45/346719845.db2.gz WDIBBEVJRBFFBZ-NSHDSACASA-N 1 1 294.307 1.323 20 5 CDBDMO CC(C)NC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606683 347234571 /nfs/dbraw/zinc/23/45/71/347234571.db2.gz QJPKFFXCIQEDHX-UHFFFAOYSA-N 1 1 291.351 1.868 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000046996467 348803405 /nfs/dbraw/zinc/80/34/05/348803405.db2.gz OSKTZXGMJLUVHD-ZYHUDNBSSA-N 1 1 278.312 1.280 20 5 CDBDMO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000072657356 349128315 /nfs/dbraw/zinc/12/83/15/349128315.db2.gz MSTRGHRUUJTIFC-UHFFFAOYSA-N 1 1 281.312 1.602 20 5 CDBDMO CC[C@H](CSC)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000091099889 180097500 /nfs/dbraw/zinc/09/75/00/180097500.db2.gz CHQBVBBDXFMMRA-SNVBAGLBSA-N 1 1 272.374 1.865 20 5 CDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000104919604 186032039 /nfs/dbraw/zinc/03/20/39/186032039.db2.gz RVBYVHASBNHBIQ-SNVBAGLBSA-N 1 1 293.323 1.324 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292077372 198155187 /nfs/dbraw/zinc/15/51/87/198155187.db2.gz DHCUQMLYFHBNBA-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO CNC(=O)CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000154598995 188152960 /nfs/dbraw/zinc/15/29/60/188152960.db2.gz HIUHAQPBBJCVBL-UHFFFAOYSA-N 1 1 271.342 1.614 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000154598995 188152961 /nfs/dbraw/zinc/15/29/61/188152961.db2.gz HIUHAQPBBJCVBL-UHFFFAOYSA-N 1 1 271.342 1.614 20 5 CDBDMO Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000292589877 198343267 /nfs/dbraw/zinc/34/32/67/198343267.db2.gz LOLSDFIEWLWSMK-LLVKDONJSA-N 1 1 296.346 1.700 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000558983890 356069331 /nfs/dbraw/zinc/06/93/31/356069331.db2.gz DPMHHGYVRFEGGU-SECBINFHSA-N 1 1 295.368 1.834 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000247145967 356680450 /nfs/dbraw/zinc/68/04/50/356680450.db2.gz WQPBHQFNHJLMSB-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000247145967 356680454 /nfs/dbraw/zinc/68/04/54/356680454.db2.gz WQPBHQFNHJLMSB-NWDGAFQWSA-N 1 1 294.355 1.190 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290694551 357289129 /nfs/dbraw/zinc/28/91/29/357289129.db2.gz UZTIJMBNGVTIQA-VIFPVBQESA-N 1 1 295.343 1.231 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1[N+](=O)[O-] ZINC000261900848 357339310 /nfs/dbraw/zinc/33/93/10/357339310.db2.gz WPMQAIPRZJOIJU-BDAKNGLRSA-N 1 1 295.343 1.080 20 5 CDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000282775686 357474343 /nfs/dbraw/zinc/47/43/43/357474343.db2.gz MDUICTXJKFZVJK-JTQLQIEISA-N 1 1 295.339 1.544 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331338850 357561148 /nfs/dbraw/zinc/56/11/48/357561148.db2.gz JNMKXOSHURGFOH-PHIMTYICSA-N 1 1 281.360 1.243 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052929 357795414 /nfs/dbraw/zinc/79/54/14/357795414.db2.gz WKZNRLXJZHZZSS-GWCFXTLKSA-N 1 1 292.339 1.479 20 5 CDBDMO CN(C)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476202 357821382 /nfs/dbraw/zinc/82/13/82/357821382.db2.gz UMPXVMYAOGAFKA-ZWNOBZJWSA-N 1 1 279.340 1.094 20 5 CDBDMO CN(C)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476195 357821506 /nfs/dbraw/zinc/82/15/06/357821506.db2.gz UMPXVMYAOGAFKA-GWCFXTLKSA-N 1 1 279.340 1.094 20 5 CDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000294858111 199216813 /nfs/dbraw/zinc/21/68/13/199216813.db2.gz OBYFEFNROAQMNO-UHFFFAOYSA-N 1 1 289.295 1.033 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000361657477 358403250 /nfs/dbraw/zinc/40/32/50/358403250.db2.gz JGZVSNJQXWBKQZ-RYUDHWBXSA-N 1 1 289.335 1.951 20 5 CDBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176248881 358750613 /nfs/dbraw/zinc/75/06/13/358750613.db2.gz HRJCDHVWERQQGB-ZJUUUORDSA-N 1 1 270.358 1.617 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3sccc3C2)n1 ZINC000176201662 358736475 /nfs/dbraw/zinc/73/64/75/358736475.db2.gz QIMUZJNPWOKEQW-UHFFFAOYSA-N 1 1 278.337 1.911 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3sccc3C2)n1 ZINC000176201662 358736478 /nfs/dbraw/zinc/73/64/78/358736478.db2.gz QIMUZJNPWOKEQW-UHFFFAOYSA-N 1 1 278.337 1.911 20 5 CDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)C ZINC000176206219 358737422 /nfs/dbraw/zinc/73/74/22/358737422.db2.gz SAOOELFHUXJDCD-UHFFFAOYSA-N 1 1 270.333 1.396 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451700564 359071849 /nfs/dbraw/zinc/07/18/49/359071849.db2.gz XVODCFOIYZWUMU-DYEKYZERSA-N 1 1 294.355 1.274 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000342467667 359063924 /nfs/dbraw/zinc/06/39/24/359063924.db2.gz RLJYCAQVQNHQHD-WCBMZHEXSA-N 1 1 295.364 1.869 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518470044 363647097 /nfs/dbraw/zinc/64/70/97/363647097.db2.gz RSWCXZFSYJHCKK-UHFFFAOYSA-N 1 1 280.328 1.101 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CCC2)cc1 ZINC000221173623 359487123 /nfs/dbraw/zinc/48/71/23/359487123.db2.gz NAJSYTUQUMFLQJ-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO Cc1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359063 200161756 /nfs/dbraw/zinc/16/17/56/200161756.db2.gz BWFBKXVUNCMXPN-ONGXEEELSA-N 1 1 279.344 1.470 20 5 CDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000356802137 366561621 /nfs/dbraw/zinc/56/16/21/366561621.db2.gz NBXPNBBXQKQBNJ-LBPRGKRZSA-N 1 1 295.314 1.900 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000159462146 359944555 /nfs/dbraw/zinc/94/45/55/359944555.db2.gz CWPIQSCKCZWOPY-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172360913 360101188 /nfs/dbraw/zinc/10/11/88/360101188.db2.gz VBJHKSXKTYHEDN-UHFFFAOYSA-N 1 1 277.324 1.824 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340918794 364187433 /nfs/dbraw/zinc/18/74/33/364187433.db2.gz CDPHPFOBSLHOIU-ZYHUDNBSSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340918794 364187436 /nfs/dbraw/zinc/18/74/36/364187436.db2.gz CDPHPFOBSLHOIU-ZYHUDNBSSA-N 1 1 293.323 1.297 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280413550 364853615 /nfs/dbraw/zinc/85/36/15/364853615.db2.gz YQKLTWTWVVVRDI-ZDUSSCGKSA-N 1 1 263.297 1.292 20 5 CDBDMO CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122188308 366928948 /nfs/dbraw/zinc/92/89/48/366928948.db2.gz OGSSDKPHFHCVEG-UHFFFAOYSA-N 1 1 292.339 1.171 20 5 CDBDMO Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258582 367571098 /nfs/dbraw/zinc/57/10/98/367571098.db2.gz ZPZYGOKGKHWGQD-WCQYABFASA-N 1 1 276.340 1.829 20 5 CDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H]1C ZINC000487981081 367645781 /nfs/dbraw/zinc/64/57/81/367645781.db2.gz NGGHZFOVWGEWJT-RYUDHWBXSA-N 1 1 296.371 1.965 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613250 367729347 /nfs/dbraw/zinc/72/93/47/367729347.db2.gz DWARFIZHANVIFV-NSHDSACASA-N 1 1 250.302 1.886 20 5 CDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272740372 367814067 /nfs/dbraw/zinc/81/40/67/367814067.db2.gz MTLWEEAWDIHLBP-LLVKDONJSA-N 1 1 289.335 1.975 20 5 CDBDMO Nc1nc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190521 368338123 /nfs/dbraw/zinc/33/81/23/368338123.db2.gz MARSGUPXATYZMG-SECBINFHSA-N 1 1 292.343 1.396 20 5 CDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330674813 203104765 /nfs/dbraw/zinc/10/47/65/203104765.db2.gz QXUYDXJEZRHQSK-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330674813 203104770 /nfs/dbraw/zinc/10/47/70/203104770.db2.gz QXUYDXJEZRHQSK-LLVKDONJSA-N 1 1 293.323 1.136 20 5 CDBDMO Cc1cc(N(C)C[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000420643898 244306948 /nfs/dbraw/zinc/30/69/48/244306948.db2.gz XSTBAFMQDIRHNK-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000276110293 193216071 /nfs/dbraw/zinc/21/60/71/193216071.db2.gz XJSSOBNGBNIOCD-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000276111660 193217007 /nfs/dbraw/zinc/21/70/07/193217007.db2.gz XJSSOBNGBNIOCD-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1nn(CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000295396657 370164719 /nfs/dbraw/zinc/16/47/19/370164719.db2.gz RLWNJIMIZPTCLG-NSHDSACASA-N 1 1 252.318 1.974 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000295665284 370558752 /nfs/dbraw/zinc/55/87/52/370558752.db2.gz ITBPJGOSCFVBIW-SECBINFHSA-N 1 1 265.317 1.224 20 5 CDBDMO Cc1nc(NC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000295627950 370526865 /nfs/dbraw/zinc/52/68/65/370526865.db2.gz XAZOPKBEUANZAS-SECBINFHSA-N 1 1 251.290 1.199 20 5 CDBDMO CC[N@@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621845 373165021 /nfs/dbraw/zinc/16/50/21/373165021.db2.gz BARRVTJTLINOMQ-CYBMUJFWSA-N 1 1 268.313 1.597 20 5 CDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191648280 373505724 /nfs/dbraw/zinc/50/57/24/373505724.db2.gz CHDGSJHBKKZTIK-CQSZACIVSA-N 1 1 296.371 1.664 20 5 CDBDMO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313313730 374326110 /nfs/dbraw/zinc/32/61/10/374326110.db2.gz ITCQJEXYWSTTSU-VIFPVBQESA-N 1 1 283.303 1.737 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000421748368 374329814 /nfs/dbraw/zinc/32/98/14/374329814.db2.gz LRNLBJQLJAAPHM-LBPRGKRZSA-N 1 1 291.351 1.893 20 5 CDBDMO CCOc1cc(C[N@@H+](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000276865868 374754085 /nfs/dbraw/zinc/75/40/85/374754085.db2.gz GZIIRQHHAZURFX-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000279728011 374953254 /nfs/dbraw/zinc/95/32/54/374953254.db2.gz JINIFSQSEIHIJQ-LBPRGKRZSA-N 1 1 291.307 1.939 20 5 CDBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1O ZINC000279728011 374953262 /nfs/dbraw/zinc/95/32/62/374953262.db2.gz JINIFSQSEIHIJQ-LBPRGKRZSA-N 1 1 291.307 1.939 20 5 CDBDMO CCN1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000391543770 374982260 /nfs/dbraw/zinc/98/22/60/374982260.db2.gz OYCYBKKUGAYFQW-JTQLQIEISA-N 1 1 297.742 1.959 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355619 374994185 /nfs/dbraw/zinc/99/41/85/374994185.db2.gz UBAPEQXQLAHPHS-CYBMUJFWSA-N 1 1 263.297 1.292 20 5 CDBDMO C[N@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000282242080 375073900 /nfs/dbraw/zinc/07/39/00/375073900.db2.gz 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376255478 /nfs/dbraw/zinc/25/54/78/376255478.db2.gz VPPQMCZTEDPHOR-LLVKDONJSA-N 1 1 292.339 1.461 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000296667988 376688880 /nfs/dbraw/zinc/68/88/80/376688880.db2.gz ZAWOXUSHDWDIAZ-WDEREUQCSA-N 1 1 277.328 1.732 20 5 CDBDMO CC(C)c1[nH+]ccn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270082708 377849957 /nfs/dbraw/zinc/84/99/57/377849957.db2.gz HAVXWAOFACHAHJ-LLVKDONJSA-N 1 1 279.300 1.172 20 5 CDBDMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875255 253110096 /nfs/dbraw/zinc/11/00/96/253110096.db2.gz XUKLIRBSWAZVBI-YXVBKTCISA-N 1 1 289.335 1.818 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000423445891 285168481 /nfs/dbraw/zinc/16/84/81/285168481.db2.gz YFAOKCUIIFPVSU-SVPLCASGSA-N 1 1 291.355 1.082 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187403770 390561086 /nfs/dbraw/zinc/56/10/86/390561086.db2.gz XLVPZTVEVHPUHW-IINYFYTJSA-N 1 1 291.351 1.989 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187403770 390561090 /nfs/dbraw/zinc/56/10/90/390561090.db2.gz XLVPZTVEVHPUHW-IINYFYTJSA-N 1 1 291.351 1.989 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379111 390615423 /nfs/dbraw/zinc/61/54/23/390615423.db2.gz YYLRZJFUUHCSCI-ZAZJYDDPSA-N 1 1 288.351 1.972 20 5 CDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411164138 390966125 /nfs/dbraw/zinc/96/61/25/390966125.db2.gz GWCNILSAXPWPJF-UHFFFAOYSA-N 1 1 295.339 1.628 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914404 390972494 /nfs/dbraw/zinc/97/24/94/390972494.db2.gz RPKXOCWCKYEYSC-ZWNOBZJWSA-N 1 1 250.298 1.592 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000452112960 391043860 /nfs/dbraw/zinc/04/38/60/391043860.db2.gz HPFZEDRRASCPLO-LLVKDONJSA-N 1 1 281.360 1.243 20 5 CDBDMO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000105791302 391335409 /nfs/dbraw/zinc/33/54/09/391335409.db2.gz GGEXKBYKENLODF-LBPRGKRZSA-N 1 1 294.355 1.537 20 5 CDBDMO CC(C)C[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000046512390 391607507 /nfs/dbraw/zinc/60/75/07/391607507.db2.gz SBWOVEYLPUIOAU-UHFFFAOYSA-N 1 1 265.313 1.538 20 5 CDBDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000046512390 391607513 /nfs/dbraw/zinc/60/75/13/391607513.db2.gz SBWOVEYLPUIOAU-UHFFFAOYSA-N 1 1 265.313 1.538 20 5 CDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])nc1 ZINC000573908606 391610240 /nfs/dbraw/zinc/61/02/40/391610240.db2.gz WUMWHYXGRPLNRF-DGCLKSJQSA-N 1 1 292.339 1.289 20 5 CDBDMO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000231666831 391650670 /nfs/dbraw/zinc/65/06/70/391650670.db2.gz JQEKAFGLDMJFSQ-ONGXEEELSA-N 1 1 263.297 1.476 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629739 391747223 /nfs/dbraw/zinc/74/72/23/391747223.db2.gz KLDINHGBXWBOBP-SECBINFHSA-N 1 1 268.292 1.883 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360283 130095008 /nfs/dbraw/zinc/09/50/08/130095008.db2.gz ZFTZLXHMFAOFCA-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000264322023 391826863 /nfs/dbraw/zinc/82/68/63/391826863.db2.gz KNEGWFOQTQBQFS-NEPJUHHUSA-N 1 1 279.340 1.486 20 5 CDBDMO COCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054353721 391830174 /nfs/dbraw/zinc/83/01/74/391830174.db2.gz SQNICFVUHZTRLO-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO CO[C@]1(C)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223328 391830630 /nfs/dbraw/zinc/83/06/30/391830630.db2.gz GDQAGLHPYMQQQF-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355562231 391932286 /nfs/dbraw/zinc/93/22/86/391932286.db2.gz ZOROJYOUCGWDPX-UHFFFAOYSA-N 1 1 252.318 1.949 20 5 CDBDMO CC(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355562231 391932289 /nfs/dbraw/zinc/93/22/89/391932289.db2.gz ZOROJYOUCGWDPX-UHFFFAOYSA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356904634 392044921 /nfs/dbraw/zinc/04/49/21/392044921.db2.gz QXCGOGKORAUZAO-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356904634 392044928 /nfs/dbraw/zinc/04/49/28/392044928.db2.gz QXCGOGKORAUZAO-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+]1C ZINC000421001662 392926113 /nfs/dbraw/zinc/92/61/13/392926113.db2.gz LKVAGRRYGGHKIU-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CCC[C@@H]1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000421001662 392926115 /nfs/dbraw/zinc/92/61/15/392926115.db2.gz LKVAGRRYGGHKIU-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO CN1CCC[C@@H]1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000421001662 392926118 /nfs/dbraw/zinc/92/61/18/392926118.db2.gz LKVAGRRYGGHKIU-CQSZACIVSA-N 1 1 293.367 2.000 20 5 CDBDMO Cc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000268520115 132020618 /nfs/dbraw/zinc/02/06/18/132020618.db2.gz UVFILGNFKFEIRJ-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO COCC[NH2+]CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423331670 392961689 /nfs/dbraw/zinc/96/16/89/392961689.db2.gz MTTUFMUFABNKAU-GFCCVEGCSA-N 1 1 281.356 1.351 20 5 CDBDMO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802079 393057445 /nfs/dbraw/zinc/05/74/45/393057445.db2.gz DNBZWBQBXXUICB-WFASDCNBSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802079 393057446 /nfs/dbraw/zinc/05/74/46/393057446.db2.gz DNBZWBQBXXUICB-WFASDCNBSA-N 1 1 292.383 1.491 20 5 CDBDMO CC(C)(O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332683633 393156264 /nfs/dbraw/zinc/15/62/64/393156264.db2.gz IPGDWGQWVAPMTO-UHFFFAOYSA-N 1 1 251.286 1.119 20 5 CDBDMO CC(C)(O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332683633 393156272 /nfs/dbraw/zinc/15/62/72/393156272.db2.gz IPGDWGQWVAPMTO-UHFFFAOYSA-N 1 1 251.286 1.119 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)CC2CC2)cc1 ZINC000352458591 155200469 /nfs/dbraw/zinc/20/04/69/155200469.db2.gz MNYJPVYCLLYTSG-UHFFFAOYSA-N 1 1 264.325 1.842 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CCO ZINC000312334828 149230188 /nfs/dbraw/zinc/23/01/88/149230188.db2.gz FHHRCTDRNDNOMZ-LBPRGKRZSA-N 1 1 280.324 1.950 20 5 CDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N1CCCC1 ZINC000313827039 149248417 /nfs/dbraw/zinc/24/84/17/149248417.db2.gz MMQCSZYQTZCXBW-JTQLQIEISA-N 1 1 295.314 1.834 20 5 CDBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343483238 152197715 /nfs/dbraw/zinc/19/77/15/152197715.db2.gz UYXQDGMRVAPAGO-MWLCHTKSSA-N 1 1 250.302 1.884 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000352223312 155037787 /nfs/dbraw/zinc/03/77/87/155037787.db2.gz VCMMGSCGINYBBO-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734620 156048317 /nfs/dbraw/zinc/04/83/17/156048317.db2.gz AGUCDJZEABINFU-OAHLLOKOSA-N 1 1 289.335 1.697 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000363903775 159352435 /nfs/dbraw/zinc/35/24/35/159352435.db2.gz KETNSEUGRZWRGR-UHFFFAOYSA-N 1 1 280.328 1.294 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374412284 160283972 /nfs/dbraw/zinc/28/39/72/160283972.db2.gz RCHOPMVJMKFNMZ-QWRGUYRKSA-N 1 1 280.328 1.187 20 5 CDBDMO COCCOCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285446801 196286873 /nfs/dbraw/zinc/28/68/73/196286873.db2.gz YBQDZWHKANEVSQ-UHFFFAOYSA-N 1 1 282.340 1.732 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569990 196330958 /nfs/dbraw/zinc/33/09/58/196330958.db2.gz HOZUTKBKDVREFX-RYUDHWBXSA-N 1 1 298.339 1.301 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082218 270340304 /nfs/dbraw/zinc/34/03/04/270340304.db2.gz AWJQXDUIOCEKIA-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000395082218 270340306 /nfs/dbraw/zinc/34/03/06/270340306.db2.gz AWJQXDUIOCEKIA-GHMZBOCLSA-N 1 1 293.323 1.236 20 5 CDBDMO COCC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115515686 274032118 /nfs/dbraw/zinc/03/21/18/274032118.db2.gz KEWLISHTAHWLNO-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO Cc1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000365052010 274793920 /nfs/dbraw/zinc/79/39/20/274793920.db2.gz HSTASRHYMXLZEQ-CYBMUJFWSA-N 1 1 291.351 1.814 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000489926077 275041569 /nfs/dbraw/zinc/04/15/69/275041569.db2.gz TTYGRRNXWINGMC-QMMMGPOBSA-N 1 1 260.257 1.008 20 5 CDBDMO COCC[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000114562805 277216676 /nfs/dbraw/zinc/21/66/76/277216676.db2.gz FNVLSUVVNNHXNC-UHFFFAOYSA-N 1 1 268.313 1.078 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CC1 ZINC000053183786 279182910 /nfs/dbraw/zinc/18/29/10/279182910.db2.gz KZBJFFNYEDPIKJ-UHFFFAOYSA-N 1 1 293.323 1.884 20 5 CDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551670 279279323 /nfs/dbraw/zinc/27/93/23/279279323.db2.gz SVCGOLMPXGARML-WDEREUQCSA-N 1 1 265.313 1.487 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336194 279305040 /nfs/dbraw/zinc/30/50/40/279305040.db2.gz QBGKSKDMGUVSOJ-LBPRGKRZSA-N 1 1 291.351 1.595 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336191 279305144 /nfs/dbraw/zinc/30/51/44/279305144.db2.gz QBGKSKDMGUVSOJ-GFCCVEGCSA-N 1 1 291.351 1.595 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000225225696 280096845 /nfs/dbraw/zinc/09/68/45/280096845.db2.gz UQQXBQCWKSZWBD-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000225225696 280096848 /nfs/dbraw/zinc/09/68/48/280096848.db2.gz UQQXBQCWKSZWBD-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)N(C)C ZINC000576332779 317119329 /nfs/dbraw/zinc/11/93/29/317119329.db2.gz VSJNGBGPYBOPQI-UHFFFAOYSA-N 1 1 295.339 1.560 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194115472 323541571 /nfs/dbraw/zinc/54/15/71/323541571.db2.gz DIAUMMDRPGBRBX-SNVBAGLBSA-N 1 1 288.307 1.977 20 5 CDBDMO COc1cc(OCc2nc(C[NH3+])no2)ccc1[N+](=O)[O-] ZINC000578531594 323959895 /nfs/dbraw/zinc/95/98/95/323959895.db2.gz KSBBXOXFCITXMM-UHFFFAOYSA-N 1 1 280.240 1.024 20 5 CDBDMO COCC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001753844839 1159919541 /nfs/dbraw/zinc/91/95/41/1159919541.db2.gz CGZXNQFBPSMQEK-UHFFFAOYSA-N 1 1 295.339 1.131 20 5 CDBDMO COCC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001753844839 1159919546 /nfs/dbraw/zinc/91/95/46/1159919546.db2.gz CGZXNQFBPSMQEK-UHFFFAOYSA-N 1 1 295.339 1.131 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708057 523841339 /nfs/dbraw/zinc/84/13/39/523841339.db2.gz OLGZGQISOSIYAH-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000048336681 524359705 /nfs/dbraw/zinc/35/97/05/524359705.db2.gz AHYYKVRUHWVTGR-LLVKDONJSA-N 1 1 265.313 1.727 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000153949890 528546609 /nfs/dbraw/zinc/54/66/09/528546609.db2.gz AHZPLRZQHWECIH-RKDXNWHRSA-N 1 1 295.343 1.093 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180635985 535191241 /nfs/dbraw/zinc/19/12/41/535191241.db2.gz QRUJZROSALULMY-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092381603 535279553 /nfs/dbraw/zinc/27/95/53/535279553.db2.gz OYVWEOKPMZGFFH-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092381603 535279556 /nfs/dbraw/zinc/27/95/56/535279556.db2.gz OYVWEOKPMZGFFH-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CCOC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269079343 535696547 /nfs/dbraw/zinc/69/65/47/535696547.db2.gz DNPBQEVYBVLTKN-OAHLLOKOSA-N 1 1 294.351 1.957 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000112172922 1174838703 /nfs/dbraw/zinc/83/87/03/1174838703.db2.gz RDOOBFUBZQZTCE-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000112172922 1174838714 /nfs/dbraw/zinc/83/87/14/1174838714.db2.gz RDOOBFUBZQZTCE-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C(F)(F)F)C2)n1 ZINC000761058868 576539303 /nfs/dbraw/zinc/53/93/03/576539303.db2.gz UKLPHXPLOMXQDN-QMMMGPOBSA-N 1 1 278.234 1.676 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000742197943 575994498 /nfs/dbraw/zinc/99/44/98/575994498.db2.gz XFNMSWNIOCKIPJ-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000742197943 575994500 /nfs/dbraw/zinc/99/45/00/575994500.db2.gz XFNMSWNIOCKIPJ-JTQLQIEISA-N 1 1 293.323 1.380 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344908 576675754 /nfs/dbraw/zinc/67/57/54/576675754.db2.gz HPZDNADBENMTRX-LBPRGKRZSA-N 1 1 291.351 1.738 20 5 CDBDMO Cn1cc(C[C@H]2CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)cn1 ZINC000747461207 576871468 /nfs/dbraw/zinc/87/14/68/576871468.db2.gz OPRFNIXBYPKFNO-LLVKDONJSA-N 1 1 290.327 1.047 20 5 CDBDMO Cn1cc(C[C@H]2CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)cn1 ZINC000747461207 576871469 /nfs/dbraw/zinc/87/14/69/576871469.db2.gz OPRFNIXBYPKFNO-LLVKDONJSA-N 1 1 290.327 1.047 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000749255477 576941197 /nfs/dbraw/zinc/94/11/97/576941197.db2.gz CAPAGYVJVQHQRC-NSHDSACASA-N 1 1 291.351 1.608 20 5 CDBDMO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000749255477 576941198 /nfs/dbraw/zinc/94/11/98/576941198.db2.gz CAPAGYVJVQHQRC-NSHDSACASA-N 1 1 291.351 1.608 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000750038208 576972849 /nfs/dbraw/zinc/97/28/49/576972849.db2.gz AEFVTHACGLIVIH-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@H+](Cc1cn[nH]c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750108806 576976274 /nfs/dbraw/zinc/97/62/74/576976274.db2.gz WMHKHBNLANHSCP-CYBMUJFWSA-N 1 1 276.296 1.483 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000892674801 617581500 /nfs/dbraw/zinc/58/15/00/617581500.db2.gz YQHOJXMRRHGCJI-ZJUUUORDSA-N 1 1 280.328 1.893 20 5 CDBDMO C[C@H](CNc1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@H](C)C1 ZINC000891829649 617625173 /nfs/dbraw/zinc/62/51/73/617625173.db2.gz HCQKNIAOFIKZBL-WDEREUQCSA-N 1 1 281.360 1.861 20 5 CDBDMO O=C(CC[N@@H+]1CC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017571 617855698 /nfs/dbraw/zinc/85/56/98/617855698.db2.gz SIZNWZGWTQYANL-SNVBAGLBSA-N 1 1 297.286 1.129 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894997119 619194319 /nfs/dbraw/zinc/19/43/19/619194319.db2.gz UPLSRSLVTNHEKK-SECBINFHSA-N 1 1 259.269 1.532 20 5 CDBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000928571655 619418298 /nfs/dbraw/zinc/41/82/98/619418298.db2.gz BSAUDVFNEMWJRZ-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928571655 619418300 /nfs/dbraw/zinc/41/83/00/619418300.db2.gz BSAUDVFNEMWJRZ-SNVBAGLBSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000895245345 619486638 /nfs/dbraw/zinc/48/66/38/619486638.db2.gz FTPRLVFXACJEAC-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895245345 619486641 /nfs/dbraw/zinc/48/66/41/619486641.db2.gz FTPRLVFXACJEAC-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000895245345 619486643 /nfs/dbraw/zinc/48/66/43/619486643.db2.gz FTPRLVFXACJEAC-SWLSCSKDSA-N 1 1 292.383 1.949 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000899864005 622497558 /nfs/dbraw/zinc/49/75/58/622497558.db2.gz FBJKKUWMTJSVCZ-UHFFFAOYSA-N 1 1 264.203 1.952 20 5 CDBDMO COc1ccc2c(c1)OCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905139087 626652317 /nfs/dbraw/zinc/65/23/17/626652317.db2.gz QMNYOPSXBPDVCM-LLVKDONJSA-N 1 1 252.270 1.385 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000915371946 631709564 /nfs/dbraw/zinc/70/95/64/631709564.db2.gz KQDAHSRXEJWWFX-SECBINFHSA-N 1 1 289.291 1.285 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001167278560 1158556038 /nfs/dbraw/zinc/55/60/38/1158556038.db2.gz MBOQGLXJCPGNFV-ZETCQYMHSA-N 1 1 279.325 1.716 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170334543 1162339482 /nfs/dbraw/zinc/33/94/82/1162339482.db2.gz GOZPWXKGEVUOKY-YPMHNXCESA-N 1 1 294.351 1.991 20 5 CDBDMO CC(C)[N@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641067 1178226461 /nfs/dbraw/zinc/22/64/61/1178226461.db2.gz ODGLAINGZITIKC-AWEZNQCLSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(C)[N@@H+](C)CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641067 1178226469 /nfs/dbraw/zinc/22/64/69/1178226469.db2.gz ODGLAINGZITIKC-AWEZNQCLSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C)C1 ZINC000311922729 1186693184 /nfs/dbraw/zinc/69/31/84/1186693184.db2.gz BZINTVIHFDDFGY-LLVKDONJSA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C)C1 ZINC000311922729 1186693188 /nfs/dbraw/zinc/69/31/88/1186693188.db2.gz BZINTVIHFDDFGY-LLVKDONJSA-N 1 1 264.281 1.880 20 5 CDBDMO CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839762653 736386010 /nfs/dbraw/zinc/38/60/10/736386010.db2.gz FBPZRPJTHJMYTA-WHOHXGKFSA-N 1 1 295.339 1.490 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535741 736616579 /nfs/dbraw/zinc/61/65/79/736616579.db2.gz ZJECXRDCRVGVDN-KCPJHIHWSA-N 1 1 294.351 1.985 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000712287982 736823289 /nfs/dbraw/zinc/82/32/89/736823289.db2.gz GCMFZXXKVSYUAM-KWCYVHTRSA-N 1 1 262.309 1.798 20 5 CDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000050273133 737053640 /nfs/dbraw/zinc/05/36/40/737053640.db2.gz NXBWXPXGQPZXNM-SNVBAGLBSA-N 1 1 290.323 1.144 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928562040 737252284 /nfs/dbraw/zinc/25/22/84/737252284.db2.gz CPGZEUMWEDIGPK-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000847107754 737904786 /nfs/dbraw/zinc/90/47/86/737904786.db2.gz VOUVGYGKZYFDEU-VIFPVBQESA-N 1 1 295.295 1.848 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000847107754 737904791 /nfs/dbraw/zinc/90/47/91/737904791.db2.gz VOUVGYGKZYFDEU-VIFPVBQESA-N 1 1 295.295 1.848 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3CC3)n2)s1 ZINC000843219077 738060864 /nfs/dbraw/zinc/06/08/64/738060864.db2.gz SQEDEDRIKIOXAN-UHFFFAOYSA-N 1 1 266.282 1.958 20 5 CDBDMO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819058576 738224894 /nfs/dbraw/zinc/22/48/94/738224894.db2.gz MTXNFAJGNLIGFY-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822487168 738808863 /nfs/dbraw/zinc/80/88/63/738808863.db2.gz KDNDWEGRFZLNJP-UHFFFAOYSA-N 1 1 273.377 1.668 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880235079 738874600 /nfs/dbraw/zinc/87/46/00/738874600.db2.gz YBQLVWRITDQNOT-JTQLQIEISA-N 1 1 256.281 1.473 20 5 CDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2 ZINC000854734803 738878706 /nfs/dbraw/zinc/87/87/06/738878706.db2.gz DJYOLBBBPGEMQF-HNNXBMFYSA-N 1 1 297.399 1.766 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494444 736519513 /nfs/dbraw/zinc/51/95/13/736519513.db2.gz CKKZQGFFXAEHHN-QMMMGPOBSA-N 1 1 264.285 1.067 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCOCCO ZINC000877503059 736617139 /nfs/dbraw/zinc/61/71/39/736617139.db2.gz 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937270290 /nfs/dbraw/zinc/27/02/90/937270290.db2.gz KJTPAMBUNRLHGD-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000695904509 937270297 /nfs/dbraw/zinc/27/02/97/937270297.db2.gz KJTPAMBUNRLHGD-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000695904509 937270301 /nfs/dbraw/zinc/27/03/01/937270301.db2.gz KJTPAMBUNRLHGD-FZMZJTMJSA-N 1 1 278.356 1.641 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001156659705 928894073 /nfs/dbraw/zinc/89/40/73/928894073.db2.gz JGZSTJOSTWMFBE-SNVBAGLBSA-N 1 1 266.301 1.533 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817711 937389096 /nfs/dbraw/zinc/38/90/96/937389096.db2.gz ZANPXYUTTURSDE-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817711 937389099 /nfs/dbraw/zinc/38/90/99/937389099.db2.gz ZANPXYUTTURSDE-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000817290468 930474306 /nfs/dbraw/zinc/47/43/06/930474306.db2.gz DAXOIYGRYNBXPO-CABCVRRESA-N 1 1 293.367 1.654 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000884823234 930637439 /nfs/dbraw/zinc/63/74/39/930637439.db2.gz PEIVBDAPBIQYHM-UHFFFAOYSA-N 1 1 273.720 1.584 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC001170900197 930701326 /nfs/dbraw/zinc/70/13/26/930701326.db2.gz JLQTWGSHVNHFGZ-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO CC1CC[NH+](Cc2cn(CC(C)(C)[N+](=O)[O-])nn2)CC1 ZINC000887423253 931087275 /nfs/dbraw/zinc/08/72/75/931087275.db2.gz PJPMEMJRSFQQOW-UHFFFAOYSA-N 1 1 281.360 1.565 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000930696009 933432797 /nfs/dbraw/zinc/43/27/97/933432797.db2.gz PUWQKWGFAUXWGV-JTQLQIEISA-N 1 1 296.289 1.944 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000930696009 933432799 /nfs/dbraw/zinc/43/27/99/933432799.db2.gz PUWQKWGFAUXWGV-JTQLQIEISA-N 1 1 296.289 1.944 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932638030 933738947 /nfs/dbraw/zinc/73/89/47/933738947.db2.gz DPVNDRGFFMWBKF-GFCCVEGCSA-N 1 1 278.308 1.980 20 5 CDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246315111 934817814 /nfs/dbraw/zinc/81/78/14/934817814.db2.gz RBJQKTOAGXSDFC-ZIAGYGMSSA-N 1 1 280.324 1.739 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C ZINC001120972066 937851040 /nfs/dbraw/zinc/85/10/40/937851040.db2.gz LNZAKXYGICVLNO-LLVKDONJSA-N 1 1 264.329 1.616 20 5 CDBDMO CN(C)C1(CNc2cc([N+](=O)[O-])ccn2)CC[NH+](C)CC1 ZINC001156177074 938329155 /nfs/dbraw/zinc/32/91/55/938329155.db2.gz ZMUYLFWTABAFTK-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001156381455 938360851 /nfs/dbraw/zinc/36/08/51/938360851.db2.gz REXWCEVSNNSQMG-LLVKDONJSA-N 1 1 280.328 1.372 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156645577 938400075 /nfs/dbraw/zinc/40/00/75/938400075.db2.gz AHEAXZDMZSTBFK-NSHDSACASA-N 1 1 259.269 1.294 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158424215 938622062 /nfs/dbraw/zinc/62/20/62/938622062.db2.gz CPPSCTRFSSJLEK-QMMMGPOBSA-N 1 1 268.704 1.538 20 5 CDBDMO Nc1cc(-n2cc(CC[NH3+])c3cnccc32)ncc1[N+](=O)[O-] ZINC001160950932 938848914 /nfs/dbraw/zinc/84/89/14/938848914.db2.gz USIUHALLAUOQCU-UHFFFAOYSA-N 1 1 298.306 1.412 20 5 CDBDMO COC(=O)c1ccc(CO[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223409511 941675389 /nfs/dbraw/zinc/67/53/89/941675389.db2.gz CRDFJQCKYFZOJT-GFCCVEGCSA-N 1 1 294.307 1.602 20 5 CDBDMO Cc1cnc(COC[C@@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC001224185588 941728311 /nfs/dbraw/zinc/72/83/11/941728311.db2.gz KBWVRHJSQMDJFY-LBPRGKRZSA-N 1 1 295.339 1.454 20 5 CDBDMO Cc1cnc(COC[C@@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC001224185588 941728314 /nfs/dbraw/zinc/72/83/14/941728314.db2.gz KBWVRHJSQMDJFY-LBPRGKRZSA-N 1 1 295.339 1.454 20 5 CDBDMO C[N@H+]1CC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224327887 941743809 /nfs/dbraw/zinc/74/38/09/941743809.db2.gz JATWCHIBCMXZIY-CYBMUJFWSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987600 941811585 /nfs/dbraw/zinc/81/15/85/941811585.db2.gz SJSGGPGDYGMYHP-CYBMUJFWSA-N 1 1 294.307 1.359 20 5 CDBDMO O=[N+]([O-])c1cccnc1OC1CC[NH+](CCF)CC1 ZINC001225593794 941885851 /nfs/dbraw/zinc/88/58/51/941885851.db2.gz YXHODJHAXWMAJQ-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225594071 941886482 /nfs/dbraw/zinc/88/64/82/941886482.db2.gz APISZDXHXBAVBU-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO COc1cc(O[C@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001226576605 942029309 /nfs/dbraw/zinc/02/93/09/942029309.db2.gz SJOGMPRNBGYAKY-QMMMGPOBSA-N 1 1 253.258 1.081 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733078 942060021 /nfs/dbraw/zinc/06/00/21/942060021.db2.gz GTUMFXNNMMYTER-SNVBAGLBSA-N 1 1 252.274 1.248 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001228686183 942357565 /nfs/dbraw/zinc/35/75/65/942357565.db2.gz MFBZATSNGJJMHU-SNVBAGLBSA-N 1 1 281.312 1.865 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(COC2)C1 ZINC001254551003 947522428 /nfs/dbraw/zinc/52/24/28/947522428.db2.gz VEHYQNVQIUNQAJ-LLVKDONJSA-N 1 1 262.309 1.858 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CC[C@H]2C1 ZINC001254568501 947530162 /nfs/dbraw/zinc/53/01/62/947530162.db2.gz GJLARHLDAYNHSZ-JSGCOSHPSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537266 948240131 /nfs/dbraw/zinc/24/01/31/948240131.db2.gz HJBMSJRZDJRGOJ-LKTVYLICSA-N 1 1 275.352 1.874 20 5 CDBDMO C[C@H]1CC[C@@H](CN)[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246537266 948240140 /nfs/dbraw/zinc/24/01/40/948240140.db2.gz HJBMSJRZDJRGOJ-LKTVYLICSA-N 1 1 275.352 1.874 20 5 CDBDMO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC1 ZINC001247720703 948727622 /nfs/dbraw/zinc/72/76/22/948727622.db2.gz SZVQUAOSCMBEKT-UHFFFAOYSA-N 1 1 279.231 1.517 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001332920906 957943354 /nfs/dbraw/zinc/94/33/54/957943354.db2.gz CQUPQFSHUXRWRM-NSHDSACASA-N 1 1 287.360 1.498 20 5 CDBDMO C[N@@H+](CCNc1ccc2nonc2c1[N+](=O)[O-])C1CC1 ZINC001333641774 958472477 /nfs/dbraw/zinc/47/24/77/958472477.db2.gz UNBUBGMDJLUFKR-UHFFFAOYSA-N 1 1 277.284 1.637 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNc2c(C)cncc2[N+](=O)[O-])C1 ZINC001333671613 958498183 /nfs/dbraw/zinc/49/81/83/958498183.db2.gz MBHQLJRRMHDOGS-LBPRGKRZSA-N 1 1 278.356 1.864 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001336684457 960464107 /nfs/dbraw/zinc/46/41/07/960464107.db2.gz JHIZGMFOCQNGIM-NXEZZACHSA-N 1 1 265.317 1.367 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093126 960930302 /nfs/dbraw/zinc/93/03/02/960930302.db2.gz XSOVIFUDFJKLQC-UWVGGRQHSA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1nc(NCCc2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC001337969393 961546141 /nfs/dbraw/zinc/54/61/41/961546141.db2.gz FLVIHCGAMTUENA-UHFFFAOYSA-N 1 1 262.273 1.081 20 5 CDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346314364 965042038 /nfs/dbraw/zinc/04/20/38/965042038.db2.gz YUXUYXQDAAYTJO-RBSFLKMASA-N 1 1 293.367 1.701 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H](O)C[C@@H]3CO)c2c1 ZINC000601136091 342476477 /nfs/dbraw/zinc/47/64/77/342476477.db2.gz ODDXEXXNVMYQPK-GHMZBOCLSA-N 1 1 289.291 1.075 20 5 CDBDMO Cn1ccnc1[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432174 365646306 /nfs/dbraw/zinc/64/63/06/365646306.db2.gz YRERKHFQWLQPPV-JTQLQIEISA-N 1 1 290.327 1.051 20 5 CDBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000565432174 365646311 /nfs/dbraw/zinc/64/63/11/365646311.db2.gz YRERKHFQWLQPPV-JTQLQIEISA-N 1 1 290.327 1.051 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581767 342637940 /nfs/dbraw/zinc/63/79/40/342637940.db2.gz RFQDEZWRLVZKKZ-USWWRNFRSA-N 1 1 267.304 1.945 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000311641892 342155126 /nfs/dbraw/zinc/15/51/26/342155126.db2.gz LBFAWAZAFQPCSZ-VIFPVBQESA-N 1 1 267.333 1.713 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593109219 342769303 /nfs/dbraw/zinc/76/93/03/342769303.db2.gz XDQLDBMHIZWCMG-SECBINFHSA-N 1 1 278.312 1.674 20 5 CDBDMO Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593503430 342808977 /nfs/dbraw/zinc/80/89/77/342808977.db2.gz KGEYTBNVXHCUEO-LLVKDONJSA-N 1 1 295.314 1.298 20 5 CDBDMO Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593503430 342808978 /nfs/dbraw/zinc/80/89/78/342808978.db2.gz KGEYTBNVXHCUEO-LLVKDONJSA-N 1 1 295.314 1.298 20 5 CDBDMO O=[N+]([O-])c1cccc(CCNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000600733474 342246062 /nfs/dbraw/zinc/24/60/62/342246062.db2.gz ZHJBWUJXUKOLEG-OAHLLOKOSA-N 1 1 293.367 1.184 20 5 CDBDMO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000600733474 342246063 /nfs/dbraw/zinc/24/60/63/342246063.db2.gz ZHJBWUJXUKOLEG-OAHLLOKOSA-N 1 1 293.367 1.184 20 5 CDBDMO COCC(COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040250 342998161 /nfs/dbraw/zinc/99/81/61/342998161.db2.gz FOGLUDQCEQGWFJ-JTQLQIEISA-N 1 1 298.339 1.915 20 5 CDBDMO Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074765007 342304049 /nfs/dbraw/zinc/30/40/49/342304049.db2.gz YDCNSKMOIJJBCC-NSHDSACASA-N 1 1 294.355 1.678 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335998 349735405 /nfs/dbraw/zinc/73/54/05/349735405.db2.gz BFBATIVMMKVGBS-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO NC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595341512 343042916 /nfs/dbraw/zinc/04/29/16/343042916.db2.gz BSRRXVATLOMRFB-UHFFFAOYSA-N 1 1 296.302 1.367 20 5 CDBDMO Cc1noc(C[N@H+](C)C2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000595386952 343052719 /nfs/dbraw/zinc/05/27/19/343052719.db2.gz FBTMLAOAEZRDRN-UHFFFAOYSA-N 1 1 283.328 1.874 20 5 CDBDMO CCC[C@]1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOC1 ZINC000595482149 343065660 /nfs/dbraw/zinc/06/56/60/343065660.db2.gz ICLJOJIJTUWHRO-LBPRGKRZSA-N 1 1 269.301 1.940 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268860 342320349 /nfs/dbraw/zinc/32/03/49/342320349.db2.gz BVDJABARXGAMPM-VIFPVBQESA-N 1 1 280.332 1.111 20 5 CDBDMO Cc1noc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000595511666 343081517 /nfs/dbraw/zinc/08/15/17/343081517.db2.gz IYRUODADGMADNA-DTWKUNHWSA-N 1 1 255.274 1.140 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595549920 343085292 /nfs/dbraw/zinc/08/52/92/343085292.db2.gz GAABKKYCSVNZAE-PSASIEDQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595549920 343085293 /nfs/dbraw/zinc/08/52/93/343085293.db2.gz GAABKKYCSVNZAE-PSASIEDQSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595522074 343088569 /nfs/dbraw/zinc/08/85/69/343088569.db2.gz XDFPOVMCULMIHK-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595522074 343088571 /nfs/dbraw/zinc/08/85/71/343088571.db2.gz XDFPOVMCULMIHK-JTQLQIEISA-N 1 1 283.328 1.874 20 5 CDBDMO Cc1noc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000595526504 343089408 /nfs/dbraw/zinc/08/94/08/343089408.db2.gz SRSAHGNFJKIOBK-ZJUUUORDSA-N 1 1 266.301 1.027 20 5 CDBDMO Cc1nn(C)c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000078455962 342337270 /nfs/dbraw/zinc/33/72/70/342337270.db2.gz ZRXWHTYTKOBNRZ-LBPRGKRZSA-N 1 1 295.387 1.947 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596170280 343258568 /nfs/dbraw/zinc/25/85/68/343258568.db2.gz PUJUNDIKCPTKES-UHFFFAOYSA-N 1 1 291.311 1.727 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596169980 343258605 /nfs/dbraw/zinc/25/86/05/343258605.db2.gz MYKMLPKCWPKZAJ-UHFFFAOYSA-N 1 1 290.327 1.603 20 5 CDBDMO C[C@@H](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000597992021 343682178 /nfs/dbraw/zinc/68/21/78/343682178.db2.gz INFXKROSVVSZQB-VIFPVBQESA-N 1 1 281.312 1.370 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802341 344591882 /nfs/dbraw/zinc/59/18/82/344591882.db2.gz ZGATXUIHIGEDBM-NEPJUHHUSA-N 1 1 295.387 1.514 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780873 344596314 /nfs/dbraw/zinc/59/63/14/344596314.db2.gz BCJCMSHGDQTRHP-NSHDSACASA-N 1 1 284.385 1.927 20 5 CDBDMO COCC1=CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602821746 344610017 /nfs/dbraw/zinc/61/00/17/344610017.db2.gz YAYXBRQSVMNMRE-UHFFFAOYSA-N 1 1 280.328 1.378 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCOC(C)(C)C1 ZINC000602785702 344599083 /nfs/dbraw/zinc/59/90/83/344599083.db2.gz XSLAVTVYONHSTP-UHFFFAOYSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1CC(C)C ZINC000602788918 344600910 /nfs/dbraw/zinc/60/09/10/344600910.db2.gz YDOVCWLLYHCTBJ-CYBMUJFWSA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000602788918 344600912 /nfs/dbraw/zinc/60/09/12/344600912.db2.gz YDOVCWLLYHCTBJ-CYBMUJFWSA-N 1 1 296.371 1.847 20 5 CDBDMO C[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905303 344656046 /nfs/dbraw/zinc/65/60/46/344656046.db2.gz MEOVDZUJSLCGDY-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905303 344656048 /nfs/dbraw/zinc/65/60/48/344656048.db2.gz MEOVDZUJSLCGDY-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000602839192 344620687 /nfs/dbraw/zinc/62/06/87/344620687.db2.gz IYUXJKRIGFBHGT-GFCCVEGCSA-N 1 1 296.396 1.927 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000602881621 344633663 /nfs/dbraw/zinc/63/36/63/344633663.db2.gz GHEYPWYHQWQDAP-AAEUAGOBSA-N 1 1 296.371 1.583 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)n1 ZINC000602998181 344683971 /nfs/dbraw/zinc/68/39/71/344683971.db2.gz YRWUDUPPCVNPRA-UPJWGTAASA-N 1 1 294.355 1.417 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610282673 346243632 /nfs/dbraw/zinc/24/36/32/346243632.db2.gz IUAPRINHJMYLJS-LLVKDONJSA-N 1 1 281.360 1.496 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178946 346629833 /nfs/dbraw/zinc/62/98/33/346629833.db2.gz OUAUKONBAMRQDH-PSASIEDQSA-N 1 1 277.280 1.691 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178946 346629839 /nfs/dbraw/zinc/62/98/39/346629839.db2.gz OUAUKONBAMRQDH-PSASIEDQSA-N 1 1 277.280 1.691 20 5 CDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000611259090 346723536 /nfs/dbraw/zinc/72/35/36/346723536.db2.gz LRFDASNKTYLFFO-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)n1 ZINC000128906825 187398220 /nfs/dbraw/zinc/39/82/20/187398220.db2.gz POCSWPWPLUFQPR-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000104668901 186012458 /nfs/dbraw/zinc/01/24/58/186012458.db2.gz WHLMNSZMXFYOSX-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263959 186381813 /nfs/dbraw/zinc/38/18/13/186381813.db2.gz PNIRIPVCNDLJPI-ZDUSSCGKSA-N 1 1 291.351 1.861 20 5 CDBDMO O=C(CCc1cnc[nH]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000281341647 351465369 /nfs/dbraw/zinc/46/53/69/351465369.db2.gz WERUCGDKPVFGLN-UHFFFAOYSA-N 1 1 288.307 1.609 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000124230021 187127571 /nfs/dbraw/zinc/12/75/71/187127571.db2.gz XIEKCFMIBGIALV-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292102180 198163270 /nfs/dbraw/zinc/16/32/70/198163270.db2.gz GFEQTZZFVHOYCZ-OAHLLOKOSA-N 1 1 289.335 1.763 20 5 CDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000152510000 188024272 /nfs/dbraw/zinc/02/42/72/188024272.db2.gz CGHNWRMPDPDEBX-UHFFFAOYSA-N 1 1 295.339 1.293 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CO ZINC000284109832 357643584 /nfs/dbraw/zinc/64/35/84/357643584.db2.gz NBERYAKNGLFGIG-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1CO ZINC000284109832 357643586 /nfs/dbraw/zinc/64/35/86/357643586.db2.gz NBERYAKNGLFGIG-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187938111 357826015 /nfs/dbraw/zinc/82/60/15/357826015.db2.gz JEMOILXLKHMLKQ-LBPRGKRZSA-N 1 1 279.340 1.879 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOCCO ZINC000337539792 358080106 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CCNC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338358129 359118856 /nfs/dbraw/zinc/11/88/56/359118856.db2.gz WVIZMPIMZWMXRB-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO CC(C)[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000050103861 359303605 /nfs/dbraw/zinc/30/36/05/359303605.db2.gz LHNVLSDEBFGLRT-UHFFFAOYSA-N 1 1 252.314 1.840 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050104330 359571718 /nfs/dbraw/zinc/57/17/18/359571718.db2.gz VPQGSBWKJBRJBM-LBPRGKRZSA-N 1 1 280.324 1.808 20 5 CDBDMO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805460 200003424 /nfs/dbraw/zinc/00/34/24/200003424.db2.gz UNCXPERCFIYRMI-XHDPSFHLSA-N 1 1 293.367 1.701 20 5 CDBDMO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000179657164 189210105 /nfs/dbraw/zinc/21/01/05/189210105.db2.gz YKDUCKNBDUWWAJ-FNORWQNLSA-N 1 1 277.324 1.804 20 5 CDBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000179657164 189210106 /nfs/dbraw/zinc/21/01/06/189210106.db2.gz 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CCOc1ccc(-c2nc(C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000414506119 241236888 /nfs/dbraw/zinc/23/68/88/241236888.db2.gz VVQRGWQYQHLFRJ-UHFFFAOYSA-N 1 1 278.268 1.763 20 5 CDBDMO NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774127 367009663 /nfs/dbraw/zinc/00/96/63/367009663.db2.gz WKMSOONYLPEJEQ-UHFFFAOYSA-N 1 1 281.287 1.431 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C[N@H+]1C1CC1 ZINC000440930560 367105849 /nfs/dbraw/zinc/10/58/49/367105849.db2.gz ROLARJTZDVRQEH-NXEZZACHSA-N 1 1 292.339 1.288 20 5 CDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272740374 367813608 /nfs/dbraw/zinc/81/36/08/367813608.db2.gz MTLWEEAWDIHLBP-NSHDSACASA-N 1 1 289.335 1.975 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272635002 367785256 /nfs/dbraw/zinc/78/52/56/367785256.db2.gz BFUNEDZTKSQQTD-UHFFFAOYSA-N 1 1 291.311 1.373 20 5 CDBDMO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272785481 368155992 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CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000225345914 374244175 /nfs/dbraw/zinc/24/41/75/374244175.db2.gz UFCHWXONBMROHB-ZDUSSCGKSA-N 1 1 264.329 1.253 20 5 CDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000225345914 374244186 /nfs/dbraw/zinc/24/41/86/374244186.db2.gz UFCHWXONBMROHB-ZDUSSCGKSA-N 1 1 264.329 1.253 20 5 CDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000225345914 374244187 /nfs/dbraw/zinc/24/41/87/374244187.db2.gz UFCHWXONBMROHB-ZDUSSCGKSA-N 1 1 264.329 1.253 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368631700 374321580 /nfs/dbraw/zinc/32/15/80/374321580.db2.gz IGXWYRYBLVSOOQ-LXBXCZCDSA-N 1 1 274.320 1.778 20 5 CDBDMO [NH3+][C@@H]1CCCC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000424331215 374409061 /nfs/dbraw/zinc/40/90/61/374409061.db2.gz JEIYDNWXAWPGLI-ZIAGYGMSSA-N 1 1 279.340 1.833 20 5 CDBDMO CC[N@H+](CCCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274270619 374496538 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C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280300771 374990286 /nfs/dbraw/zinc/99/02/86/374990286.db2.gz OXVPZNHJUROANI-DOMZBBRYSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280300771 374990290 /nfs/dbraw/zinc/99/02/90/374990290.db2.gz OXVPZNHJUROANI-DOMZBBRYSA-N 1 1 292.335 1.975 20 5 CDBDMO COCCOCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343862 375080487 /nfs/dbraw/zinc/08/04/87/375080487.db2.gz CBXBCRICNKBUNK-UHFFFAOYSA-N 1 1 282.340 1.732 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293850799 375161130 /nfs/dbraw/zinc/16/11/30/375161130.db2.gz ALDQADPOKHZESI-DTORHVGOSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293850799 375161132 /nfs/dbraw/zinc/16/11/32/375161132.db2.gz ALDQADPOKHZESI-DTORHVGOSA-N 1 1 295.343 1.045 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000283268150 375113196 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1.419 20 5 CDBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057718509 375566317 /nfs/dbraw/zinc/56/63/17/375566317.db2.gz XIMQBUQVERNMQR-SECBINFHSA-N 1 1 292.339 1.390 20 5 CDBDMO C[C@@H](C1CCC1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357034810 375877621 /nfs/dbraw/zinc/87/76/21/375877621.db2.gz JHICATZRYJFNIW-GXFFZTMASA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873794 375866085 /nfs/dbraw/zinc/86/60/85/375866085.db2.gz KMQGQKAYHXVWSQ-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873794 375866088 /nfs/dbraw/zinc/86/60/88/375866088.db2.gz KMQGQKAYHXVWSQ-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO COc1c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000134288071 375950980 /nfs/dbraw/zinc/95/09/80/375950980.db2.gz SJFVHHYLXGFGOZ-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO CCc1n[nH]c(C(=O)NCC[N@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000171807241 377053232 /nfs/dbraw/zinc/05/32/32/377053232.db2.gz IKZHWOBBMTUCDG-UHFFFAOYSA-N 1 1 295.343 1.094 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000354434881 377693922 /nfs/dbraw/zinc/69/39/22/377693922.db2.gz QKMWTSCITNUTPP-GHMZBOCLSA-N 1 1 294.355 1.868 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266946472 378885379 /nfs/dbraw/zinc/88/53/79/378885379.db2.gz YGWDXXULYQEODB-UHFFFAOYSA-N 1 1 286.335 1.891 20 5 CDBDMO CCC1(CC)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446717742 250308315 /nfs/dbraw/zinc/30/83/15/250308315.db2.gz UXUGRQURZOCIBO-CYBMUJFWSA-N 1 1 296.371 1.664 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173826074 379321710 /nfs/dbraw/zinc/32/17/10/379321710.db2.gz GUYUUOSTTBNGLK-LLVKDONJSA-N 1 1 298.339 1.685 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCNc1ccccc1[N+](=O)[O-] ZINC000289156444 197248494 /nfs/dbraw/zinc/24/84/94/197248494.db2.gz UBDFOXZRHHSOGT-UHFFFAOYSA-N 1 1 280.372 1.890 20 5 CDBDMO CN(CCCNc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289156444 197248496 /nfs/dbraw/zinc/24/84/96/197248496.db2.gz UBDFOXZRHHSOGT-UHFFFAOYSA-N 1 1 280.372 1.890 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC000450597188 251358000 /nfs/dbraw/zinc/35/80/00/251358000.db2.gz OUXCTRZGHDYJNE-GFCCVEGCSA-N 1 1 294.355 1.557 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2COCCO2)C2CC2)c1 ZINC000450500486 285153216 /nfs/dbraw/zinc/15/32/16/285153216.db2.gz NEBNLKXKFFSCNC-HNNXBMFYSA-N 1 1 292.335 1.975 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288406094 197069376 /nfs/dbraw/zinc/06/93/76/197069376.db2.gz LKZWXONMPQKMSF-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288406094 197069378 /nfs/dbraw/zinc/06/93/78/197069378.db2.gz LKZWXONMPQKMSF-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288406094 197069379 /nfs/dbraw/zinc/06/93/79/197069379.db2.gz LKZWXONMPQKMSF-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288406094 197069381 /nfs/dbraw/zinc/06/93/81/197069381.db2.gz LKZWXONMPQKMSF-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287036274 390824808 /nfs/dbraw/zinc/82/48/08/390824808.db2.gz WHMFJUJMYMTXKC-JTQLQIEISA-N 1 1 283.303 1.237 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000412070497 391103846 /nfs/dbraw/zinc/10/38/46/391103846.db2.gz OMSXVMXHEGYMSW-CYBMUJFWSA-N 1 1 296.327 1.103 20 5 CDBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000412070497 391103848 /nfs/dbraw/zinc/10/38/48/391103848.db2.gz OMSXVMXHEGYMSW-CYBMUJFWSA-N 1 1 296.327 1.103 20 5 CDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000189353205 391757939 /nfs/dbraw/zinc/75/79/39/391757939.db2.gz ZTDORXJXTTYQEG-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000189353205 391757940 /nfs/dbraw/zinc/75/79/40/391757940.db2.gz ZTDORXJXTTYQEG-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000341984805 130209103 /nfs/dbraw/zinc/20/91/03/130209103.db2.gz MBRKAJNZASDSIT-GWCFXTLKSA-N 1 1 277.324 1.409 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207608 391905605 /nfs/dbraw/zinc/90/56/05/391905605.db2.gz YHEGJENXSHALSX-AWEZNQCLSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330559709 392717229 /nfs/dbraw/zinc/71/72/29/392717229.db2.gz HMIOTLKDPACFRN-QWRGUYRKSA-N 1 1 294.355 1.773 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700303 392943075 /nfs/dbraw/zinc/94/30/75/392943075.db2.gz DSIBSPONKMGVNA-ZDUSSCGKSA-N 1 1 277.324 1.761 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000430208376 393093220 /nfs/dbraw/zinc/09/32/20/393093220.db2.gz OQSKDEMZYXXFPN-CQSZACIVSA-N 1 1 280.324 1.950 20 5 CDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430203579 393093664 /nfs/dbraw/zinc/09/36/64/393093664.db2.gz PBBCLXTWEXRDES-SNVBAGLBSA-N 1 1 296.323 1.844 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000430209503 393093675 /nfs/dbraw/zinc/09/36/75/393093675.db2.gz RHFSZARYYGCOHM-CQSZACIVSA-N 1 1 296.323 1.187 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000430209503 393093679 /nfs/dbraw/zinc/09/36/79/393093679.db2.gz RHFSZARYYGCOHM-CQSZACIVSA-N 1 1 296.323 1.187 20 5 CDBDMO CN(C)c1[nH+]cc(CNc2ncc([N+](=O)[O-])s2)n1C ZINC000282010883 393166873 /nfs/dbraw/zinc/16/68/73/393166873.db2.gz VDOPDUVZHREPIZ-UHFFFAOYSA-N 1 1 282.329 1.463 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351943449 393207425 /nfs/dbraw/zinc/20/74/25/393207425.db2.gz GEPWLQBVVBACJQ-NRUUGDAUSA-N 1 1 250.298 1.968 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276187 140336973 /nfs/dbraw/zinc/33/69/73/140336973.db2.gz CXFRMYBZVWKPPG-VFFGBVLKSA-N 1 1 291.351 1.922 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000261610166 140363741 /nfs/dbraw/zinc/36/37/41/140363741.db2.gz SGRGDDIXGRCMTQ-RAIGVLPGSA-N 1 1 261.325 1.764 20 5 CDBDMO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261660832 140370861 /nfs/dbraw/zinc/37/08/61/140370861.db2.gz ZEBYJHSQLAOUSM-FPMFFAJLSA-N 1 1 261.325 1.764 20 5 CDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898810 147072264 /nfs/dbraw/zinc/07/22/64/147072264.db2.gz CXFRMYBZVWKPPG-WMADIVHISA-N 1 1 291.351 1.922 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249025 152084563 /nfs/dbraw/zinc/08/45/63/152084563.db2.gz BWWYAJCXDCBNJH-NXEZZACHSA-N 1 1 278.312 1.280 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169313 153080654 /nfs/dbraw/zinc/08/06/54/153080654.db2.gz QDLYOABGADIPCL-NEPJUHHUSA-N 1 1 281.360 1.206 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362073900 159060746 /nfs/dbraw/zinc/06/07/46/159060746.db2.gz AKMZNZLODATKNV-NWDGAFQWSA-N 1 1 280.324 1.534 20 5 CDBDMO COCC[C@H]1CCCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000375113821 160346441 /nfs/dbraw/zinc/34/64/41/160346441.db2.gz KAWHJGKETSJJOU-GFCCVEGCSA-N 1 1 296.371 1.967 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682102 196364117 /nfs/dbraw/zinc/36/41/17/196364117.db2.gz NFNPZFYCVYFXAE-LLVKDONJSA-N 1 1 268.313 1.940 20 5 CDBDMO Cc1nn(C)c(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000040623905 174355382 /nfs/dbraw/zinc/35/53/82/174355382.db2.gz FJGPSHUNLJUMQN-LLVKDONJSA-N 1 1 281.360 1.779 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538545 175199982 /nfs/dbraw/zinc/19/99/82/175199982.db2.gz LPRLIJLOZHMIAW-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078779268 177387178 /nfs/dbraw/zinc/38/71/78/177387178.db2.gz MSEIFNNHGMHCDB-UHFFFAOYSA-N 1 1 252.314 1.840 20 5 CDBDMO C[N@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048802022 277052329 /nfs/dbraw/zinc/05/23/29/277052329.db2.gz JEUOOAZOXYVWFG-UHFFFAOYSA-N 1 1 253.277 1.876 20 5 CDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351128 277180402 /nfs/dbraw/zinc/18/04/02/277180402.db2.gz ZKABTWMZWZDMIN-LSDHHAIUSA-N 1 1 291.351 1.500 20 5 CDBDMO C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355551407 278343039 /nfs/dbraw/zinc/34/30/39/278343039.db2.gz ICAFSOJXLGTTLP-JTQLQIEISA-N 1 1 252.318 1.950 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000356836672 279101780 /nfs/dbraw/zinc/10/17/80/279101780.db2.gz BRCZZXMONBPOQI-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356836672 279101782 /nfs/dbraw/zinc/10/17/82/279101782.db2.gz BRCZZXMONBPOQI-MNOVXSKESA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480252 279102559 /nfs/dbraw/zinc/10/25/59/279102559.db2.gz DYYHLOKMVPTBDN-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354480252 279102560 /nfs/dbraw/zinc/10/25/60/279102560.db2.gz DYYHLOKMVPTBDN-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861988 280388596 /nfs/dbraw/zinc/38/85/96/280388596.db2.gz ADVGSFHOMLWNFL-AAEUAGOBSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCOCC1 ZINC000155838286 289252314 /nfs/dbraw/zinc/25/23/14/289252314.db2.gz VFPKVEVOUZNHPO-UHFFFAOYSA-N 1 1 295.339 1.115 20 5 CDBDMO CCC[N@H+](C)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350919743 316220693 /nfs/dbraw/zinc/22/06/93/316220693.db2.gz ZDNNRVHLBMWAHA-UHFFFAOYSA-N 1 1 294.315 1.529 20 5 CDBDMO CCC[N@@H+](C)Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000350919743 316220697 /nfs/dbraw/zinc/22/06/97/316220697.db2.gz ZDNNRVHLBMWAHA-UHFFFAOYSA-N 1 1 294.315 1.529 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000577092083 317264356 /nfs/dbraw/zinc/26/43/56/317264356.db2.gz DYPBREKABPUKBV-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000577092083 317264359 /nfs/dbraw/zinc/26/43/59/317264359.db2.gz DYPBREKABPUKBV-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578771006 324022217 /nfs/dbraw/zinc/02/22/17/324022217.db2.gz AURFQKPIZQEMNU-NWDGAFQWSA-N 1 1 293.371 1.150 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583224250 325132918 /nfs/dbraw/zinc/13/29/18/325132918.db2.gz MEHOPEMRHJLWCD-LBPRGKRZSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583224250 325132922 /nfs/dbraw/zinc/13/29/22/325132922.db2.gz MEHOPEMRHJLWCD-LBPRGKRZSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@@H+](CCNc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000338718333 521085034 /nfs/dbraw/zinc/08/50/34/521085034.db2.gz VHKAEUQASVIJQQ-UHFFFAOYSA-N 1 1 255.322 1.471 20 5 CDBDMO CNc1c(C(=O)NCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000161479606 522538521 /nfs/dbraw/zinc/53/85/21/522538521.db2.gz TVZNNGDLGJXCOP-UHFFFAOYSA-N 1 1 292.339 1.461 20 5 CDBDMO Cc1ccc(CNC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580267 /nfs/dbraw/zinc/58/02/67/524580267.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 1 1 292.383 1.239 20 5 CDBDMO Cc1ccc(CNC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580274 /nfs/dbraw/zinc/58/02/74/524580274.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 1 1 292.383 1.239 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCCO)CC(C)(C)C ZINC000355926888 527488630 /nfs/dbraw/zinc/48/86/30/527488630.db2.gz GSGHWBBRBQRYHG-UHFFFAOYSA-N 1 1 284.360 1.559 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCCO)CC(C)(C)C ZINC000355926888 527488636 /nfs/dbraw/zinc/48/86/36/527488636.db2.gz GSGHWBBRBQRYHG-UHFFFAOYSA-N 1 1 284.360 1.559 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000227824000 536182856 /nfs/dbraw/zinc/18/28/56/536182856.db2.gz MASNUNLULSBQRD-RYUDHWBXSA-N 1 1 293.371 1.929 20 5 CDBDMO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742234632 575938725 /nfs/dbraw/zinc/93/87/25/575938725.db2.gz GAYHDNYXGIOBER-ZCRIDZFUSA-N 1 1 289.335 1.771 20 5 CDBDMO Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000742197658 576586752 /nfs/dbraw/zinc/58/67/52/576586752.db2.gz UUZMEODOIUIJOA-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000742197658 576586755 /nfs/dbraw/zinc/58/67/55/576586755.db2.gz UUZMEODOIUIJOA-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000748350046 576907863 /nfs/dbraw/zinc/90/78/63/576907863.db2.gz NGJWMTZJOWTQMT-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000748350046 576907864 /nfs/dbraw/zinc/90/78/64/576907864.db2.gz NGJWMTZJOWTQMT-NSHDSACASA-N 1 1 277.324 1.300 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037739 576972840 /nfs/dbraw/zinc/97/28/40/576972840.db2.gz QQDIUFNXJIWXEE-ZDUSSCGKSA-N 1 1 295.339 1.038 20 5 CDBDMO CC[N@H+](CC(=O)N(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750037739 576972841 /nfs/dbraw/zinc/97/28/41/576972841.db2.gz QQDIUFNXJIWXEE-ZDUSSCGKSA-N 1 1 295.339 1.038 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1c([N+](=O)[O-])cnn1C ZINC000892666821 617572846 /nfs/dbraw/zinc/57/28/46/617572846.db2.gz MOHZXVUNBPNWJK-UHFFFAOYSA-N 1 1 264.289 1.335 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000894168164 618647850 /nfs/dbraw/zinc/64/78/50/618647850.db2.gz UNACGJQTKNZJSQ-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929099357 620951507 /nfs/dbraw/zinc/95/15/07/620951507.db2.gz GGTRFBUECVZPAX-ZIAGYGMSSA-N 1 1 289.335 1.472 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000899856504 622492037 /nfs/dbraw/zinc/49/20/37/622492037.db2.gz VBWZSUKQJUECJC-UHFFFAOYSA-N 1 1 263.341 1.517 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc([N+](=O)[O-])cc1F ZINC000902613598 625026339 /nfs/dbraw/zinc/02/63/39/625026339.db2.gz UHPICDLDLASRJN-UHFFFAOYSA-N 1 1 270.264 1.294 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153646118 631764999 /nfs/dbraw/zinc/76/49/99/631764999.db2.gz QUWQTNLSCHGTGO-GFCCVEGCSA-N 1 1 267.333 1.021 20 5 CDBDMO C[NH+](C)C(C)(C)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158634545 1178226588 /nfs/dbraw/zinc/22/65/88/1178226588.db2.gz FAZUZYKYYJWFKN-CYBMUJFWSA-N 1 1 281.356 1.558 20 5 CDBDMO C[N@@H+](CCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001753039111 1182202082 /nfs/dbraw/zinc/20/20/82/1182202082.db2.gz NJJHZIBLXKGWDI-UHFFFAOYSA-N 1 1 297.330 1.891 20 5 CDBDMO CC[N@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752181522 1184833167 /nfs/dbraw/zinc/83/31/67/1184833167.db2.gz BICRZGOTBMTXTI-UQRCUPDISA-N 1 1 289.763 1.232 20 5 CDBDMO CC[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752181522 1184833170 /nfs/dbraw/zinc/83/31/70/1184833170.db2.gz BICRZGOTBMTXTI-UQRCUPDISA-N 1 1 289.763 1.232 20 5 CDBDMO CC[N@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752181522 1184833176 /nfs/dbraw/zinc/83/31/76/1184833176.db2.gz BICRZGOTBMTXTI-UQRCUPDISA-N 1 1 289.763 1.232 20 5 CDBDMO Cc1cnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000408068097 719155301 /nfs/dbraw/zinc/15/53/01/719155301.db2.gz RKRZROQHNRARDO-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154059099 719372440 /nfs/dbraw/zinc/37/24/40/719372440.db2.gz VNSLRFGAIYZINC-WDEREUQCSA-N 1 1 298.730 1.162 20 5 CDBDMO C[C@H]1CCC[C@@](CNC(=O)[C@@H]2CC2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570599 739278227 /nfs/dbraw/zinc/27/82/27/739278227.db2.gz GLRVLVQCGOUDTA-FMCLSXCISA-N 1 1 283.372 1.278 20 5 CDBDMO CC[C@H](CO)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882031900 739978481 /nfs/dbraw/zinc/97/84/81/739978481.db2.gz QPEQZXQMCXZSKI-SNVBAGLBSA-N 1 1 298.318 1.022 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712527813 740218134 /nfs/dbraw/zinc/21/81/34/740218134.db2.gz HAAUKDVEEUBCOX-QMMMGPOBSA-N 1 1 256.693 1.759 20 5 CDBDMO C[N@H+]1CC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000712527813 740218139 /nfs/dbraw/zinc/21/81/39/740218139.db2.gz HAAUKDVEEUBCOX-QMMMGPOBSA-N 1 1 256.693 1.759 20 5 CDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C[NH+](C)C ZINC000866262561 740585475 /nfs/dbraw/zinc/58/54/75/740585475.db2.gz BUYNROVAJDFDOS-MFKMUULPSA-N 1 1 299.346 1.177 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147302 740577784 /nfs/dbraw/zinc/57/77/84/740577784.db2.gz BWPGIHLTNWYEDD-KGLIPLIRSA-N 1 1 277.368 1.858 20 5 CDBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000819010427 740806084 /nfs/dbraw/zinc/80/60/84/740806084.db2.gz DBTPEOFZELYPBH-IAQYHMDHSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000819010427 740806085 /nfs/dbraw/zinc/80/60/85/740806085.db2.gz DBTPEOFZELYPBH-IAQYHMDHSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787101455 740873090 /nfs/dbraw/zinc/87/30/90/740873090.db2.gz IHSGXMUWCIWLBC-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000840120768 741222683 /nfs/dbraw/zinc/22/26/83/741222683.db2.gz OFEBYNABHPCFJG-YRGRVCCFSA-N 1 1 294.355 1.683 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000929190413 741800627 /nfs/dbraw/zinc/80/06/27/741800627.db2.gz YKQZAGKDIFVOFA-UHFFFAOYSA-N 1 1 279.340 1.232 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1N1CCOCC1 ZINC000929190413 741800630 /nfs/dbraw/zinc/80/06/30/741800630.db2.gz YKQZAGKDIFVOFA-UHFFFAOYSA-N 1 1 279.340 1.232 20 5 CDBDMO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000852429868 741861538 /nfs/dbraw/zinc/86/15/38/741861538.db2.gz ANMHMAXLZJZTCW-CYBMUJFWSA-N 1 1 291.307 1.621 20 5 CDBDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000852429868 741861540 /nfs/dbraw/zinc/86/15/40/741861540.db2.gz ANMHMAXLZJZTCW-CYBMUJFWSA-N 1 1 291.307 1.621 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723690605 742067257 /nfs/dbraw/zinc/06/72/57/742067257.db2.gz TZJACMCPWMQJIK-NSHDSACASA-N 1 1 279.340 1.774 20 5 CDBDMO Cc1nn(C[N@@H+](C)CC2(C)COC2)c(C)c1[N+](=O)[O-] ZINC000863299393 742080691 /nfs/dbraw/zinc/08/06/91/742080691.db2.gz JUKFORQEJJEGNO-UHFFFAOYSA-N 1 1 268.317 1.334 20 5 CDBDMO Cc1nn(C[N@H+](C)CC2(C)COC2)c(C)c1[N+](=O)[O-] ZINC000863299393 742080695 /nfs/dbraw/zinc/08/06/95/742080695.db2.gz JUKFORQEJJEGNO-UHFFFAOYSA-N 1 1 268.317 1.334 20 5 CDBDMO O=C1CC[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000886278714 742156456 /nfs/dbraw/zinc/15/64/56/742156456.db2.gz HLYAJPUFXAUISO-JQWIXIFHSA-N 1 1 290.323 1.090 20 5 CDBDMO O=C1CC[C@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000886278714 742156464 /nfs/dbraw/zinc/15/64/64/742156464.db2.gz HLYAJPUFXAUISO-JQWIXIFHSA-N 1 1 290.323 1.090 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492172 742373742 /nfs/dbraw/zinc/37/37/42/742373742.db2.gz PWJXUVQWIBOKJM-FZMZJTMJSA-N 1 1 291.351 1.909 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000832783335 739275741 /nfs/dbraw/zinc/27/57/41/739275741.db2.gz QCJGMHNVAQHELX-SWLSCSKDSA-N 1 1 294.351 1.723 20 5 CDBDMO C[NH+](C)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000097930852 739834591 /nfs/dbraw/zinc/83/45/91/739834591.db2.gz FTQBABRMBLMJSF-AWEZNQCLSA-N 1 1 293.367 1.702 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCC[N@H+]2CC[C@H](O)C2)c1 ZINC000858338622 739945610 /nfs/dbraw/zinc/94/56/10/739945610.db2.gz ITBXFNVBDYAKFT-LBPRGKRZSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000858338622 739945615 /nfs/dbraw/zinc/94/56/15/739945615.db2.gz ITBXFNVBDYAKFT-LBPRGKRZSA-N 1 1 299.758 1.404 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000776596481 741067863 /nfs/dbraw/zinc/06/78/63/741067863.db2.gz FCCCCJNHJNSEDF-SWHYSGLUSA-N 1 1 280.324 1.331 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591492 741085194 /nfs/dbraw/zinc/08/51/94/741085194.db2.gz QYHWMUIILAFTMU-KBPBESRZSA-N 1 1 294.351 1.864 20 5 CDBDMO Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000105909071 741530842 /nfs/dbraw/zinc/53/08/42/741530842.db2.gz NBAMTAGEHMOFJY-CYBMUJFWSA-N 1 1 277.280 1.714 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823993676 741597964 /nfs/dbraw/zinc/59/79/64/741597964.db2.gz IPHODOVBNIMQPJ-UHFFFAOYSA-N 1 1 295.343 1.639 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000886162256 742021740 /nfs/dbraw/zinc/02/17/40/742021740.db2.gz KWBZQTFFYQNXFA-HAQNSBGRSA-N 1 1 265.313 1.725 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000408114322 742358252 /nfs/dbraw/zinc/35/82/52/742358252.db2.gz XAPAOJYUYSWKPN-QMMMGPOBSA-N 1 1 281.341 1.444 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000819916456 742720114 /nfs/dbraw/zinc/72/01/14/742720114.db2.gz NRNWPFBJFLQENC-UHFFFAOYSA-N 1 1 278.312 1.600 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000695903001 900070414 /nfs/dbraw/zinc/07/04/14/900070414.db2.gz DWIQOAHNSXZADL-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000695903001 900070424 /nfs/dbraw/zinc/07/04/24/900070424.db2.gz DWIQOAHNSXZADL-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000695903001 900070436 /nfs/dbraw/zinc/07/04/36/900070436.db2.gz DWIQOAHNSXZADL-RISCZKNCSA-N 1 1 278.356 1.641 20 5 CDBDMO COc1cc(NCc2ccc(N)[nH+]c2C)cnc1[N+](=O)[O-] ZINC001167786168 900701408 /nfs/dbraw/zinc/70/14/08/900701408.db2.gz NGMJUYQOINFRTB-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO CNc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCSCC1 ZINC001167835611 901257417 /nfs/dbraw/zinc/25/74/17/901257417.db2.gz YUFJIZTZNDQZAK-UHFFFAOYSA-N 1 1 297.384 1.492 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226751715 905568669 /nfs/dbraw/zinc/56/86/69/905568669.db2.gz PVQDQGPDPIEJDO-SECBINFHSA-N 1 1 278.243 1.719 20 5 CDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161484754 910292641 /nfs/dbraw/zinc/29/26/41/910292641.db2.gz NAEDIEIAIFKYME-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161484754 910292652 /nfs/dbraw/zinc/29/26/52/910292652.db2.gz NAEDIEIAIFKYME-SNVBAGLBSA-N 1 1 292.339 1.413 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117734 911163610 /nfs/dbraw/zinc/16/36/10/911163610.db2.gz MIPPPFGHLIEQOV-YPMHNXCESA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117734 911163625 /nfs/dbraw/zinc/16/36/25/911163625.db2.gz MIPPPFGHLIEQOV-YPMHNXCESA-N 1 1 284.287 1.052 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001168754171 922578269 /nfs/dbraw/zinc/57/82/69/922578269.db2.gz KYMDXKIHHXHRHD-UHFFFAOYSA-N 1 1 287.201 1.653 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839192627 936908663 /nfs/dbraw/zinc/90/86/63/936908663.db2.gz LPPJXSXYVZAWGV-VHDGCEQUSA-N 1 1 292.335 1.739 20 5 CDBDMO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762003 936923893 /nfs/dbraw/zinc/92/38/93/936923893.db2.gz OFYRYSSPMCKNQS-CHWSQXEVSA-N 1 1 283.372 1.376 20 5 CDBDMO [NH3+]CCONc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001164414517 924876829 /nfs/dbraw/zinc/87/68/29/924876829.db2.gz KANKWYDTEMIBRA-UHFFFAOYSA-N 1 1 266.232 1.584 20 5 CDBDMO COCCCN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168974662 927599608 /nfs/dbraw/zinc/59/96/08/927599608.db2.gz SAIMQMOZTGZRTQ-UKRRQHHQSA-N 1 1 299.415 1.522 20 5 CDBDMO C[N@@H+](Cc1nnc2ccccn21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011835 927617077 /nfs/dbraw/zinc/61/70/77/927617077.db2.gz MRGSOZWMIOOUFA-NEPJUHHUSA-N 1 1 289.339 1.607 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)C1 ZINC001169013001 927620507 /nfs/dbraw/zinc/62/05/07/927620507.db2.gz SWKWTBGUVXHPFX-KXNHARMFSA-N 1 1 260.309 1.227 20 5 CDBDMO CC(=O)N1CCC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037743 927646876 /nfs/dbraw/zinc/64/68/76/927646876.db2.gz TXZKUKDYYJZDBS-TZMCWYRMSA-N 1 1 283.372 1.375 20 5 CDBDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169019154 927660120 /nfs/dbraw/zinc/66/01/20/927660120.db2.gz FABWJLSHXQUTFB-WUHRBBMRSA-N 1 1 281.356 1.127 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H]2c2cccnc2)C1 ZINC001169046697 927665750 /nfs/dbraw/zinc/66/57/50/927665750.db2.gz LYLFDHNUAGFNJL-VHDGCEQUSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@H]2c2cccnc2)C1 ZINC001169046697 927665753 /nfs/dbraw/zinc/66/57/53/927665753.db2.gz LYLFDHNUAGFNJL-VHDGCEQUSA-N 1 1 291.351 1.900 20 5 CDBDMO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056334 927672241 /nfs/dbraw/zinc/67/22/41/927672241.db2.gz RVJXZZXNDGCNCA-QWQWKMKNSA-N 1 1 282.340 1.458 20 5 CDBDMO O=C1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]12 ZINC001169057949 927675810 /nfs/dbraw/zinc/67/58/10/927675810.db2.gz ZIBRYQDQRMZTER-LPWJVIDDSA-N 1 1 266.341 1.733 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001156648550 928878781 /nfs/dbraw/zinc/87/87/81/928878781.db2.gz RANIHLIYFYWJDK-NSHDSACASA-N 1 1 293.714 1.947 20 5 CDBDMO COc1cnc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157009067 929103117 /nfs/dbraw/zinc/10/31/17/929103117.db2.gz DIQFNDGAYDZNBY-LLVKDONJSA-N 1 1 294.355 1.917 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001162330557 939025778 /nfs/dbraw/zinc/02/57/78/939025778.db2.gz HAAHRLQFPAJCMY-LLVKDONJSA-N 1 1 285.735 1.934 20 5 CDBDMO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CCC1(F)F ZINC001164317149 939452999 /nfs/dbraw/zinc/45/29/99/939452999.db2.gz NJPCCLRISIQUAI-ZETCQYMHSA-N 1 1 292.673 1.816 20 5 CDBDMO Cc1cc(O[C@H]2C[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC001218233996 941047364 /nfs/dbraw/zinc/04/73/64/941047364.db2.gz BQHBACWGUUJVJU-JTQLQIEISA-N 1 1 258.224 1.889 20 5 CDBDMO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1COC[NH2+]1 ZINC001218979796 941296240 /nfs/dbraw/zinc/29/62/40/941296240.db2.gz YRUANDWVTCWWIF-ZDUSSCGKSA-N 1 1 294.314 1.667 20 5 CDBDMO COc1cc(CO[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223393092 941674649 /nfs/dbraw/zinc/67/46/49/941674649.db2.gz KBVGGFDZPIAEPJ-GFCCVEGCSA-N 1 1 266.297 1.824 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1OC1CC[NH+](CCF)CC1 ZINC001226757626 942064162 /nfs/dbraw/zinc/06/41/62/942064162.db2.gz WJSMGOBWYJFNBL-UHFFFAOYSA-N 1 1 287.266 1.942 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226764881 942064755 /nfs/dbraw/zinc/06/47/55/942064755.db2.gz NQYTWQPKQFDKNX-GFCCVEGCSA-N 1 1 281.312 1.398 20 5 CDBDMO CC[N@@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602848 942340208 /nfs/dbraw/zinc/34/02/08/942340208.db2.gz GEVGWTYATNYGGT-VIFPVBQESA-N 1 1 294.311 1.441 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602848 942340211 /nfs/dbraw/zinc/34/02/11/942340211.db2.gz GEVGWTYATNYGGT-VIFPVBQESA-N 1 1 294.311 1.441 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802212 942378993 /nfs/dbraw/zinc/37/89/93/942378993.db2.gz GODCGPPLSKFSMN-SECBINFHSA-N 1 1 290.275 1.784 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885929 942724052 /nfs/dbraw/zinc/72/40/52/942724052.db2.gz ZLVMKDYFSJKTIR-VIFPVBQESA-O 1 1 280.323 1.948 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)C1 ZINC001254550650 947521471 /nfs/dbraw/zinc/52/14/71/947521471.db2.gz NWBLDOAUIURAFD-CMPLNLGQSA-N 1 1 250.298 1.592 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001254550179 947521692 /nfs/dbraw/zinc/52/16/92/947521692.db2.gz DZRWVSFZKDYIJP-QKCSRTOESA-N 1 1 282.315 1.931 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)OCCO2 ZINC001254558542 947526237 /nfs/dbraw/zinc/52/62/37/947526237.db2.gz CGNMWQLJQYZDLA-LBPRGKRZSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)OCCO2 ZINC001254558542 947526243 /nfs/dbraw/zinc/52/62/43/947526243.db2.gz CGNMWQLJQYZDLA-LBPRGKRZSA-N 1 1 292.335 1.975 20 5 CDBDMO CO[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254593667 947546133 /nfs/dbraw/zinc/54/61/33/947546133.db2.gz NSDUPQNBXAXLPP-ZIAGYGMSSA-N 1 1 262.309 1.783 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@H+]3CC[C@@H]3C1)C2 ZINC001254605695 947553878 /nfs/dbraw/zinc/55/38/78/947553878.db2.gz CQOYWWPOSQCTPA-CABCVRRESA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCN3CC[C@@H]3C1)C2 ZINC001254605695 947553882 /nfs/dbraw/zinc/55/38/82/947553882.db2.gz CQOYWWPOSQCTPA-CABCVRRESA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCN3CC[C@@H]3C1)C2 ZINC001254605695 947553884 /nfs/dbraw/zinc/55/38/84/947553884.db2.gz CQOYWWPOSQCTPA-CABCVRRESA-N 1 1 273.336 1.452 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001318839261 958275022 /nfs/dbraw/zinc/27/50/22/958275022.db2.gz IBJPJLQZVCJEAJ-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO C[N@@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001334744451 959320185 /nfs/dbraw/zinc/32/01/85/959320185.db2.gz FVPGRGBHBFWXTD-UHFFFAOYSA-N 1 1 289.335 1.921 20 5 CDBDMO CCOCC[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320877872 959434466 /nfs/dbraw/zinc/43/44/66/959434466.db2.gz FODQBCMPWMDTAX-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337837117 961459979 /nfs/dbraw/zinc/45/99/79/961459979.db2.gz PBKSKHNJHFCZCO-VIFPVBQESA-N 1 1 267.333 1.714 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505075 965560633 /nfs/dbraw/zinc/56/06/33/965560633.db2.gz VLCNQNCDWJIWPZ-LLVKDONJSA-N 1 1 277.324 1.809 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CO)CC1 ZINC000586782687 342468855 /nfs/dbraw/zinc/46/88/55/342468855.db2.gz MUVOIJTVFYMEOK-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(CO)CC1 ZINC000586782687 342468856 /nfs/dbraw/zinc/46/88/56/342468856.db2.gz MUVOIJTVFYMEOK-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)CC(F)F)c2c1 ZINC000601155950 342483832 /nfs/dbraw/zinc/48/38/32/342483832.db2.gz PBUOOBQAAKSTRV-MRVPVSSYSA-N 1 1 297.261 1.993 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000599199844 343979776 /nfs/dbraw/zinc/97/97/76/343979776.db2.gz SMWOMUTZSZSTLV-NSHDSACASA-N 1 1 265.313 1.382 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590577918 342577294 /nfs/dbraw/zinc/57/72/94/342577294.db2.gz JKOKIQHPNSFTSI-NSHDSACASA-N 1 1 293.371 1.740 20 5 CDBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000565532804 365671773 /nfs/dbraw/zinc/67/17/73/365671773.db2.gz WKTIDKFTXHZYFQ-LLVKDONJSA-N 1 1 277.324 1.551 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cocn2)c1 ZINC000591735421 342644886 /nfs/dbraw/zinc/64/48/86/342644886.db2.gz ZHAFVWKOFCYGKS-LBPRGKRZSA-N 1 1 293.279 1.112 20 5 CDBDMO O=[N+]([O-])c1cc(O)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356870 342688467 /nfs/dbraw/zinc/68/84/67/342688467.db2.gz IYSLLEJAJTYANK-SNVBAGLBSA-N 1 1 276.252 1.775 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000588858188 342223010 /nfs/dbraw/zinc/22/30/10/342223010.db2.gz QAFOXXFHIKVQHH-UHFFFAOYSA-N 1 1 286.401 1.952 20 5 CDBDMO CN(CCCNc1sccc1[N+](=O)[O-])CC[NH+](C)C ZINC000588858188 342223011 /nfs/dbraw/zinc/22/30/11/342223011.db2.gz QAFOXXFHIKVQHH-UHFFFAOYSA-N 1 1 286.401 1.952 20 5 CDBDMO CC[N@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600717272 342244306 /nfs/dbraw/zinc/24/43/06/342244306.db2.gz PTXUYJCBCMJCQL-UHFFFAOYSA-N 1 1 280.328 1.204 20 5 CDBDMO CC[N@@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600717272 342244307 /nfs/dbraw/zinc/24/43/07/342244307.db2.gz PTXUYJCBCMJCQL-UHFFFAOYSA-N 1 1 280.328 1.204 20 5 CDBDMO CC1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075768056 342317179 /nfs/dbraw/zinc/31/71/79/342317179.db2.gz GCWIJBWJGJCYEX-ZDUSSCGKSA-N 1 1 296.371 1.664 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076707786 342324610 /nfs/dbraw/zinc/32/46/10/342324610.db2.gz KOXNAGZCPKXYBF-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076707786 342324611 /nfs/dbraw/zinc/32/46/11/342324611.db2.gz KOXNAGZCPKXYBF-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1noc(CN(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000595546464 343084054 /nfs/dbraw/zinc/08/40/54/343084054.db2.gz OFNIPVMBBSPZJH-JTQLQIEISA-N 1 1 268.317 1.417 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000596200249 343263411 /nfs/dbraw/zinc/26/34/11/343263411.db2.gz JMEJXWHRXFADOY-MRVPVSSYSA-N 1 1 293.714 1.689 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C[N@@H+]1C ZINC000535084356 282239432 /nfs/dbraw/zinc/23/94/32/282239432.db2.gz DUHOAJUMPLDXAD-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C[N@H+]1C ZINC000535084356 282239436 /nfs/dbraw/zinc/23/94/36/282239436.db2.gz DUHOAJUMPLDXAD-ZJUUUORDSA-N 1 1 280.328 1.098 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270905081 362166202 /nfs/dbraw/zinc/16/62/02/362166202.db2.gz KPBPAUMBBJIJOJ-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270905081 362166207 /nfs/dbraw/zinc/16/62/07/362166207.db2.gz KPBPAUMBBJIJOJ-UHFFFAOYSA-N 1 1 277.324 1.761 20 5 CDBDMO Cc1nc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596428021 343312391 /nfs/dbraw/zinc/31/23/91/343312391.db2.gz GMPPKHUYMSHSQQ-MNOVXSKESA-N 1 1 294.355 1.241 20 5 CDBDMO Cc1nc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596428021 343312393 /nfs/dbraw/zinc/31/23/93/343312393.db2.gz GMPPKHUYMSHSQQ-MNOVXSKESA-N 1 1 294.355 1.241 20 5 CDBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)(C)O ZINC000602772134 344576346 /nfs/dbraw/zinc/57/63/46/344576346.db2.gz JRQRLCVJPKGGHK-UHFFFAOYSA-N 1 1 284.360 1.583 20 5 CDBDMO C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602713800 344554219 /nfs/dbraw/zinc/55/42/19/344554219.db2.gz CXDAQZVTUPIVNS-KXQLTZBTSA-N 1 1 291.351 1.216 20 5 CDBDMO CC[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602774428 344577719 /nfs/dbraw/zinc/57/77/19/344577719.db2.gz ZKCOPRYPGOXPQR-LLVKDONJSA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000602795575 344586632 /nfs/dbraw/zinc/58/66/32/344586632.db2.gz NMMDFAIHNRZOBX-NWDGAFQWSA-N 1 1 282.344 1.193 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCn1ccnc1 ZINC000602797149 344587991 /nfs/dbraw/zinc/58/79/91/344587991.db2.gz HBIFRBQTOTWSGT-UHFFFAOYSA-N 1 1 292.343 1.318 20 5 CDBDMO CCCC[N@@H+](CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602786442 344599840 /nfs/dbraw/zinc/59/98/40/344599840.db2.gz TZZJLDWSUAVFFR-UHFFFAOYSA-N 1 1 284.360 1.848 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](C)OC ZINC000602837599 344619365 /nfs/dbraw/zinc/61/93/65/344619365.db2.gz NXHFWCCFFFXKAA-SNVBAGLBSA-N 1 1 270.333 1.457 20 5 CDBDMO Cc1nn(C[C@H]2CC[N@H+](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603327711 344776471 /nfs/dbraw/zinc/77/64/71/344776471.db2.gz PXHSSWGFLPFZSG-JTQLQIEISA-N 1 1 275.312 1.600 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000159284530 344806606 /nfs/dbraw/zinc/80/66/06/344806606.db2.gz CNZJMTORKGSJNR-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000292904073 362518338 /nfs/dbraw/zinc/51/83/38/362518338.db2.gz AREMZQDUAICMCD-CYBMUJFWSA-N 1 1 280.324 1.820 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293196374 362538304 /nfs/dbraw/zinc/53/83/04/362538304.db2.gz QMZWGFRYBKEWDW-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000619491837 346027983 /nfs/dbraw/zinc/02/79/83/346027983.db2.gz WEDFJAMPICEXTR-ZJUUUORDSA-N 1 1 285.369 1.548 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000619491837 346027988 /nfs/dbraw/zinc/02/79/88/346027988.db2.gz WEDFJAMPICEXTR-ZJUUUORDSA-N 1 1 285.369 1.548 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000610211551 346219587 /nfs/dbraw/zinc/21/95/87/346219587.db2.gz DBXTVMVQGVVCAN-UHFFFAOYSA-N 1 1 270.333 1.132 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000610447592 346284038 /nfs/dbraw/zinc/28/40/38/346284038.db2.gz NHAMPSCFXAEQIR-UHFFFAOYSA-N 1 1 282.344 1.682 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[N@@H+](C)C3)n2)n1C ZINC000350257531 346334828 /nfs/dbraw/zinc/33/48/28/346334828.db2.gz ANAFXHSZYGXSRQ-QMMMGPOBSA-N 1 1 292.299 1.106 20 5 CDBDMO COC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610615578 346323167 /nfs/dbraw/zinc/32/31/67/346323167.db2.gz RSUIGXISQBCSIV-GFCCVEGCSA-N 1 1 293.323 1.305 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000610762683 346398215 /nfs/dbraw/zinc/39/82/15/346398215.db2.gz NXSMNHXKKHVNHF-UXIGCNINSA-N 1 1 292.335 1.819 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000612792251 347281149 /nfs/dbraw/zinc/28/11/49/347281149.db2.gz GBKKBMQOUQCICR-NXEZZACHSA-N 1 1 265.317 1.304 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000047226728 348808172 /nfs/dbraw/zinc/80/81/72/348808172.db2.gz FPNNRGCHAHIHSZ-ZIAGYGMSSA-N 1 1 289.335 1.951 20 5 CDBDMO CSCC[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554439 180002505 /nfs/dbraw/zinc/00/25/05/180002505.db2.gz HIBULXARLJIFKC-NSHDSACASA-N 1 1 299.396 1.830 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123313304 187084469 /nfs/dbraw/zinc/08/44/69/187084469.db2.gz QHBYZXZVSKJYSQ-JFGNBEQYSA-N 1 1 268.317 1.025 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152765287 188041708 /nfs/dbraw/zinc/04/17/08/188041708.db2.gz GEDQLHSIDKWZTF-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152765287 188041710 /nfs/dbraw/zinc/04/17/10/188041710.db2.gz GEDQLHSIDKWZTF-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000154660427 188155713 /nfs/dbraw/zinc/15/57/13/188155713.db2.gz QUSZUVXGBSGQSK-UONOGXRCSA-N 1 1 296.367 1.967 20 5 CDBDMO CC[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265540714 363339044 /nfs/dbraw/zinc/33/90/44/363339044.db2.gz WTLAUIKFLAVERU-UHFFFAOYSA-N 1 1 281.312 1.238 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170981951 356371351 /nfs/dbraw/zinc/37/13/51/356371351.db2.gz UUJIIEBDEXKJAO-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCOC(C)(C)C1 ZINC000170981951 356371362 /nfs/dbraw/zinc/37/13/62/356371362.db2.gz UUJIIEBDEXKJAO-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905703 363534852 /nfs/dbraw/zinc/53/48/52/363534852.db2.gz OKFQJADMWGNXMO-PWSUYJOCSA-N 1 1 266.297 1.429 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341383298 357244793 /nfs/dbraw/zinc/24/47/93/357244793.db2.gz RQVBBAUFCUWZQP-LBPRGKRZSA-N 1 1 297.742 1.959 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000184785446 357495128 /nfs/dbraw/zinc/49/51/28/357495128.db2.gz 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O=C(NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000264801896 358680357 /nfs/dbraw/zinc/68/03/57/358680357.db2.gz NCIQTXOOXGUFLB-UHFFFAOYSA-N 1 1 295.364 1.373 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCOC1 ZINC000176236312 358749272 /nfs/dbraw/zinc/74/92/72/358749272.db2.gz CZMMFENSDNXGEW-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000291033231 358817100 /nfs/dbraw/zinc/81/71/00/358817100.db2.gz WGKXCUHHDPNYFI-VIFPVBQESA-N 1 1 297.359 1.477 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264931619 358779299 /nfs/dbraw/zinc/77/92/99/358779299.db2.gz SNUYAVSVIHWSCM-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000251669371 140311717 /nfs/dbraw/zinc/31/17/17/140311717.db2.gz LPAUCAJUUVMWHK-ZWNOBZJWSA-N 1 1 250.298 1.798 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808857 359050279 /nfs/dbraw/zinc/05/02/79/359050279.db2.gz WSCIBVZIINIUOF-NSHDSACASA-N 1 1 279.344 1.917 20 5 CDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000450782510 359004877 /nfs/dbraw/zinc/00/48/77/359004877.db2.gz XSUNNROMLWBWME-ABAIWWIYSA-N 1 1 289.335 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000050104489 359303532 /nfs/dbraw/zinc/30/35/32/359303532.db2.gz XDHJYCZBLNOMKJ-CYBMUJFWSA-N 1 1 264.325 1.842 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C)CC1 ZINC000119943017 359466377 /nfs/dbraw/zinc/46/63/77/359466377.db2.gz ZSPJGZKKQPHURY-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C(C)C ZINC000049826037 359499004 /nfs/dbraw/zinc/49/90/04/359499004.db2.gz OWKLKIMWDLIZAC-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO CC[C@@]1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613499 359760416 /nfs/dbraw/zinc/76/04/16/359760416.db2.gz KJRFLYNEIIOZQZ-AWEZNQCLSA-N 1 1 295.339 1.257 20 5 CDBDMO CC[C@@]1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000135613499 359760418 /nfs/dbraw/zinc/76/04/18/359760418.db2.gz KJRFLYNEIIOZQZ-AWEZNQCLSA-N 1 1 295.339 1.257 20 5 CDBDMO Cc1nc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553306 200225703 /nfs/dbraw/zinc/22/57/03/200225703.db2.gz QYPNUBDNSVYRQF-WCBMZHEXSA-N 1 1 277.328 1.730 20 5 CDBDMO CN(C)c1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC000070144032 361634571 /nfs/dbraw/zinc/63/45/71/361634571.db2.gz QVYICTFTKGMSED-UHFFFAOYSA-N 1 1 289.339 1.684 20 5 CDBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889762 364438555 /nfs/dbraw/zinc/43/85/55/364438555.db2.gz ZBHPIBNGLKSSCH-OLZOCXBDSA-N 1 1 296.371 1.807 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174881266 364588230 /nfs/dbraw/zinc/58/82/30/364588230.db2.gz BEFQPNIEXQPRCY-LLVKDONJSA-N 1 1 270.358 1.619 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563503 364890445 /nfs/dbraw/zinc/89/04/45/364890445.db2.gz MJUXZVBRHIDRKI-SMDDNHRTSA-N 1 1 280.324 1.676 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172749 365383469 /nfs/dbraw/zinc/38/34/69/365383469.db2.gz GZJSSYQNKGVJOR-NSHDSACASA-N 1 1 294.355 1.488 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccccc2C1 ZINC000090511357 367470610 /nfs/dbraw/zinc/47/06/10/367470610.db2.gz CPIXPMFXERDDFD-UHFFFAOYSA-N 1 1 299.330 1.815 20 5 CDBDMO CCCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000441201632 368416416 /nfs/dbraw/zinc/41/64/16/368416416.db2.gz MYYPXIRBXOPGFC-CYBMUJFWSA-N 1 1 282.344 1.417 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361385222 368791864 /nfs/dbraw/zinc/79/18/64/368791864.db2.gz ONIARZPFGUBLFB-SECBINFHSA-N 1 1 254.261 1.955 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361385222 368791867 /nfs/dbraw/zinc/79/18/67/368791867.db2.gz ONIARZPFGUBLFB-SECBINFHSA-N 1 1 254.261 1.955 20 5 CDBDMO Cc1nc(N(C)C[C@@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC000420630760 244297961 /nfs/dbraw/zinc/29/79/61/244297961.db2.gz FPRUROQGLWUFAM-JTQLQIEISA-N 1 1 265.317 1.224 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1 ZINC000330851900 203313577 /nfs/dbraw/zinc/31/35/77/203313577.db2.gz QHMALSDKCQLNNS-LBPRGKRZSA-N 1 1 268.338 1.505 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000330851900 203313580 /nfs/dbraw/zinc/31/35/80/203313580.db2.gz QHMALSDKCQLNNS-LBPRGKRZSA-N 1 1 268.338 1.505 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669773 369879904 /nfs/dbraw/zinc/87/99/04/369879904.db2.gz OQRWRQOIYIHOQK-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@@H]1CC[NH2+]C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422746230 245206767 /nfs/dbraw/zinc/20/67/67/245206767.db2.gz WFKRERGXEHZSMM-RISCZKNCSA-N 1 1 263.341 1.725 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356750452 373049394 /nfs/dbraw/zinc/04/93/94/373049394.db2.gz DAYQIXLQYUKGBA-VIFPVBQESA-N 1 1 297.359 1.339 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298892934 374253104 /nfs/dbraw/zinc/25/31/04/374253104.db2.gz SNTLBWYQZHATBD-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000369205405 374347698 /nfs/dbraw/zinc/34/76/98/374347698.db2.gz JNDLQKQLJAMBFW-LBPRGKRZSA-N 1 1 292.339 1.088 20 5 CDBDMO Cc1c([C@H](C)NC[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423531724 374388276 /nfs/dbraw/zinc/38/82/76/374388276.db2.gz YOGNKLSCOWBVQP-RYUDHWBXSA-N 1 1 279.340 1.542 20 5 CDBDMO Cc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000371109068 374408987 /nfs/dbraw/zinc/40/89/87/374408987.db2.gz UQTVSRHEHWZKTG-LBPRGKRZSA-N 1 1 292.339 1.209 20 5 CDBDMO Cc1nn(C)c(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000299133577 374426453 /nfs/dbraw/zinc/42/64/53/374426453.db2.gz DQNWNSSSEZXBRD-UHFFFAOYSA-N 1 1 297.359 1.097 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589268 374527050 /nfs/dbraw/zinc/52/70/50/374527050.db2.gz LODJMGJJGFJSOA-SNVBAGLBSA-N 1 1 287.323 1.902 20 5 CDBDMO CC(C)(CC[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000424049367 246307168 /nfs/dbraw/zinc/30/71/68/246307168.db2.gz UVXPIINNACGWOG-UHFFFAOYSA-N 1 1 291.311 1.328 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279807757 374963350 /nfs/dbraw/zinc/96/33/50/374963350.db2.gz PRGGISWNHYLGBS-STQMWFEESA-N 1 1 280.324 1.331 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299599785 375185195 /nfs/dbraw/zinc/18/51/95/375185195.db2.gz GWXPJLYIRCZFPK-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO COc1ccc(OCC[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351836720 375333827 /nfs/dbraw/zinc/33/38/27/375333827.db2.gz WYMHDTRBZSWPJN-GWCFXTLKSA-N 1 1 296.323 1.295 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351943447 375344252 /nfs/dbraw/zinc/34/42/52/375344252.db2.gz GEPWLQBVVBACJQ-GBIKHYSHSA-N 1 1 250.298 1.968 20 5 CDBDMO CC(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304391966 375443719 /nfs/dbraw/zinc/44/37/19/375443719.db2.gz NFQUZXGZCGHSAP-GXTWGEPZSA-N 1 1 296.371 1.520 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426457689 247027817 /nfs/dbraw/zinc/02/78/17/247027817.db2.gz YVCWGLXCFAXWNH-NXEZZACHSA-N 1 1 250.302 1.703 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000294070879 375660573 /nfs/dbraw/zinc/66/05/73/375660573.db2.gz VWCUHGYPSLCLTQ-PHIMTYICSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000294070879 375660582 /nfs/dbraw/zinc/66/05/82/375660582.db2.gz VWCUHGYPSLCLTQ-PHIMTYICSA-N 1 1 277.324 1.759 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354601897 375730592 /nfs/dbraw/zinc/73/05/92/375730592.db2.gz WHOLDMWNQRPCDE-QWRGUYRKSA-N 1 1 279.344 1.694 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347400791 376091540 /nfs/dbraw/zinc/09/15/40/376091540.db2.gz BSKQVQOWHCLMNL-UHFFFAOYSA-N 1 1 289.339 1.712 20 5 CDBDMO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172591403 377630966 /nfs/dbraw/zinc/63/09/66/377630966.db2.gz OURWKKFYAUSMDT-SECBINFHSA-N 1 1 295.364 1.631 20 5 CDBDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172591403 377630974 /nfs/dbraw/zinc/63/09/74/377630974.db2.gz OURWKKFYAUSMDT-SECBINFHSA-N 1 1 295.364 1.631 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587795 378554031 /nfs/dbraw/zinc/55/40/31/378554031.db2.gz NHEVOUCHCHHYOL-YPMHNXCESA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)O1 ZINC000245587795 378554034 /nfs/dbraw/zinc/55/40/34/378554034.db2.gz NHEVOUCHCHHYOL-YPMHNXCESA-N 1 1 295.339 1.256 20 5 CDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872486 379596808 /nfs/dbraw/zinc/59/68/08/379596808.db2.gz MBDKXEFOGFJODJ-CHWSQXEVSA-N 1 1 296.371 1.927 20 5 CDBDMO Cc1c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212367 379660198 /nfs/dbraw/zinc/66/01/98/379660198.db2.gz RESYSBZMWJZAFN-LBPRGKRZSA-N 1 1 291.351 1.991 20 5 CDBDMO Cc1ccnc(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450590947 251354641 /nfs/dbraw/zinc/35/46/41/251354641.db2.gz FIOWYBGGRBQUEY-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO C[N@@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491202312 253067534 /nfs/dbraw/zinc/06/75/34/253067534.db2.gz WWXSLXPLCDWUQA-TWGQIWQCSA-N 1 1 289.335 1.818 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCCO)C2CC2)cc1 ZINC000172354843 285111274 /nfs/dbraw/zinc/11/12/74/285111274.db2.gz JRBGMYJHIAGHFZ-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286101714 390191639 /nfs/dbraw/zinc/19/16/39/390191639.db2.gz CYOQEPBRZNPSJE-UHFFFAOYSA-N 1 1 262.313 1.851 20 5 CDBDMO CC(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048571978 390449161 /nfs/dbraw/zinc/44/91/61/390449161.db2.gz MDCZLJQDHPRYOF-UHFFFAOYSA-N 1 1 279.340 1.581 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000458177294 391858195 /nfs/dbraw/zinc/85/81/95/391858195.db2.gz VJUMMZMXUSIZRM-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000267105207 392077617 /nfs/dbraw/zinc/07/76/17/392077617.db2.gz VMWVMOGEVFYBIH-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715983 392721980 /nfs/dbraw/zinc/72/19/80/392721980.db2.gz IYTDUXOKXLKQFS-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000488715983 392721986 /nfs/dbraw/zinc/72/19/86/392721986.db2.gz IYTDUXOKXLKQFS-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000425052110 392985642 /nfs/dbraw/zinc/98/56/42/392985642.db2.gz VBCRFGXXVRDWBH-VHSXEESVSA-N 1 1 295.364 1.823 20 5 CDBDMO CC[N@@H+](CCOCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000281990633 393165201 /nfs/dbraw/zinc/16/52/01/393165201.db2.gz IGMIJTMLXRRNSL-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449694163 393139856 /nfs/dbraw/zinc/13/98/56/393139856.db2.gz GFBFOECYRVPTLG-LBPRGKRZSA-N 1 1 286.353 1.487 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449694163 393139862 /nfs/dbraw/zinc/13/98/62/393139862.db2.gz GFBFOECYRVPTLG-LBPRGKRZSA-N 1 1 286.353 1.487 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C ZINC000487953354 393354772 /nfs/dbraw/zinc/35/47/72/393354772.db2.gz KGURUPFPXYDFCJ-JSGCOSHPSA-N 1 1 296.371 1.928 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000228103416 140190360 /nfs/dbraw/zinc/19/03/60/140190360.db2.gz HAMHQYIUDNXMHV-OUCADQQQSA-N 1 1 292.335 1.806 20 5 CDBDMO C[C@]1(C[NH3+])CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261600008 140361382 /nfs/dbraw/zinc/36/13/82/140361382.db2.gz PRVCEKHIADDTFK-CQSZACIVSA-N 1 1 263.341 1.808 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CCn1ccc([N+](=O)[O-])n1 ZINC000176269616 148032577 /nfs/dbraw/zinc/03/25/77/148032577.db2.gz WHJFJXCXGVDIFX-ZDUSSCGKSA-N 1 1 295.387 1.598 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149987 148286731 /nfs/dbraw/zinc/28/67/31/148286731.db2.gz ONAUQTIPOPPMHY-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000183149987 148286735 /nfs/dbraw/zinc/28/67/35/148286735.db2.gz ONAUQTIPOPPMHY-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343438823 152177459 /nfs/dbraw/zinc/17/74/59/152177459.db2.gz LUJNEIAQJSNQOJ-GWCFXTLKSA-N 1 1 277.324 1.807 20 5 CDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347072962 153401765 /nfs/dbraw/zinc/40/17/65/153401765.db2.gz ZSIABCOYLOOCMP-JTQLQIEISA-N 1 1 280.328 1.385 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000375331431 160369514 /nfs/dbraw/zinc/36/95/14/160369514.db2.gz HBWXNTWCIRPETM-ZDUSSCGKSA-N 1 1 287.323 1.942 20 5 CDBDMO CC[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000355512312 157092558 /nfs/dbraw/zinc/09/25/58/157092558.db2.gz SVEIYLLANJKRCF-UHFFFAOYSA-N 1 1 281.312 1.156 20 5 CDBDMO CC[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000355512312 157092560 /nfs/dbraw/zinc/09/25/60/157092560.db2.gz SVEIYLLANJKRCF-UHFFFAOYSA-N 1 1 281.312 1.156 20 5 CDBDMO CC(C)[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356092174 157350593 /nfs/dbraw/zinc/35/05/93/157350593.db2.gz NKCMDMSNWCEEIM-UHFFFAOYSA-N 1 1 278.312 1.674 20 5 CDBDMO COc1cc(C[N@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362098238 159071073 /nfs/dbraw/zinc/07/10/73/159071073.db2.gz QDBNHDBXBCISFK-MWLCHTKSSA-N 1 1 298.314 1.803 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000362098238 159071075 /nfs/dbraw/zinc/07/10/75/159071075.db2.gz QDBNHDBXBCISFK-MWLCHTKSSA-N 1 1 298.314 1.803 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362446624 159150498 /nfs/dbraw/zinc/15/04/98/159150498.db2.gz IVDNAZICKNRTNR-MNOVXSKESA-N 1 1 280.328 1.329 20 5 CDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000362582334 159186382 /nfs/dbraw/zinc/18/63/82/159186382.db2.gz XNIOUBKCVHYMCE-SNVBAGLBSA-N 1 1 297.359 1.026 20 5 CDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000362582334 159186385 /nfs/dbraw/zinc/18/63/85/159186385.db2.gz XNIOUBKCVHYMCE-SNVBAGLBSA-N 1 1 297.359 1.026 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000371844827 160057063 /nfs/dbraw/zinc/05/70/63/160057063.db2.gz VOAFFRCRTPZDTR-LBPRGKRZSA-N 1 1 250.302 1.666 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000371885746 160059653 /nfs/dbraw/zinc/05/96/53/160059653.db2.gz KEPLOFRWURUJED-UHFFFAOYSA-N 1 1 268.317 1.292 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285278742 196239595 /nfs/dbraw/zinc/23/95/95/196239595.db2.gz KGXHOEDAMSWIGE-ZDUSSCGKSA-N 1 1 299.277 1.570 20 5 CDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285278742 196239597 /nfs/dbraw/zinc/23/95/97/196239597.db2.gz KGXHOEDAMSWIGE-ZDUSSCGKSA-N 1 1 299.277 1.570 20 5 CDBDMO CN1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285395731 196271891 /nfs/dbraw/zinc/27/18/91/196271891.db2.gz SUXIGRHLRMSTTR-ZDUSSCGKSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285402546 196273848 /nfs/dbraw/zinc/27/38/48/196273848.db2.gz CQDPFPWJJHFHIT-ZWKOPEQDSA-N 1 1 266.297 1.347 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537771 175200040 /nfs/dbraw/zinc/20/00/40/175200040.db2.gz FJTIHMLWALFGKJ-JTQLQIEISA-N 1 1 292.339 1.447 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000071907397 176296203 /nfs/dbraw/zinc/29/62/03/176296203.db2.gz VNRMBDGVYFMKTO-UHFFFAOYSA-N 1 1 293.367 1.401 20 5 CDBDMO COCC[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110560259 274031277 /nfs/dbraw/zinc/03/12/77/274031277.db2.gz DXHRWFLXEIVHNO-NSHDSACASA-N 1 1 297.330 1.891 20 5 CDBDMO COCC[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110560259 274031278 /nfs/dbraw/zinc/03/12/78/274031278.db2.gz DXHRWFLXEIVHNO-NSHDSACASA-N 1 1 297.330 1.891 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000268866016 277070635 /nfs/dbraw/zinc/07/06/35/277070635.db2.gz SQIFWFXVQCGKIJ-VXGBXAGGSA-N 1 1 276.340 1.910 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000450776284 277149873 /nfs/dbraw/zinc/14/98/73/277149873.db2.gz HFRUNNFOGFLBAU-SKDRFNHKSA-N 1 1 265.288 1.874 20 5 CDBDMO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795116 279000118 /nfs/dbraw/zinc/00/01/18/279000118.db2.gz ZAUYEQCUJISKJM-NXEZZACHSA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345308467 279124441 /nfs/dbraw/zinc/12/44/41/279124441.db2.gz XMDKPQXOXFKPSQ-MWLCHTKSSA-N 1 1 292.339 1.390 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000275027460 279575989 /nfs/dbraw/zinc/57/59/89/279575989.db2.gz NISWYEPMFHTEKU-JTQLQIEISA-N 1 1 283.303 1.237 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411384 280205964 /nfs/dbraw/zinc/20/59/64/280205964.db2.gz WPZCBYKHWNVUAN-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO CCC(CC)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000524758517 281113635 /nfs/dbraw/zinc/11/36/35/281113635.db2.gz BLALATAABUUERM-AWEZNQCLSA-N 1 1 296.371 1.805 20 5 CDBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000553300291 290110118 /nfs/dbraw/zinc/11/01/18/290110118.db2.gz BLKOWDJFPKQOGS-LBPRGKRZSA-N 1 1 291.351 1.893 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000557920203 290373728 /nfs/dbraw/zinc/37/37/28/290373728.db2.gz RWZVMTLUURTFJJ-VIFPVBQESA-N 1 1 267.285 1.354 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000557920203 290373731 /nfs/dbraw/zinc/37/37/31/290373731.db2.gz RWZVMTLUURTFJJ-VIFPVBQESA-N 1 1 267.285 1.354 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938373 293220421 /nfs/dbraw/zinc/22/04/21/293220421.db2.gz KNHQCYOMSVUSFK-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CCOC(=O)c1cc(-c2nc(C[NH3+])no2)cc([N+](=O)[O-])c1 ZINC000575058629 295094098 /nfs/dbraw/zinc/09/40/98/295094098.db2.gz LJJBDGILBZHXNR-UHFFFAOYSA-N 1 1 292.251 1.280 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667404 300220176 /nfs/dbraw/zinc/22/01/76/300220176.db2.gz OWCDHKGVBHKHGW-VHSXEESVSA-N 1 1 267.333 1.105 20 5 CDBDMO CC(=O)NCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000576108591 317076723 /nfs/dbraw/zinc/07/67/23/317076723.db2.gz HVLATJPEYMQYHE-UHFFFAOYSA-N 1 1 265.313 1.471 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCOCC1 ZINC000155703551 522999248 /nfs/dbraw/zinc/99/92/48/522999248.db2.gz 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ZINC000746002356 576750340 /nfs/dbraw/zinc/75/03/40/576750340.db2.gz KMCIUWLQTFBDNE-NSHDSACASA-N 1 1 292.339 1.169 20 5 CDBDMO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000746002356 576750343 /nfs/dbraw/zinc/75/03/43/576750343.db2.gz KMCIUWLQTFBDNE-NSHDSACASA-N 1 1 292.339 1.169 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000931706526 617680203 /nfs/dbraw/zinc/68/02/03/617680203.db2.gz GAOMMKKLXRYJHC-CYBMUJFWSA-N 1 1 260.297 1.491 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000931609328 618076107 /nfs/dbraw/zinc/07/61/07/618076107.db2.gz CSSQBQVBSDARAX-LBPRGKRZSA-N 1 1 254.261 1.556 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000931609328 618076114 /nfs/dbraw/zinc/07/61/14/618076114.db2.gz CSSQBQVBSDARAX-LBPRGKRZSA-N 1 1 254.261 1.556 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000893874801 618122706 /nfs/dbraw/zinc/12/27/06/618122706.db2.gz ZYVOXKOWCSVYRM-NSHDSACASA-N 1 1 295.314 1.866 20 5 CDBDMO CC[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822673552 618554678 /nfs/dbraw/zinc/55/46/78/618554678.db2.gz TWQLTRFNVVUCJE-LLVKDONJSA-N 1 1 271.361 1.280 20 5 CDBDMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928244625 618598802 /nfs/dbraw/zinc/59/88/02/618598802.db2.gz AHOCRQPQJRQJLL-ZYHUDNBSSA-N 1 1 277.324 1.724 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000895246320 619492336 /nfs/dbraw/zinc/49/23/36/619492336.db2.gz MYMWFGPOLLPAAN-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902991888 625736220 /nfs/dbraw/zinc/73/62/20/625736220.db2.gz DKKMGNGUKBHSHS-SNVBAGLBSA-N 1 1 256.281 1.534 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](F)C1 ZINC000902991888 625736245 /nfs/dbraw/zinc/73/62/45/625736245.db2.gz DKKMGNGUKBHSHS-SNVBAGLBSA-N 1 1 256.281 1.534 20 5 CDBDMO C[N@H+](Cc1ccccc1)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905272724 626728060 /nfs/dbraw/zinc/72/80/60/626728060.db2.gz JXAPXABPPCFWQJ-UHFFFAOYSA-N 1 1 277.368 1.907 20 5 CDBDMO C[N@@H+](Cc1ccccc1)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905272724 626728067 /nfs/dbraw/zinc/72/80/67/626728067.db2.gz JXAPXABPPCFWQJ-UHFFFAOYSA-N 1 1 277.368 1.907 20 5 CDBDMO O=c1[nH]c2c(cc1C[NH2+]CC[N+](=O)[O-])CCCC2 ZINC000905409903 626802175 /nfs/dbraw/zinc/80/21/75/626802175.db2.gz XZBJAFOYPRBYRK-UHFFFAOYSA-N 1 1 251.286 1.032 20 5 CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000913538961 630541062 /nfs/dbraw/zinc/54/10/62/630541062.db2.gz XRGINTHAJQSSCL-PHIMTYICSA-N 1 1 290.323 1.096 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000913538961 630541064 /nfs/dbraw/zinc/54/10/64/630541064.db2.gz XRGINTHAJQSSCL-PHIMTYICSA-N 1 1 290.323 1.096 20 5 CDBDMO C[N@@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000920337717 632759186 /nfs/dbraw/zinc/75/91/86/632759186.db2.gz KLFYZYZKMUAMBO-UHFFFAOYSA-N 1 1 275.312 1.749 20 5 CDBDMO Cc1c(N[C@H]2CC[N@H+](C)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167275704 1158555406 /nfs/dbraw/zinc/55/54/06/1158555406.db2.gz UVEKVXNKXMJGOY-VIFPVBQESA-N 1 1 280.284 1.927 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165039321 721904149 /nfs/dbraw/zinc/90/41/49/721904149.db2.gz ROTLAMRMXHYWEN-LBPRGKRZSA-N 1 1 292.339 1.291 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239516 743282823 /nfs/dbraw/zinc/28/28/23/743282823.db2.gz YVODIDODXFRFPG-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886239516 743282851 /nfs/dbraw/zinc/28/28/51/743282851.db2.gz YVODIDODXFRFPG-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO O=[N+]([O-])c1cnn(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000789531847 743473124 /nfs/dbraw/zinc/47/31/24/743473124.db2.gz WIJQSYZOVNCOLT-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932647756 743499140 /nfs/dbraw/zinc/49/91/40/743499140.db2.gz REDVOEVSOQIGMB-GFCCVEGCSA-N 1 1 278.308 1.980 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313724 743577028 /nfs/dbraw/zinc/57/70/28/743577028.db2.gz OFPWFLNMXHILJE-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801897914 744979347 /nfs/dbraw/zinc/97/93/47/744979347.db2.gz KSNBIZCSOBDTIU-UHFFFAOYSA-N 1 1 298.318 1.386 20 5 CDBDMO C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922644850 745012951 /nfs/dbraw/zinc/01/29/51/745012951.db2.gz DBUMYILOHZTTFF-GWCFXTLKSA-N 1 1 292.339 1.659 20 5 CDBDMO C[C@@H](O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092359 745158114 /nfs/dbraw/zinc/15/81/14/745158114.db2.gz DPIBLAOQGUVLHU-YGRLFVJLSA-N 1 1 280.324 1.473 20 5 CDBDMO COC(=O)[C@H](C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930019412 745227570 /nfs/dbraw/zinc/22/75/70/745227570.db2.gz VNDCSUYZZWKNIN-PWSUYJOCSA-N 1 1 266.297 1.403 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816536 745251384 /nfs/dbraw/zinc/25/13/84/745251384.db2.gz VKDSAJRQFOYIMJ-AAEUAGOBSA-N 1 1 277.324 1.991 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1COCCN1 ZINC000863483912 745276587 /nfs/dbraw/zinc/27/65/87/745276587.db2.gz RJTGBOSHCBDNQP-NSHDSACASA-N 1 1 285.731 1.326 20 5 CDBDMO C[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804429178 745610387 /nfs/dbraw/zinc/61/03/87/745610387.db2.gz GBPURIFMPYPICG-VIFPVBQESA-N 1 1 280.284 1.867 20 5 CDBDMO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699775 745784054 /nfs/dbraw/zinc/78/40/54/745784054.db2.gz FTNBYGTVVBYBNU-CHWSQXEVSA-N 1 1 295.383 1.375 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]1C ZINC000851976111 745839556 /nfs/dbraw/zinc/83/95/56/745839556.db2.gz WWSVIMLLXQAFRM-RKDXNWHRSA-N 1 1 283.284 1.275 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H]1C ZINC000851976111 745839557 /nfs/dbraw/zinc/83/95/57/745839557.db2.gz WWSVIMLLXQAFRM-RKDXNWHRSA-N 1 1 283.284 1.275 20 5 CDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526172 745880643 /nfs/dbraw/zinc/88/06/43/745880643.db2.gz CIHOUCZLTRKYNC-UHFFFAOYSA-N 1 1 298.318 1.437 20 5 CDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526172 745880644 /nfs/dbraw/zinc/88/06/44/745880644.db2.gz CIHOUCZLTRKYNC-UHFFFAOYSA-N 1 1 298.318 1.437 20 5 CDBDMO C[C@H](C[N@H+](C)CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000931335739 746391077 /nfs/dbraw/zinc/39/10/77/746391077.db2.gz YRDQQLMLUUALBG-SECBINFHSA-N 1 1 261.322 1.108 20 5 CDBDMO C[C@H](C[N@@H+](C)CC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000931335739 746391080 /nfs/dbraw/zinc/39/10/80/746391080.db2.gz YRDQQLMLUUALBG-SECBINFHSA-N 1 1 261.322 1.108 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581126 746627990 /nfs/dbraw/zinc/62/79/90/746627990.db2.gz DYQMFUYMZAKVGN-GXFFZTMASA-N 1 1 250.298 1.970 20 5 CDBDMO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000930147303 746653376 /nfs/dbraw/zinc/65/33/76/746653376.db2.gz BWPGIHLTNWYEDD-UONOGXRCSA-N 1 1 277.368 1.858 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccccn3)C2)n1 ZINC000799191133 746749407 /nfs/dbraw/zinc/74/94/07/746749407.db2.gz XFAYXIXMDJWCAE-GFCCVEGCSA-N 1 1 287.323 1.676 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823316196 746817486 /nfs/dbraw/zinc/81/74/86/746817486.db2.gz YJVOHZDFHPSERS-UHFFFAOYSA-N 1 1 259.350 1.278 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000785798954 746882488 /nfs/dbraw/zinc/88/24/88/746882488.db2.gz ZPPKDRIHPJBBFK-UWVGGRQHSA-N 1 1 283.353 1.931 20 5 CDBDMO CCN(CC)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867949209 746935524 /nfs/dbraw/zinc/93/55/24/746935524.db2.gz QWTFUXSPRNDLTC-CYBMUJFWSA-N 1 1 265.313 1.637 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000879963173 747095350 /nfs/dbraw/zinc/09/53/50/747095350.db2.gz YIEXQPBHOPKDAT-LLVKDONJSA-N 1 1 282.344 1.274 20 5 CDBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928567338 747284239 /nfs/dbraw/zinc/28/42/39/747284239.db2.gz GUCPXVFLOBYOAK-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928567338 747284254 /nfs/dbraw/zinc/28/42/54/747284254.db2.gz GUCPXVFLOBYOAK-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@H](CCO)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000930176369 747709702 /nfs/dbraw/zinc/70/97/02/747709702.db2.gz DYTRYVUNZXQRKB-GFCCVEGCSA-N 1 1 252.314 1.536 20 5 CDBDMO CCN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948090 748320423 /nfs/dbraw/zinc/32/04/23/748320423.db2.gz XXCGJFQDIYUYSX-GFCCVEGCSA-N 1 1 251.286 1.247 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000712311733 748324790 /nfs/dbraw/zinc/32/47/90/748324790.db2.gz TXUANMAQNBZPDJ-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000712311733 748324801 /nfs/dbraw/zinc/32/48/01/748324801.db2.gz TXUANMAQNBZPDJ-SECBINFHSA-N 1 1 283.715 1.682 20 5 CDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592162 748521547 /nfs/dbraw/zinc/52/15/47/748521547.db2.gz ZOURXEAJIIXAJJ-LNSITVRQSA-N 1 1 294.351 1.721 20 5 CDBDMO C[N@@H+](CCCF)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000887141285 748913473 /nfs/dbraw/zinc/91/34/73/748913473.db2.gz MYADTFQIIWZWAG-LLVKDONJSA-N 1 1 286.303 1.626 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001173223575 912311404 /nfs/dbraw/zinc/31/14/04/912311404.db2.gz AZHHJAAXSSAXJO-YPMHNXCESA-N 1 1 291.351 1.723 20 5 CDBDMO C[N@H+]1CCC[C@H](OCc2ccc([N+](=O)[O-])nc2)CC1 ZINC001224108894 909165546 /nfs/dbraw/zinc/16/55/46/909165546.db2.gz MGMYVSLCSBXOEC-LBPRGKRZSA-N 1 1 265.313 1.991 20 5 CDBDMO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001161177879 936411679 /nfs/dbraw/zinc/41/16/79/936411679.db2.gz VHXRTFHRWGSLSU-VIFPVBQESA-N 1 1 277.328 1.611 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@H](CO)C2)C1 ZINC001169005869 927609111 /nfs/dbraw/zinc/60/91/11/927609111.db2.gz DALRJLIGSBKSHK-OUAUKWLOSA-N 1 1 278.299 1.381 20 5 CDBDMO C[C@]1(O)CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169006833 927610763 /nfs/dbraw/zinc/61/07/63/927610763.db2.gz JNOKVXAQOPFIHC-XQQFMLRXSA-N 1 1 256.346 1.669 20 5 CDBDMO C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169013423 927620752 /nfs/dbraw/zinc/62/07/52/927620752.db2.gz UYBICCBBGNKFFC-MROQNXINSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038919 927650288 /nfs/dbraw/zinc/65/02/88/927650288.db2.gz LJTQYMRQHAWDJZ-NWDGAFQWSA-N 1 1 270.329 1.271 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC001170897998 930694504 /nfs/dbraw/zinc/69/45/04/930694504.db2.gz AOZHWGMBQLOGLR-QMMMGPOBSA-N 1 1 259.697 1.079 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170901105 930704527 /nfs/dbraw/zinc/70/45/27/930704527.db2.gz WKUTVHFLJRZZFI-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1 ZINC001246129015 931084988 /nfs/dbraw/zinc/08/49/88/931084988.db2.gz ORHGKXCTLVEUMX-AAEUAGOBSA-N 1 1 263.341 1.867 20 5 CDBDMO Cc1ccnc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259691 938470473 /nfs/dbraw/zinc/47/04/73/938470473.db2.gz FJPFYHBNHUGPHO-VXGBXAGGSA-N 1 1 276.340 1.829 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001159785603 938752357 /nfs/dbraw/zinc/75/23/57/938752357.db2.gz QRVIIJYKVZZVMJ-GFCCVEGCSA-N 1 1 275.312 1.579 20 5 CDBDMO CC(C)Oc1nc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159787688 938753655 /nfs/dbraw/zinc/75/36/55/938753655.db2.gz BFBXTOLSKBLGJM-JTQLQIEISA-N 1 1 283.332 1.213 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001163933637 939356969 /nfs/dbraw/zinc/35/69/69/939356969.db2.gz VDOWWVURVZIADL-UHFFFAOYSA-N 1 1 286.295 1.860 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cn1)C2 ZINC001225628068 941890555 /nfs/dbraw/zinc/89/05/55/941890555.db2.gz MKZXQZZTHHZSFC-PEGIJTEDSA-N 1 1 263.297 1.994 20 5 CDBDMO Cc1ccnc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001226119176 941953408 /nfs/dbraw/zinc/95/34/08/941953408.db2.gz OSHGAROUGMVQPC-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO Cc1ccnc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001226119395 941953414 /nfs/dbraw/zinc/95/34/14/941953414.db2.gz OSHGAROUGMVQPC-SNVBAGLBSA-N 1 1 274.280 1.889 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226708811 942053246 /nfs/dbraw/zinc/05/32/46/942053246.db2.gz CVLMCYACTFNGCC-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001228769703 942373277 /nfs/dbraw/zinc/37/32/77/942373277.db2.gz YATDQBDCAFPNFW-LLVKDONJSA-N 1 1 280.280 1.464 20 5 CDBDMO CC(C)(C)[NH+]1CC(Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856253 943673329 /nfs/dbraw/zinc/67/33/29/943673329.db2.gz AAJNGZBWIITKIL-UHFFFAOYSA-N 1 1 251.286 1.851 20 5 CDBDMO Cc1ccnc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254568317 947531508 /nfs/dbraw/zinc/53/15/08/947531508.db2.gz SNUMYYUOJCSEKL-CYBMUJFWSA-N 1 1 284.319 1.950 20 5 CDBDMO CC(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595034 947546624 /nfs/dbraw/zinc/54/66/24/947546624.db2.gz VBGIPKYRFCREMT-OAHLLOKOSA-N 1 1 289.335 1.226 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605559 947553152 /nfs/dbraw/zinc/55/31/52/947553152.db2.gz BOTRWGFCVGKJCD-UKRRQHHQSA-N 1 1 289.335 1.272 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC001328393700 955282721 /nfs/dbraw/zinc/28/27/21/955282721.db2.gz IIEJFTKQEPELFV-LLVKDONJSA-N 1 1 296.327 1.191 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC001328393700 955282726 /nfs/dbraw/zinc/28/27/26/955282726.db2.gz IIEJFTKQEPELFV-LLVKDONJSA-N 1 1 296.327 1.191 20 5 CDBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001307235401 956381407 /nfs/dbraw/zinc/38/14/07/956381407.db2.gz NAEKMCCRZDKDGW-LLVKDONJSA-N 1 1 250.302 1.520 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001331555394 957135192 /nfs/dbraw/zinc/13/51/92/957135192.db2.gz CDESMTVQTZEZEL-UHFFFAOYSA-N 1 1 289.335 1.813 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001331703359 957217200 /nfs/dbraw/zinc/21/72/00/957217200.db2.gz RIYLQASPPRJKHM-ZDUSSCGKSA-N 1 1 263.297 1.337 20 5 CDBDMO CC(C)(CCc1noc([C@H]([NH3+])CC(F)F)n1)[N+](=O)[O-] ZINC001332358698 957529761 /nfs/dbraw/zinc/52/97/61/957529761.db2.gz KGUXEANIWPQFRT-ZCFIWIBFSA-N 1 1 278.259 1.713 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC001335487187 959839262 /nfs/dbraw/zinc/83/92/62/959839262.db2.gz VLFDZVWUPQCRRJ-DZGCQCFKSA-N 1 1 277.368 1.763 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NCC[N+](=O)[O-] ZINC001335487187 959839270 /nfs/dbraw/zinc/83/92/70/959839270.db2.gz VLFDZVWUPQCRRJ-DZGCQCFKSA-N 1 1 277.368 1.763 20 5 CDBDMO O=C(NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC001323183550 960513764 /nfs/dbraw/zinc/51/37/64/960513764.db2.gz VDUHPPIIYYGJRN-UHFFFAOYSA-N 1 1 261.281 1.196 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745043 960536147 /nfs/dbraw/zinc/53/61/47/960536147.db2.gz LNPHJURYDMTCDQ-NSHDSACASA-N 1 1 271.361 1.422 20 5 CDBDMO C[N@@H+](C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001323866041 961011609 /nfs/dbraw/zinc/01/16/09/961011609.db2.gz OCUXBVSGISVBTB-HNNXBMFYSA-N 1 1 291.351 1.366 20 5 CDBDMO COc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001339493097 962384314 /nfs/dbraw/zinc/38/43/14/962384314.db2.gz LOMBDBKKBAHWLG-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO Cc1cnccc1OC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001341391593 963396234 /nfs/dbraw/zinc/39/62/34/963396234.db2.gz CVRRMXSDBTVJLN-UHFFFAOYSA-N 1 1 265.313 1.510 20 5 CDBDMO C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001342520332 963757236 /nfs/dbraw/zinc/75/72/36/963757236.db2.gz ZERFSINOVCUQGO-LDYMZIIASA-N 1 1 281.337 1.435 20 5 CDBDMO CC[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001343317482 963949746 /nfs/dbraw/zinc/94/97/46/963949746.db2.gz BFFWVNQDJMMVRN-UHFFFAOYSA-N 1 1 250.302 1.440 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001347855756 965729902 /nfs/dbraw/zinc/72/99/02/965729902.db2.gz LQPSUJKTWQEOPS-SECBINFHSA-N 1 1 265.317 1.468 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599201654 343980154 /nfs/dbraw/zinc/98/01/54/343980154.db2.gz HYOSRKXILCPKJV-JTQLQIEISA-N 1 1 269.276 1.212 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000601399657 342559961 /nfs/dbraw/zinc/55/99/61/342559961.db2.gz RLWLVCOBAHRTAX-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000601399657 342559962 /nfs/dbraw/zinc/55/99/62/342559962.db2.gz RLWLVCOBAHRTAX-ZJUUUORDSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590800108 342597726 /nfs/dbraw/zinc/59/77/26/342597726.db2.gz VUJFFZCQXONAJA-MFKMUULPSA-N 1 1 290.323 1.763 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593067151 342762003 /nfs/dbraw/zinc/76/20/03/342762003.db2.gz UXPBORSUDPVAPN-ZIAGYGMSSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C[N@H+]1C ZINC000593187562 342776230 /nfs/dbraw/zinc/77/62/30/342776230.db2.gz LYIVVDUVQDNPKB-AXFHLTTASA-N 1 1 294.355 1.486 20 5 CDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382838 342264309 /nfs/dbraw/zinc/26/43/09/342264309.db2.gz FJVKZBASSPECDO-CYBMUJFWSA-N 1 1 289.335 1.809 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)C1CC1 ZINC000404338372 349771687 /nfs/dbraw/zinc/77/16/87/349771687.db2.gz QWENHBNGXZICEI-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343822 343043504 /nfs/dbraw/zinc/04/35/04/343043504.db2.gz FBOPODULXQFQDK-SECBINFHSA-N 1 1 283.303 1.548 20 5 CDBDMO Cc1noc(C[N@@H+](C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000595439265 343061294 /nfs/dbraw/zinc/06/12/94/343061294.db2.gz YUIJOAKMBYWDNB-UHFFFAOYSA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+](C)CC2(O)CCC2)c1[N+](=O)[O-] ZINC000595439265 343061296 /nfs/dbraw/zinc/06/12/96/343061296.db2.gz YUIJOAKMBYWDNB-UHFFFAOYSA-N 1 1 255.274 1.238 20 5 CDBDMO CCOCC(C)(C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595504914 343079449 /nfs/dbraw/zinc/07/94/49/343079449.db2.gz JXWZFVGSRAIIIB-UHFFFAOYSA-N 1 1 257.290 1.796 20 5 CDBDMO CCN1CC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595485956 343074913 /nfs/dbraw/zinc/07/49/13/343074913.db2.gz ZVYNIQJSQDUKKS-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1onc(C)c1[N+](=O)[O-] ZINC000595489435 343075701 /nfs/dbraw/zinc/07/57/01/343075701.db2.gz ASEAMAIJUQSUJH-HAOVPJPFSA-N 1 1 293.323 1.746 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176930 343261317 /nfs/dbraw/zinc/26/13/17/343261317.db2.gz LBFUPMXVDNGUFR-VHSXEESVSA-N 1 1 279.344 1.491 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596432266 343319806 /nfs/dbraw/zinc/31/98/06/343319806.db2.gz RRLWOKIKPGHCSS-ZJUUUORDSA-N 1 1 296.327 1.217 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596432266 343319807 /nfs/dbraw/zinc/31/98/07/343319807.db2.gz RRLWOKIKPGHCSS-ZJUUUORDSA-N 1 1 296.327 1.217 20 5 CDBDMO COc1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000588975857 342446614 /nfs/dbraw/zinc/44/66/14/342446614.db2.gz KTZZTSWQBJXKIL-LLVKDONJSA-N 1 1 293.323 1.301 20 5 CDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 ZINC000597716276 343609221 /nfs/dbraw/zinc/60/92/21/343609221.db2.gz QKIVEMMPEMFRSZ-CQSZACIVSA-N 1 1 292.339 1.481 20 5 CDBDMO CC1(C)CC[C@@H](CO)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647373 343857118 /nfs/dbraw/zinc/85/71/18/343857118.db2.gz LELXPVXULMVUKS-NSHDSACASA-N 1 1 282.344 1.274 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC12CCC2 ZINC000612087018 347010426 /nfs/dbraw/zinc/01/04/26/347010426.db2.gz UIBQEWKCAPCPQI-LBPRGKRZSA-N 1 1 292.335 1.963 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571395 344090270 /nfs/dbraw/zinc/09/02/70/344090270.db2.gz FWPBSYNEMOLTBC-UHFFFAOYSA-N 1 1 280.324 1.942 20 5 CDBDMO C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979573 344306110 /nfs/dbraw/zinc/30/61/10/344306110.db2.gz JNCWMTWKABKDRL-JTQLQIEISA-N 1 1 285.731 1.361 20 5 CDBDMO C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979573 344306111 /nfs/dbraw/zinc/30/61/11/344306111.db2.gz JNCWMTWKABKDRL-JTQLQIEISA-N 1 1 285.731 1.361 20 5 CDBDMO Cn1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623523 344500862 /nfs/dbraw/zinc/50/08/62/344500862.db2.gz HLLGHNJMZFIVMF-ONGXEEELSA-N 1 1 250.302 1.703 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@@H]1C ZINC000602780734 344596539 /nfs/dbraw/zinc/59/65/39/344596539.db2.gz QYKKCCOYZDGICL-VIFPVBQESA-N 1 1 270.358 1.537 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000602787123 344599548 /nfs/dbraw/zinc/59/95/48/344599548.db2.gz IJXHJZIGVPLQSY-CYBMUJFWSA-N 1 1 280.328 1.212 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159727876 362511780 /nfs/dbraw/zinc/51/17/80/362511780.db2.gz JVEPKLSIGGWGML-LLVKDONJSA-N 1 1 265.313 1.631 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057718591 347086830 /nfs/dbraw/zinc/08/68/30/347086830.db2.gz KTXSUBOBSOVRGE-SNVBAGLBSA-N 1 1 277.324 1.807 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@@H]3CCCOC3)C2)nc1 ZINC000610569962 346315152 /nfs/dbraw/zinc/31/51/52/346315152.db2.gz IEHFYRVOMDQWPT-WCQYABFASA-N 1 1 292.339 1.655 20 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Cc1nc(N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000572352697 360415538 /nfs/dbraw/zinc/41/55/38/360415538.db2.gz WITNJYRRUNPDFO-PWSUYJOCSA-N 1 1 291.355 1.756 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000112309325 360522173 /nfs/dbraw/zinc/52/21/73/360522173.db2.gz BZQGWFSSRAQOOX-UHFFFAOYSA-N 1 1 297.359 1.098 20 5 CDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000545398694 364073367 /nfs/dbraw/zinc/07/33/67/364073367.db2.gz ZFTVGOWAKNPZAO-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944248 366947686 /nfs/dbraw/zinc/94/76/86/366947686.db2.gz RXUNTRXKNSYZPN-SWHYSGLUSA-N 1 1 280.324 1.331 20 5 CDBDMO C[N@H+]1CC=C(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272592862 367780005 /nfs/dbraw/zinc/78/00/05/367780005.db2.gz SHAYXXASDNQNCF-UHFFFAOYSA-N 1 1 291.307 1.292 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272592862 367780012 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C[C@@]1(O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178001349 372941327 /nfs/dbraw/zinc/94/13/27/372941327.db2.gz DBHCYBULOIXZJK-GFCCVEGCSA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000121821026 373237155 /nfs/dbraw/zinc/23/71/55/373237155.db2.gz UYMUGOGTELKQCK-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121821026 373237162 /nfs/dbraw/zinc/23/71/62/373237162.db2.gz UYMUGOGTELKQCK-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121821026 373237169 /nfs/dbraw/zinc/23/71/69/373237169.db2.gz UYMUGOGTELKQCK-JTQLQIEISA-N 1 1 295.343 1.312 20 5 CDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954309 374308632 /nfs/dbraw/zinc/30/86/32/374308632.db2.gz ZKASMXQBSDMAHF-CHWSQXEVSA-N 1 1 294.351 1.924 20 5 CDBDMO Cc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000370539506 374396116 /nfs/dbraw/zinc/39/61/16/374396116.db2.gz SOCFBWIFYLHOTR-GFCCVEGCSA-N 1 1 276.340 1.973 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460994 374383474 /nfs/dbraw/zinc/38/34/74/374383474.db2.gz JDHVZQPWKXRQNZ-WDEREUQCSA-N 1 1 294.355 1.639 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423460994 374383483 /nfs/dbraw/zinc/38/34/83/374383483.db2.gz JDHVZQPWKXRQNZ-WDEREUQCSA-N 1 1 294.355 1.639 20 5 CDBDMO C[C@@](CN)([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430555540 374650728 /nfs/dbraw/zinc/65/07/28/374650728.db2.gz IVXUHQXHDBFFAC-AWEZNQCLSA-N 1 1 279.340 1.691 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000277066583 374770690 /nfs/dbraw/zinc/77/06/90/374770690.db2.gz DPIASKWAKKFFQB-OKILXGFUSA-N 1 1 280.324 1.749 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000139820578 374839381 /nfs/dbraw/zinc/83/93/81/374839381.db2.gz MGKLMRGEMXZTPO-GFCCVEGCSA-N 1 1 277.324 1.727 20 5 CDBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279721977 374952236 /nfs/dbraw/zinc/95/22/36/374952236.db2.gz IYRGUTASEFSILN-CYBMUJFWSA-N 1 1 280.324 1.676 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCCO ZINC000282478027 375087769 /nfs/dbraw/zinc/08/77/69/375087769.db2.gz MDIGZIGGCALYSC-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCCO ZINC000282478027 375087775 /nfs/dbraw/zinc/08/77/75/375087775.db2.gz MDIGZIGGCALYSC-UHFFFAOYSA-N 1 1 298.339 1.434 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000283268148 375112760 /nfs/dbraw/zinc/11/27/60/375112760.db2.gz WLAZCQBLSXRQRG-MFKMUULPSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1c(CC(=O)NC[C@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000162374118 375338131 /nfs/dbraw/zinc/33/81/31/375338131.db2.gz MGMMWOGGOIMWFM-GFCCVEGCSA-N 1 1 291.351 1.514 20 5 CDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000304751194 375496612 /nfs/dbraw/zinc/49/66/12/375496612.db2.gz XJQFDZYHHIZUEU-UHFFFAOYSA-N 1 1 295.339 1.626 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC000347317400 375527652 /nfs/dbraw/zinc/52/76/52/375527652.db2.gz DOGLRGCBUIFFBX-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC000347317400 375527657 /nfs/dbraw/zinc/52/76/57/375527657.db2.gz DOGLRGCBUIFFBX-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO CC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083420 375548498 /nfs/dbraw/zinc/54/84/98/375548498.db2.gz NDFXUNQHVWRKDR-ZYHUDNBSSA-N 1 1 280.328 1.247 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC(O)C1 ZINC000353478747 375615948 /nfs/dbraw/zinc/61/59/48/375615948.db2.gz GBNBCXIWVLGYNJ-UHEGKEBESA-N 1 1 293.323 1.377 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC(O)C1 ZINC000353478747 375615953 /nfs/dbraw/zinc/61/59/53/375615953.db2.gz GBNBCXIWVLGYNJ-UHEGKEBESA-N 1 1 293.323 1.377 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000426788076 247063294 /nfs/dbraw/zinc/06/32/94/247063294.db2.gz KBVNKJUNURYSTN-LBPRGKRZSA-N 1 1 293.367 1.982 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089484 375675192 /nfs/dbraw/zinc/67/51/92/375675192.db2.gz DOAPMAUCCAXVNF-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356335353 375835518 /nfs/dbraw/zinc/83/55/18/375835518.db2.gz IKSSRADWRPDMNP-ZDUSSCGKSA-N 1 1 293.323 1.370 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000357407152 375905121 /nfs/dbraw/zinc/90/51/21/375905121.db2.gz DYAPPCJGXUHVGK-CABZTGNLSA-N 1 1 295.314 1.946 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267054553 376683206 /nfs/dbraw/zinc/68/32/06/376683206.db2.gz RNOBWMBUGJRXTC-NSHDSACASA-N 1 1 295.314 1.692 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345308466 377905256 /nfs/dbraw/zinc/90/52/56/377905256.db2.gz XMDKPQXOXFKPSQ-KOLCDFICSA-N 1 1 292.339 1.390 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173530822 378526031 /nfs/dbraw/zinc/52/60/31/378526031.db2.gz OQGUQUFXEHSFNZ-LBPRGKRZSA-N 1 1 268.317 1.025 20 5 CDBDMO O=C(CC[N@@H+]1CC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266963101 378939438 /nfs/dbraw/zinc/93/94/38/378939438.db2.gz XLHIUQUMDQXORY-LLVKDONJSA-N 1 1 293.323 1.238 20 5 CDBDMO CCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686759 250166808 /nfs/dbraw/zinc/16/68/08/250166808.db2.gz TWOAVEUTFZUANR-UHFFFAOYSA-N 1 1 278.312 1.939 20 5 CDBDMO CCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686759 250166812 /nfs/dbraw/zinc/16/68/12/250166812.db2.gz TWOAVEUTFZUANR-UHFFFAOYSA-N 1 1 278.312 1.939 20 5 CDBDMO Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000173915109 379341687 /nfs/dbraw/zinc/34/16/87/379341687.db2.gz HXXPMRINCMBIRL-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000173915109 379341691 /nfs/dbraw/zinc/34/16/91/379341691.db2.gz HXXPMRINCMBIRL-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO CC(C)C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174862803 379596967 /nfs/dbraw/zinc/59/69/67/379596967.db2.gz QBCMGBZMDHGUGL-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO CC(C)C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174862803 379596971 /nfs/dbraw/zinc/59/69/71/379596971.db2.gz QBCMGBZMDHGUGL-GFCCVEGCSA-N 1 1 282.344 1.538 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450592899 251356201 /nfs/dbraw/zinc/35/62/01/251356201.db2.gz HXLWTJVSZXKPEZ-LLVKDONJSA-N 1 1 280.328 1.249 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491577625 253092196 /nfs/dbraw/zinc/09/21/96/253092196.db2.gz YLOYPKRJPCWRBI-NNNHXZLVSA-N 1 1 289.335 1.771 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127411 195114341 /nfs/dbraw/zinc/11/43/41/195114341.db2.gz NAFPVORHLNQTEO-HNNXBMFYSA-N 1 1 291.351 1.861 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000291164286 390993597 /nfs/dbraw/zinc/99/35/97/390993597.db2.gz QHKQCKMTFIBBAW-JTQLQIEISA-N 1 1 269.349 1.861 20 5 CDBDMO COC(=O)Cc1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000295256742 391057032 /nfs/dbraw/zinc/05/70/32/391057032.db2.gz HFANMSZGGSMJQF-UHFFFAOYSA-N 1 1 293.323 1.062 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCSCC2)c(F)c1 ZINC000413134714 391164501 /nfs/dbraw/zinc/16/45/01/391164501.db2.gz JBDVXHZOZMWRSE-UHFFFAOYSA-N 1 1 286.332 1.590 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413143193 391165585 /nfs/dbraw/zinc/16/55/85/391165585.db2.gz RRAWQMRRKLYUOJ-VIFPVBQESA-N 1 1 268.292 1.659 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000413326675 391199333 /nfs/dbraw/zinc/19/93/33/391199333.db2.gz LROVBCTWBYDQJJ-SNVBAGLBSA-N 1 1 298.318 1.388 20 5 CDBDMO Cc1cccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000437904304 391696076 /nfs/dbraw/zinc/69/60/76/391696076.db2.gz XJQNATQVGUISSA-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190850107 130153167 /nfs/dbraw/zinc/15/31/67/130153167.db2.gz QTUNZEVQNFGVEQ-MNOVXSKESA-N 1 1 293.323 1.094 20 5 CDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190850107 130153168 /nfs/dbraw/zinc/15/31/68/130153168.db2.gz QTUNZEVQNFGVEQ-MNOVXSKESA-N 1 1 293.323 1.094 20 5 CDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090552047 391912348 /nfs/dbraw/zinc/91/23/48/391912348.db2.gz AMIDBAMWTWXEAQ-UHFFFAOYSA-N 1 1 297.380 1.584 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000122819065 392221364 /nfs/dbraw/zinc/22/13/64/392221364.db2.gz JJLMCEOMDHUEBG-MNOVXSKESA-N 1 1 252.318 1.769 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(C)(C)C1 ZINC000459746053 392504096 /nfs/dbraw/zinc/50/40/96/392504096.db2.gz UHRCJGYNYBRUHI-UHFFFAOYSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774454 392725857 /nfs/dbraw/zinc/72/58/57/392725857.db2.gz YNMAHYSWSOVYKC-QJPTWQEYSA-N 1 1 293.371 1.495 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776422 392919508 /nfs/dbraw/zinc/91/95/08/392919508.db2.gz DEKLYUGFZOIGPV-LBPRGKRZSA-N 1 1 291.351 1.595 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269302136 132151913 /nfs/dbraw/zinc/15/19/13/132151913.db2.gz XZSKTHOUTIKPKK-IUCAKERBSA-N 1 1 295.343 1.080 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422036134 392951169 /nfs/dbraw/zinc/95/11/69/392951169.db2.gz MSHCJFYASVEJMO-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H]1CC[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429570789 393083241 /nfs/dbraw/zinc/08/32/41/393083241.db2.gz VRTOFUULGWNKFG-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000430199666 393091501 /nfs/dbraw/zinc/09/15/01/393091501.db2.gz DDLUOEUAJGZLOY-BPNCWPANSA-N 1 1 292.335 1.806 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(CO)CO ZINC000430214912 393093729 /nfs/dbraw/zinc/09/37/29/393093729.db2.gz ARNOEBAPJPJALF-UHFFFAOYSA-N 1 1 298.339 1.026 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(CO)CO ZINC000430214912 393093733 /nfs/dbraw/zinc/09/37/33/393093733.db2.gz ARNOEBAPJPJALF-UHFFFAOYSA-N 1 1 298.339 1.026 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430223682 393095641 /nfs/dbraw/zinc/09/56/41/393095641.db2.gz VKGDJSABGUMDCP-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000449572971 393133397 /nfs/dbraw/zinc/13/33/97/393133397.db2.gz QCAOWILBFIMIIG-CHWSQXEVSA-N 1 1 266.297 1.095 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000449572971 393133404 /nfs/dbraw/zinc/13/34/04/393133404.db2.gz QCAOWILBFIMIIG-CHWSQXEVSA-N 1 1 266.297 1.095 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281892038 393161511 /nfs/dbraw/zinc/16/15/11/393161511.db2.gz AZDCXVLYCHRYDJ-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281892038 393161518 /nfs/dbraw/zinc/16/15/18/393161518.db2.gz AZDCXVLYCHRYDJ-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196753 135104674 /nfs/dbraw/zinc/10/46/74/135104674.db2.gz AIUIVIZJILYMRI-NWDGAFQWSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCC[N@H+]1C ZINC000343451223 152182941 /nfs/dbraw/zinc/18/29/41/152182941.db2.gz FTZQHSRFCMGIGU-RKDXNWHRSA-N 1 1 253.306 1.223 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[C@@H]1O ZINC000352697335 155372152 /nfs/dbraw/zinc/37/21/52/155372152.db2.gz KYLULUTZOZMWOK-STQMWFEESA-N 1 1 290.323 1.816 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000349878277 154253770 /nfs/dbraw/zinc/25/37/70/154253770.db2.gz VQJJXICXZXLEFH-NXEZZACHSA-N 1 1 295.343 1.168 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375386360 160375501 /nfs/dbraw/zinc/37/55/01/160375501.db2.gz HDRBQZIJVHYSGJ-JQWIXIFHSA-N 1 1 280.328 1.472 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375386360 160375502 /nfs/dbraw/zinc/37/55/02/160375502.db2.gz HDRBQZIJVHYSGJ-JQWIXIFHSA-N 1 1 280.328 1.472 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000353708884 156029645 /nfs/dbraw/zinc/02/96/45/156029645.db2.gz IPOLJAKJFMGLCA-BRLPQQTGSA-N 1 1 289.335 1.771 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000353708884 156029646 /nfs/dbraw/zinc/02/96/46/156029646.db2.gz IPOLJAKJFMGLCA-BRLPQQTGSA-N 1 1 289.335 1.771 20 5 CDBDMO CC[N@H+](CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000355356662 157002109 /nfs/dbraw/zinc/00/21/09/157002109.db2.gz YUVPKSLETMDKGD-YRNVUSSQSA-N 1 1 277.324 1.805 20 5 CDBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000408363383 160756369 /nfs/dbraw/zinc/75/63/69/160756369.db2.gz WOIBSUAEQFJRIR-LBPRGKRZSA-N 1 1 294.355 1.346 20 5 CDBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930683284 745596729 /nfs/dbraw/zinc/59/67/29/745596729.db2.gz FTDIRGAJZBVAEH-GFCCVEGCSA-N 1 1 258.318 1.317 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000284830548 196139762 /nfs/dbraw/zinc/13/97/62/196139762.db2.gz OTTXTZZMPSICPI-YPMHNXCESA-N 1 1 290.323 1.193 20 5 CDBDMO CN1C(=O)N[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000284830548 196139764 /nfs/dbraw/zinc/13/97/64/196139764.db2.gz OTTXTZZMPSICPI-YPMHNXCESA-N 1 1 290.323 1.193 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078596953 177357985 /nfs/dbraw/zinc/35/79/85/177357985.db2.gz BIPRJWZVZNSOBL-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000363446168 274707325 /nfs/dbraw/zinc/70/73/25/274707325.db2.gz HEEJELHZURWQLH-CQSZACIVSA-N 1 1 291.351 1.814 20 5 CDBDMO CCOCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665284 279210706 /nfs/dbraw/zinc/21/07/06/279210706.db2.gz CNMBWPRGLOIVEO-NSHDSACASA-N 1 1 280.328 1.513 20 5 CDBDMO C[C@H]1[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000419373644 280097269 /nfs/dbraw/zinc/09/72/69/280097269.db2.gz OOBLXJJNJIYRLX-OPRDCNLKSA-N 1 1 252.318 1.805 20 5 CDBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343670 280329129 /nfs/dbraw/zinc/32/91/29/280329129.db2.gz GGBFAOMMHQROCV-ZYHUDNBSSA-N 1 1 294.311 1.438 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556715602 290287095 /nfs/dbraw/zinc/28/70/95/290287095.db2.gz YYUCYXAEPMVPNV-LLVKDONJSA-N 1 1 291.351 1.907 20 5 CDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295334 524938905 /nfs/dbraw/zinc/93/89/05/524938905.db2.gz AIVJHYFDDISTLA-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526612 576293127 /nfs/dbraw/zinc/29/31/27/576293127.db2.gz OFIDXKVALVSSFK-DTWKUNHWSA-N 1 1 291.311 1.660 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000768771393 576306837 /nfs/dbraw/zinc/30/68/37/576306837.db2.gz WONXSCWZDDXLNN-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000768771393 576306840 /nfs/dbraw/zinc/30/68/40/576306840.db2.gz WONXSCWZDDXLNN-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873430 576440078 /nfs/dbraw/zinc/44/00/78/576440078.db2.gz NKSGLOVSXBAAEU-WXRRBKDZSA-N 1 1 266.297 1.083 20 5 CDBDMO Cc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742195200 576585212 /nfs/dbraw/zinc/58/52/12/576585212.db2.gz BUFWKTQPDLKZSM-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000742195200 576585213 /nfs/dbraw/zinc/58/52/13/576585213.db2.gz BUFWKTQPDLKZSM-NSHDSACASA-N 1 1 277.324 1.679 20 5 CDBDMO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742234629 576590345 /nfs/dbraw/zinc/59/03/45/576590345.db2.gz GAYHDNYXGIOBER-JECSTDCCSA-N 1 1 289.335 1.771 20 5 CDBDMO Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000749691721 576958087 /nfs/dbraw/zinc/95/80/87/576958087.db2.gz RMHDWDRWFAUDAI-CYBMUJFWSA-N 1 1 277.280 1.714 20 5 CDBDMO Cc1cc(F)cc(C(=O)NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000758453486 577109394 /nfs/dbraw/zinc/10/93/94/577109394.db2.gz UYVSESBVYSRDCS-UHFFFAOYSA-N 1 1 295.314 1.866 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930868814 617552450 /nfs/dbraw/zinc/55/24/50/617552450.db2.gz XJRPUGXUNSPXKU-QWRGUYRKSA-N 1 1 287.360 1.641 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[N+](=O)[O-] ZINC000930868814 617552452 /nfs/dbraw/zinc/55/24/52/617552452.db2.gz XJRPUGXUNSPXKU-QWRGUYRKSA-N 1 1 287.360 1.641 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941176 618204475 /nfs/dbraw/zinc/20/44/75/618204475.db2.gz RNICULWTRHKXQU-RNCFNFMXSA-N 1 1 265.288 1.874 20 5 CDBDMO Cc1cc(N2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000141096945 619127976 /nfs/dbraw/zinc/12/79/76/619127976.db2.gz OZTPZJJCBKTMSX-UHFFFAOYSA-N 1 1 272.308 1.861 20 5 CDBDMO COc1c(O)ccc(C[NH2+]CC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000894953101 619162538 /nfs/dbraw/zinc/16/25/38/619162538.db2.gz FATSKQGSYNGLGG-UHFFFAOYSA-N 1 1 295.339 1.493 20 5 CDBDMO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246751 619493719 /nfs/dbraw/zinc/49/37/19/619493719.db2.gz DINDMFMKFNOXHR-KOLCDFICSA-N 1 1 284.385 1.703 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000895775472 619839641 /nfs/dbraw/zinc/83/96/41/619839641.db2.gz AZFUTJUYXGTJPL-SECBINFHSA-N 1 1 261.285 1.359 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000896650382 620181954 /nfs/dbraw/zinc/18/19/54/620181954.db2.gz GQMMJRIRQHWAOS-LLVKDONJSA-N 1 1 281.360 1.495 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000905076749 626618953 /nfs/dbraw/zinc/61/89/53/626618953.db2.gz SOMMOJBLDATWIP-UHFFFAOYSA-N 1 1 277.093 1.955 20 5 CDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000905213547 626694851 /nfs/dbraw/zinc/69/48/51/626694851.db2.gz CHKGIGHKRDEPIW-WCQYABFASA-N 1 1 251.330 1.544 20 5 CDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cccc(C)c1[N+](=O)[O-] ZINC001170339636 1162346539 /nfs/dbraw/zinc/34/65/39/1162346539.db2.gz NPVKGUFUKVPCSD-UHFFFAOYSA-N 1 1 276.296 1.604 20 5 CDBDMO CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001168316957 1160709401 /nfs/dbraw/zinc/70/94/01/1160709401.db2.gz BIMKQLUVWAJUFK-UHFFFAOYSA-N 1 1 290.323 1.343 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000218154609 1164169639 /nfs/dbraw/zinc/16/96/39/1164169639.db2.gz SKZVOGNJQNWLNQ-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311686157 1186690445 /nfs/dbraw/zinc/69/04/45/1186690445.db2.gz RQPSIDUPBXNZCS-SECBINFHSA-N 1 1 265.317 1.468 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164637826 719168329 /nfs/dbraw/zinc/16/83/29/719168329.db2.gz OYWLSGNWFOIWMK-SFYZADRCSA-N 1 1 299.762 1.875 20 5 CDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164637826 719168334 /nfs/dbraw/zinc/16/83/34/719168334.db2.gz OYWLSGNWFOIWMK-SFYZADRCSA-N 1 1 299.762 1.875 20 5 CDBDMO CCCC[N@H+](C)CC1CCN(CC[N+](=O)[O-])CC1 ZINC000791053677 751400023 /nfs/dbraw/zinc/40/00/23/751400023.db2.gz VTTLENQCZBFIAH-UHFFFAOYSA-N 1 1 257.378 1.707 20 5 CDBDMO CCCC[N@@H+](C)CC1CCN(CC[N+](=O)[O-])CC1 ZINC000791053677 751400047 /nfs/dbraw/zinc/40/00/47/751400047.db2.gz VTTLENQCZBFIAH-UHFFFAOYSA-N 1 1 257.378 1.707 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000930505234 751952680 /nfs/dbraw/zinc/95/26/80/751952680.db2.gz JBMZXDLRLXRKSN-CQSZACIVSA-N 1 1 282.315 1.329 20 5 CDBDMO NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000880391628 751999875 /nfs/dbraw/zinc/99/98/75/751999875.db2.gz SYZKLIIRSGFVTP-UHFFFAOYSA-N 1 1 293.323 1.061 20 5 CDBDMO NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000880391628 751999892 /nfs/dbraw/zinc/99/98/92/751999892.db2.gz SYZKLIIRSGFVTP-UHFFFAOYSA-N 1 1 293.323 1.061 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000798195261 752833852 /nfs/dbraw/zinc/83/38/52/752833852.db2.gz MBFIAAIIPUUPHX-SNVBAGLBSA-N 1 1 273.333 1.110 20 5 CDBDMO [NH3+]Cc1noc(CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000842650517 749623887 /nfs/dbraw/zinc/62/38/87/749623887.db2.gz DFMNYCXHVXCRIQ-UHFFFAOYSA-N 1 1 293.239 1.130 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249901 749850172 /nfs/dbraw/zinc/85/01/72/749850172.db2.gz VGFWCSUHIRAFMH-AWEZNQCLSA-N 1 1 293.323 1.765 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249901 749850179 /nfs/dbraw/zinc/85/01/79/749850179.db2.gz VGFWCSUHIRAFMH-AWEZNQCLSA-N 1 1 293.323 1.765 20 5 CDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923371517 749874834 /nfs/dbraw/zinc/87/48/34/749874834.db2.gz XWDQJHRXIPGGBQ-KGLIPLIRSA-N 1 1 293.367 1.606 20 5 CDBDMO O=[N+]([O-])CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459729 749961125 /nfs/dbraw/zinc/96/11/25/749961125.db2.gz JCKHYWZAYMFGEI-INIZCTEOSA-N 1 1 289.379 1.861 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597109 750189828 /nfs/dbraw/zinc/18/98/28/750189828.db2.gz HJIPJSSFBRMFFB-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597109 750189837 /nfs/dbraw/zinc/18/98/37/750189837.db2.gz HJIPJSSFBRMFFB-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597109 750189846 /nfs/dbraw/zinc/18/98/46/750189846.db2.gz HJIPJSSFBRMFFB-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809785613 750199694 /nfs/dbraw/zinc/19/96/94/750199694.db2.gz WUWMNXMTNKLCND-JTQLQIEISA-N 1 1 297.742 1.946 20 5 CDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879187697 750200176 /nfs/dbraw/zinc/20/01/76/750200176.db2.gz BBIMBNJUNRITDW-CQSZACIVSA-N 1 1 290.323 1.792 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880298958 750235104 /nfs/dbraw/zinc/23/51/04/750235104.db2.gz MNSWBGDMWHYZML-GWCFXTLKSA-N 1 1 268.288 1.920 20 5 CDBDMO COC(=O)N[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000886863442 750301992 /nfs/dbraw/zinc/30/19/92/750301992.db2.gz FTXYTINJYDMMJQ-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000886863442 750301996 /nfs/dbraw/zinc/30/19/96/750301996.db2.gz FTXYTINJYDMMJQ-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-])c1ccccc1 ZINC000929770399 750798498 /nfs/dbraw/zinc/79/84/98/750798498.db2.gz VCLCZUFNNDDCKQ-CQSZACIVSA-N 1 1 291.351 1.548 20 5 CDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-])c1ccccc1 ZINC000929770399 750798515 /nfs/dbraw/zinc/79/85/15/750798515.db2.gz VCLCZUFNNDDCKQ-CQSZACIVSA-N 1 1 291.351 1.548 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCO)CC1CC1 ZINC000885964712 750855154 /nfs/dbraw/zinc/85/51/54/750855154.db2.gz DYMNZOCNNSGGHV-UHFFFAOYSA-N 1 1 251.286 1.194 20 5 CDBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000819390917 750889328 /nfs/dbraw/zinc/88/93/28/750889328.db2.gz XDQBTPRGRYXISR-GXFFZTMASA-N 1 1 267.329 1.168 20 5 CDBDMO COCC(C)(C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886215775 751195056 /nfs/dbraw/zinc/19/50/56/751195056.db2.gz QUTQVXNKAAOSOB-UHFFFAOYSA-N 1 1 253.302 1.847 20 5 CDBDMO COCC(C)(C)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886215775 751195066 /nfs/dbraw/zinc/19/50/66/751195066.db2.gz QUTQVXNKAAOSOB-UHFFFAOYSA-N 1 1 253.302 1.847 20 5 CDBDMO C[C@]1(O)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886100276 751203192 /nfs/dbraw/zinc/20/31/92/751203192.db2.gz JUCDZMOKYPHIJF-LBPRGKRZSA-N 1 1 251.286 1.337 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886100276 751203206 /nfs/dbraw/zinc/20/32/06/751203206.db2.gz JUCDZMOKYPHIJF-LBPRGKRZSA-N 1 1 251.286 1.337 20 5 CDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029304849 751247020 /nfs/dbraw/zinc/24/70/20/751247020.db2.gz LVXHWJWRAMGQRW-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029304849 751247026 /nfs/dbraw/zinc/24/70/26/751247026.db2.gz LVXHWJWRAMGQRW-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029304849 751247041 /nfs/dbraw/zinc/24/70/41/751247041.db2.gz LVXHWJWRAMGQRW-XJFOESAGSA-N 1 1 293.367 1.127 20 5 CDBDMO Cn1ncc2c1CCC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886245531 752305939 /nfs/dbraw/zinc/30/59/39/752305939.db2.gz YQBADDAQCVLZRL-UHFFFAOYSA-N 1 1 287.323 1.672 20 5 CDBDMO Cn1ncc2c1CCC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886245531 752305944 /nfs/dbraw/zinc/30/59/44/752305944.db2.gz YQBADDAQCVLZRL-UHFFFAOYSA-N 1 1 287.323 1.672 20 5 CDBDMO CC[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313725 752372937 /nfs/dbraw/zinc/37/29/37/752372937.db2.gz OFPWFLNMXHILJE-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO CC(=O)NCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877606230 752499508 /nfs/dbraw/zinc/49/95/08/752499508.db2.gz UPHOWFLQONWPNG-UHFFFAOYSA-N 1 1 279.340 1.780 20 5 CDBDMO C[C@H](c1cccnc1)[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000791052383 752681216 /nfs/dbraw/zinc/68/12/16/752681216.db2.gz MQHWFMRIKQKXLA-GFCCVEGCSA-N 1 1 264.329 1.037 20 5 CDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC(C)(C)C)C1 ZINC001042705576 752885434 /nfs/dbraw/zinc/88/54/34/752885434.db2.gz JGTWEVZVXBHWOQ-VXGBXAGGSA-N 1 1 283.372 1.230 20 5 CDBDMO COCC[N@H+](CC(C)C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000073585909 752989687 /nfs/dbraw/zinc/98/96/87/752989687.db2.gz WGWLEDRMBGUJOM-UHFFFAOYSA-N 1 1 284.360 1.970 20 5 CDBDMO COCC[N@@H+](CC(C)C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000073585909 752989698 /nfs/dbraw/zinc/98/96/98/752989698.db2.gz WGWLEDRMBGUJOM-UHFFFAOYSA-N 1 1 284.360 1.970 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882198504 753346602 /nfs/dbraw/zinc/34/66/02/753346602.db2.gz WYAXWCDLPGKACX-UHFFFAOYSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001001523770 753379532 /nfs/dbraw/zinc/37/95/32/753379532.db2.gz OIIGNZHHTCRFDS-DGCLKSJQSA-N 1 1 295.314 1.217 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](C)OC ZINC000886212919 753408316 /nfs/dbraw/zinc/40/83/16/753408316.db2.gz IAZGMGCZXINHTC-JTQLQIEISA-N 1 1 253.302 1.847 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](C)OC ZINC000886212919 753408320 /nfs/dbraw/zinc/40/83/20/753408320.db2.gz IAZGMGCZXINHTC-JTQLQIEISA-N 1 1 253.302 1.847 20 5 CDBDMO O=[N+]([O-])c1cc(NCC2([NH+]3CCCC3)COC2)cnc1F ZINC001168447265 913351064 /nfs/dbraw/zinc/35/10/64/913351064.db2.gz DNUAAXIQWAKLSK-UHFFFAOYSA-N 1 1 296.302 1.406 20 5 CDBDMO CN1Cc2cc(N[C@H]3CC[N@@H+](C)C3)cc([N+](=O)[O-])c2N1 ZINC001167284706 895079573 /nfs/dbraw/zinc/07/95/73/895079573.db2.gz MZNHPZHMDCJNKB-JTQLQIEISA-N 1 1 277.328 1.483 20 5 CDBDMO C[N@@H+](C[C@H](O)CO)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904906 912038563 /nfs/dbraw/zinc/03/85/63/912038563.db2.gz PMESAVXSWIMOMB-HIFRSBDPSA-N 1 1 294.351 1.127 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[NH+]3CCC2CC3)s1 ZINC000226769597 936679878 /nfs/dbraw/zinc/67/98/78/936679878.db2.gz YXNGIQJCONYFRO-MRVPVSSYSA-N 1 1 254.315 1.557 20 5 CDBDMO [NH3+]Cc1ncn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])n1 ZINC001168749858 922092449 /nfs/dbraw/zinc/09/24/49/922092449.db2.gz NMBHWKFHJLVZGE-UHFFFAOYSA-N 1 1 296.290 1.696 20 5 CDBDMO CCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)OCC ZINC001168978092 927565480 /nfs/dbraw/zinc/56/54/80/927565480.db2.gz OHOILKNGMUBCDA-TUAOUCFPSA-N 1 1 272.345 1.753 20 5 CDBDMO COCCCN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168974660 927598750 /nfs/dbraw/zinc/59/87/50/927598750.db2.gz SAIMQMOZTGZRTQ-DZGCQCFKSA-N 1 1 299.415 1.522 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1O ZINC001169006169 927608706 /nfs/dbraw/zinc/60/87/06/927608706.db2.gz FPLRALPCMXCJGD-LPWJVIDDSA-N 1 1 256.346 1.525 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169005924 927609374 /nfs/dbraw/zinc/60/93/74/927609374.db2.gz DHZPEUIQASJJRO-QJPTWQEYSA-N 1 1 270.329 1.317 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCOCC23CCC3)C1 ZINC001169033929 927641416 /nfs/dbraw/zinc/64/14/16/927641416.db2.gz DUHNDWNNMUHZBA-NWDGAFQWSA-N 1 1 254.330 1.687 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](n3cncn3)C2)C1 ZINC001169034197 927642048 /nfs/dbraw/zinc/64/20/48/927642048.db2.gz FXEPGWYDTKJOGP-AGIUHOORSA-N 1 1 279.344 1.360 20 5 CDBDMO COCCC[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038465 927649442 /nfs/dbraw/zinc/64/94/42/927649442.db2.gz YXXORFKHLHJEOI-KGLIPLIRSA-N 1 1 285.388 1.086 20 5 CDBDMO C[N@@H+](Cc1cncnc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054253 927672868 /nfs/dbraw/zinc/67/28/68/927672868.db2.gz LIRDDKAGZHTAAV-PWSUYJOCSA-N 1 1 250.302 1.354 20 5 CDBDMO CN1CCc2c(-n3ccc(C[NH3+])c3)ccc([N+](=O)[O-])c2C1 ZINC001169725782 928346957 /nfs/dbraw/zinc/34/69/57/928346957.db2.gz KWSWVCPYNVTURE-UHFFFAOYSA-N 1 1 286.335 1.832 20 5 CDBDMO Cc1ccc2c(ccnc2N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170897665 930693627 /nfs/dbraw/zinc/69/36/27/930693627.db2.gz IOLUDYIDKDRASV-LBPRGKRZSA-N 1 1 289.339 1.887 20 5 CDBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886081221 930798647 /nfs/dbraw/zinc/79/86/47/930798647.db2.gz KDFXUSYWZHXIGM-QWRGUYRKSA-N 1 1 265.313 1.583 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844403356 931595632 /nfs/dbraw/zinc/59/56/32/931595632.db2.gz YURJTFDURPAVKU-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844403356 931595635 /nfs/dbraw/zinc/59/56/35/931595635.db2.gz YURJTFDURPAVKU-VXGBXAGGSA-N 1 1 284.287 1.316 20 5 CDBDMO C[N@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517505 935995597 /nfs/dbraw/zinc/99/55/97/935995597.db2.gz OZLNHBYUDHLIDG-UHFFFAOYSA-N 1 1 295.314 1.788 20 5 CDBDMO C[N@@H+](CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517505 935995598 /nfs/dbraw/zinc/99/55/98/935995598.db2.gz OZLNHBYUDHLIDG-UHFFFAOYSA-N 1 1 295.314 1.788 20 5 CDBDMO CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766824 938542882 /nfs/dbraw/zinc/54/28/82/938542882.db2.gz AENHODLSLSSKQX-DIABFLQPSA-N 1 1 283.372 1.494 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@H+]2CC[C@H]2C1 ZINC001158423843 938622279 /nfs/dbraw/zinc/62/22/79/938622279.db2.gz NLKHIAVAJWGHLM-NSHDSACASA-N 1 1 285.307 1.432 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001159780348 938752154 /nfs/dbraw/zinc/75/21/54/938752154.db2.gz YCRHTZHWKVUHID-SECBINFHSA-N 1 1 259.697 1.079 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162331134 939025593 /nfs/dbraw/zinc/02/55/93/939025593.db2.gz LQBXEDXAFAHXOX-GFCCVEGCSA-N 1 1 266.301 1.124 20 5 CDBDMO Cc1nc(N[C@@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162340437 939030022 /nfs/dbraw/zinc/03/00/22/939030022.db2.gz SNJOTPSHEACGPF-LBPRGKRZSA-N 1 1 265.317 1.589 20 5 CDBDMO COc1cc(N2CCC(F)(F)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001164319489 939454674 /nfs/dbraw/zinc/45/46/74/939454674.db2.gz HVUNYPLCFPSZCX-VIFPVBQESA-N 1 1 288.254 1.171 20 5 CDBDMO Cc1[nH+]cc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001165384869 939554474 /nfs/dbraw/zinc/55/44/74/939554474.db2.gz HRHQIDGKRMNROR-UHFFFAOYSA-N 1 1 274.284 1.097 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218233943 941047330 /nfs/dbraw/zinc/04/73/30/941047330.db2.gz BDTXDKCXVXKJHC-JTQLQIEISA-N 1 1 258.224 1.889 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226708809 942053886 /nfs/dbraw/zinc/05/38/86/942053886.db2.gz CVLMCYACTFNGCC-JTQLQIEISA-N 1 1 251.286 1.853 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990279 942253270 /nfs/dbraw/zinc/25/32/70/942253270.db2.gz IVTZOKWONCELQN-LLVKDONJSA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228609533 942342070 /nfs/dbraw/zinc/34/20/70/942342070.db2.gz DRBRCDNYQIMROZ-MRVPVSSYSA-N 1 1 258.224 1.956 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230229007 942592469 /nfs/dbraw/zinc/59/24/69/942592469.db2.gz CIPLVTJBEOWXIW-SECBINFHSA-N 1 1 291.311 1.728 20 5 CDBDMO Cn1c[nH+]cc1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001262727449 943683838 /nfs/dbraw/zinc/68/38/38/943683838.db2.gz NKGMNKBNDOPWFQ-UHFFFAOYSA-N 1 1 290.327 1.446 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H](O)C1)C2 ZINC001254595756 947544596 /nfs/dbraw/zinc/54/45/96/947544596.db2.gz ZKEXVTWRYYJOOB-HUUCEWRRSA-N 1 1 276.336 1.909 20 5 CDBDMO CCOC(=O)C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600898 947549724 /nfs/dbraw/zinc/54/97/24/947549724.db2.gz SCIOHPJVGSEEID-AWEZNQCLSA-N 1 1 290.319 1.557 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605557 947553970 /nfs/dbraw/zinc/55/39/70/947553970.db2.gz BOTRWGFCVGKJCD-HIFRSBDPSA-N 1 1 289.335 1.272 20 5 CDBDMO O=C1CC[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001330590740 956501656 /nfs/dbraw/zinc/50/16/56/956501656.db2.gz QVKOKGZGQSEFAY-LLVKDONJSA-N 1 1 289.335 1.827 20 5 CDBDMO O=C1CC[C@@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC001330590740 956501664 /nfs/dbraw/zinc/50/16/64/956501664.db2.gz QVKOKGZGQSEFAY-LLVKDONJSA-N 1 1 289.335 1.827 20 5 CDBDMO C[N@H+]1CC[C@H](C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001318731408 958250848 /nfs/dbraw/zinc/25/08/48/958250848.db2.gz OOUQTIPGILMZCI-NSHDSACASA-N 1 1 275.308 1.389 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)c1c([N+](=O)[O-])cnn1C ZINC001333679686 958506856 /nfs/dbraw/zinc/50/68/56/958506856.db2.gz ITSWFRROZJFYGB-UHFFFAOYSA-N 1 1 278.316 1.360 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NCC(=O)N1CC[NH+](C)CC1 ZINC001337008968 960842321 /nfs/dbraw/zinc/84/23/21/960842321.db2.gz JMOAGKMUSBSKJY-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337799700 961431663 /nfs/dbraw/zinc/43/16/63/961431663.db2.gz USWXRQWJKHHETP-LLVKDONJSA-N 1 1 293.371 1.962 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC001339611633 962451679 /nfs/dbraw/zinc/45/16/79/962451679.db2.gz ZTBLBAJKSDZFRV-RKDXNWHRSA-N 1 1 277.328 1.609 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589206159 342501079 /nfs/dbraw/zinc/50/10/79/342501079.db2.gz KTTBFRZATVXLAX-TXNVCOODSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@@H]1CC(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589206159 342501080 /nfs/dbraw/zinc/50/10/80/342501080.db2.gz KTTBFRZATVXLAX-TXNVCOODSA-N 1 1 289.335 1.818 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000589494220 342507837 /nfs/dbraw/zinc/50/78/37/342507837.db2.gz DRSOTFRIWMFPJB-GFCCVEGCSA-N 1 1 294.307 1.338 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000589494220 342507838 /nfs/dbraw/zinc/50/78/38/342507838.db2.gz DRSOTFRIWMFPJB-GFCCVEGCSA-N 1 1 294.307 1.338 20 5 CDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000600311849 342078697 /nfs/dbraw/zinc/07/86/97/342078697.db2.gz RCODRJFLVAXTEL-JTQLQIEISA-N 1 1 280.328 1.385 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465530 342803863 /nfs/dbraw/zinc/80/38/63/342803863.db2.gz ODJRPROQIXPKKY-UHFFFAOYSA-N 1 1 297.330 1.733 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055705 342869411 /nfs/dbraw/zinc/86/94/11/342869411.db2.gz ONGXMOURXQWPLN-JTQLQIEISA-N 1 1 280.324 1.949 20 5 CDBDMO CC(C)n1ccnc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000594930732 342974863 /nfs/dbraw/zinc/97/48/63/342974863.db2.gz HOYYLAHYMWUNJG-UHFFFAOYSA-N 1 1 278.316 1.359 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000619486584 349743622 /nfs/dbraw/zinc/74/36/22/349743622.db2.gz GYHWJJDZLGOICR-JTQLQIEISA-N 1 1 281.360 1.650 20 5 CDBDMO Cc1noc(C[N@H+](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595340233 343030675 /nfs/dbraw/zinc/03/06/75/343030675.db2.gz CLGOSCUTHMOSDB-SECBINFHSA-N 1 1 255.274 1.360 20 5 CDBDMO Cc1noc(C[N@@H+](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595340233 343030677 /nfs/dbraw/zinc/03/06/77/343030677.db2.gz CLGOSCUTHMOSDB-SECBINFHSA-N 1 1 255.274 1.360 20 5 CDBDMO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595429897 343057867 /nfs/dbraw/zinc/05/78/67/343057867.db2.gz IAUSGBDVHKNHOM-SECBINFHSA-N 1 1 257.290 1.652 20 5 CDBDMO Cc1noc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000595484591 343066008 /nfs/dbraw/zinc/06/60/08/343066008.db2.gz RZZCMJHTLKGTOP-FOSCPWQOSA-N 1 1 294.355 1.948 20 5 CDBDMO Cc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265322860 362132237 /nfs/dbraw/zinc/13/22/37/362132237.db2.gz QXHGCVGPSAVOEV-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265322860 362132241 /nfs/dbraw/zinc/13/22/41/362132241.db2.gz QXHGCVGPSAVOEV-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265322860 362132244 /nfs/dbraw/zinc/13/22/44/362132244.db2.gz QXHGCVGPSAVOEV-SNVBAGLBSA-N 1 1 295.343 1.040 20 5 CDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596093033 343234391 /nfs/dbraw/zinc/23/43/91/343234391.db2.gz ZTZBGOLGHVPHAH-VIFPVBQESA-N 1 1 290.323 1.342 20 5 CDBDMO C[N@H+]1CCCC12CCN(c1ccc(N)c([N+](=O)[O-])n1)CC2 ZINC000596182904 343250658 /nfs/dbraw/zinc/25/06/58/343250658.db2.gz TZFMVPICDDKAEI-UHFFFAOYSA-N 1 1 291.355 1.637 20 5 CDBDMO Nc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)nc1[N+](=O)[O-] ZINC000596211560 343267843 /nfs/dbraw/zinc/26/78/43/343267843.db2.gz UINUIGYMPONRAZ-LLVKDONJSA-N 1 1 291.355 1.423 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000596569687 343344910 /nfs/dbraw/zinc/34/49/10/343344910.db2.gz BXAFWYFCWHCVGF-GFCCVEGCSA-N 1 1 291.355 1.341 20 5 CDBDMO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598261871 343743932 /nfs/dbraw/zinc/74/39/32/343743932.db2.gz HIOSRBKSCKZHNF-SNVBAGLBSA-N 1 1 295.343 1.168 20 5 CDBDMO CO[C@@]1(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658094 344518825 /nfs/dbraw/zinc/51/88/25/344518825.db2.gz JBJCZHYCUKWRQO-OAHLLOKOSA-N 1 1 294.351 1.875 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602823198 344610395 /nfs/dbraw/zinc/61/03/95/344610395.db2.gz ZOPBAMUJZCKIML-AWEZNQCLSA-N 1 1 296.371 1.991 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842179 344622209 /nfs/dbraw/zinc/62/22/09/344622209.db2.gz QQQBVYIJACCKCD-WCQYABFASA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000602848660 344625661 /nfs/dbraw/zinc/62/56/61/344625661.db2.gz FDQJVCVBXZOLCM-NSHDSACASA-N 1 1 294.355 1.743 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000602848660 344625663 /nfs/dbraw/zinc/62/56/63/344625663.db2.gz FDQJVCVBXZOLCM-NSHDSACASA-N 1 1 294.355 1.743 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609664492 345987873 /nfs/dbraw/zinc/98/78/73/345987873.db2.gz KGGIDIJANHJJOP-LLVKDONJSA-N 1 1 294.355 1.347 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000305264676 349941544 /nfs/dbraw/zinc/94/15/44/349941544.db2.gz YOEKYOCOVHYEPE-CYBMUJFWSA-N 1 1 293.323 1.236 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000305264676 349941551 /nfs/dbraw/zinc/94/15/51/349941551.db2.gz YOEKYOCOVHYEPE-CYBMUJFWSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000610335772 346255291 /nfs/dbraw/zinc/25/52/91/346255291.db2.gz GZNHPLGTOXPUEF-ZYHUDNBSSA-N 1 1 284.360 1.519 20 5 CDBDMO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000610550977 346310416 /nfs/dbraw/zinc/31/04/16/346310416.db2.gz JMRJNVGELUKRGA-VIFPVBQESA-N 1 1 263.297 1.434 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037404458 346353818 /nfs/dbraw/zinc/35/38/18/346353818.db2.gz PKEKQNRBTNVMOJ-JTQLQIEISA-N 1 1 262.313 1.886 20 5 CDBDMO COC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000234792208 358454215 /nfs/dbraw/zinc/45/42/15/358454215.db2.gz WHUNPGMTJMWDCT-VIFPVBQESA-N 1 1 274.704 1.345 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091890152 180281007 /nfs/dbraw/zinc/28/10/07/180281007.db2.gz JSQBZPMCFCIKRF-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091890152 180281009 /nfs/dbraw/zinc/28/10/09/180281009.db2.gz JSQBZPMCFCIKRF-UHFFFAOYSA-N 1 1 290.298 1.989 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000152289804 188007268 /nfs/dbraw/zinc/00/72/68/188007268.db2.gz IAFAFZLAAJNCQA-LLVKDONJSA-N 1 1 252.270 1.040 20 5 CDBDMO NC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157095487 188297310 /nfs/dbraw/zinc/29/73/10/188297310.db2.gz ZJUAJZMGLHMWRK-OGOUPESXSA-N 1 1 275.308 1.415 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000408468115 283083612 /nfs/dbraw/zinc/08/36/12/283083612.db2.gz PZSXKTKWARAPPE-MFKMUULPSA-N 1 1 275.308 1.371 20 5 CDBDMO COc1cccc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134903637 356461006 /nfs/dbraw/zinc/46/10/06/356461006.db2.gz JBQITJFYVJLHFU-UHFFFAOYSA-N 1 1 295.339 1.738 20 5 CDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120196047 357256465 /nfs/dbraw/zinc/25/64/65/357256465.db2.gz NISZBNVVXCFWIQ-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247263466 357268025 /nfs/dbraw/zinc/26/80/25/357268025.db2.gz FKNWMUAMVGUMCR-GXTWGEPZSA-N 1 1 296.371 1.664 20 5 CDBDMO C[C@@]1(C[NH3+])CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000261865547 357337353 /nfs/dbraw/zinc/33/73/53/357337353.db2.gz SNISYJDYVPJHEB-AWEZNQCLSA-N 1 1 279.340 1.644 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000282798597 357477016 /nfs/dbraw/zinc/47/70/16/357477016.db2.gz OILAONUUDFHGNQ-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)CO ZINC000282798597 357477019 /nfs/dbraw/zinc/47/70/19/357477019.db2.gz OILAONUUDFHGNQ-JTQLQIEISA-N 1 1 281.312 1.154 20 5 CDBDMO C[C@H]1CCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187934111 357825064 /nfs/dbraw/zinc/82/50/64/357825064.db2.gz ROJULCKEBLJALH-NSHDSACASA-N 1 1 252.318 1.913 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000361472402 358219812 /nfs/dbraw/zinc/21/98/12/358219812.db2.gz XFUSYYLTHBIMRD-WCQYABFASA-N 1 1 296.371 1.663 20 5 CDBDMO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780868 358423352 /nfs/dbraw/zinc/42/33/52/358423352.db2.gz MYVXNZQMGAULTL-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000045428152 359148248 /nfs/dbraw/zinc/14/82/48/359148248.db2.gz RUPSFHZQRLAIEJ-UHFFFAOYSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000339625761 359419668 /nfs/dbraw/zinc/41/96/68/359419668.db2.gz CGXKWVXSHVNAOD-LLVKDONJSA-N 1 1 252.314 1.840 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CO ZINC000339631131 359420598 /nfs/dbraw/zinc/42/05/98/359420598.db2.gz SQBSOYZYURCWCS-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351775771 361397207 /nfs/dbraw/zinc/39/72/07/361397207.db2.gz WCCHFCKXXNCJFR-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351775771 361397211 /nfs/dbraw/zinc/39/72/11/361397211.db2.gz WCCHFCKXXNCJFR-NRUUGDAUSA-N 1 1 293.323 1.234 20 5 CDBDMO Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340906217 363865449 /nfs/dbraw/zinc/86/54/49/363865449.db2.gz ATWWYIPGBKZWSV-BXKDBHETSA-N 1 1 250.298 1.858 20 5 CDBDMO C[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270570481 366903079 /nfs/dbraw/zinc/90/30/79/366903079.db2.gz VFOSIRDBRZUXSR-UHFFFAOYSA-N 1 1 292.339 1.094 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152915746 367003247 /nfs/dbraw/zinc/00/32/47/367003247.db2.gz FTTAZMBHGYOOTK-YPMHNXCESA-N 1 1 280.328 1.292 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000456159603 252416254 /nfs/dbraw/zinc/41/62/54/252416254.db2.gz FPWWMJLJYRRRKF-OCCSQVGLSA-N 1 1 289.335 1.300 20 5 CDBDMO Cc1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000330870408 203335144 /nfs/dbraw/zinc/33/51/44/203335144.db2.gz FTDDNISZJAMOJE-SWLSCSKDSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000330870408 203335146 /nfs/dbraw/zinc/33/51/46/203335146.db2.gz FTDDNISZJAMOJE-SWLSCSKDSA-N 1 1 293.367 1.620 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434325 372829754 /nfs/dbraw/zinc/82/97/54/372829754.db2.gz WMWPTXCZXHMLPY-MNOVXSKESA-N 1 1 294.355 1.346 20 5 CDBDMO CC[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269678766 373687251 /nfs/dbraw/zinc/68/72/51/373687251.db2.gz QHBQSKIFJJAEEO-OAHLLOKOSA-N 1 1 293.367 1.656 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082827 374378305 /nfs/dbraw/zinc/37/83/05/374378305.db2.gz OMWQQPMDHGKUQT-GJZGRUSLSA-N 1 1 292.335 1.475 20 5 CDBDMO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473653 374383836 /nfs/dbraw/zinc/38/38/36/374383836.db2.gz HKWUGOMNAGNCHL-GXTWGEPZSA-N 1 1 292.383 1.457 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCN1C ZINC000423507193 374385098 /nfs/dbraw/zinc/38/50/98/374385098.db2.gz HTFBPFRNYOUJMQ-OCCSQVGLSA-N 1 1 292.383 1.019 20 5 CDBDMO Cc1ccc(C[NH2+]CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000080577518 374472403 /nfs/dbraw/zinc/47/24/03/374472403.db2.gz XMMSCKDNRATRBJ-UHFFFAOYSA-N 1 1 261.285 1.354 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000375695967 374507644 /nfs/dbraw/zinc/50/76/44/374507644.db2.gz GFNRLSJQHRXLEE-RYUDHWBXSA-N 1 1 292.339 1.452 20 5 CDBDMO CCC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319082 374695975 /nfs/dbraw/zinc/69/59/75/374695975.db2.gz QNUSOKKMVAHSME-CABCVRRESA-N 1 1 295.383 1.948 20 5 CDBDMO Cc1cc(C(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000275254429 374693442 /nfs/dbraw/zinc/69/34/42/374693442.db2.gz QHNCBJOFEBWMRK-UHFFFAOYSA-N 1 1 277.324 1.726 20 5 CDBDMO Cc1c([C@H](C)[NH2+]C[C@@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310475 374695391 /nfs/dbraw/zinc/69/53/91/374695391.db2.gz YZIPYLNCVBQTDV-NWDGAFQWSA-N 1 1 281.356 1.476 20 5 CDBDMO CC[N@@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166751968 375050423 /nfs/dbraw/zinc/05/04/23/375050423.db2.gz IUMYNKFECINJPM-UHFFFAOYSA-N 1 1 282.300 1.140 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299316654 375162340 /nfs/dbraw/zinc/16/23/40/375162340.db2.gz FAELQXYCZKMIKL-JTQLQIEISA-N 1 1 278.312 1.233 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000299316654 375162343 /nfs/dbraw/zinc/16/23/43/375162343.db2.gz FAELQXYCZKMIKL-JTQLQIEISA-N 1 1 278.312 1.233 20 5 CDBDMO CN1CC[NH+](CCCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000131112518 375168012 /nfs/dbraw/zinc/16/80/12/375168012.db2.gz UKUYKPCWZZSMFI-UHFFFAOYSA-N 1 1 296.396 1.719 20 5 CDBDMO COCC[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000350617665 375219687 /nfs/dbraw/zinc/21/96/87/375219687.db2.gz GZVHJTZHUBPOFU-LBPRGKRZSA-N 1 1 297.330 1.544 20 5 CDBDMO COCC[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000350617665 375219690 /nfs/dbraw/zinc/21/96/90/375219690.db2.gz GZVHJTZHUBPOFU-LBPRGKRZSA-N 1 1 297.330 1.544 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000353164047 375582436 /nfs/dbraw/zinc/58/24/36/375582436.db2.gz FVQPQPDMOPKMMD-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1(CO)CC1 ZINC000353164047 375582439 /nfs/dbraw/zinc/58/24/39/375582439.db2.gz FVQPQPDMOPKMMD-UHFFFAOYSA-N 1 1 293.323 1.298 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323362 375960479 /nfs/dbraw/zinc/96/04/79/375960479.db2.gz ANNKBEBKOBFNMO-GFCCVEGCSA-N 1 1 269.276 1.212 20 5 CDBDMO CC(C)[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000487109557 377498387 /nfs/dbraw/zinc/49/83/87/377498387.db2.gz HFUMITQMCVMRCE-JTQLQIEISA-N 1 1 267.333 1.105 20 5 CDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266848468 377564176 /nfs/dbraw/zinc/56/41/76/377564176.db2.gz BOLIGALCRRDTFR-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266848468 377564185 /nfs/dbraw/zinc/56/41/85/377564185.db2.gz BOLIGALCRRDTFR-UHFFFAOYSA-N 1 1 295.339 1.546 20 5 CDBDMO Cc1cccc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000218846433 377783244 /nfs/dbraw/zinc/78/32/44/377783244.db2.gz LEMHJVCWOYRCCD-NSHDSACASA-N 1 1 265.313 1.646 20 5 CDBDMO Cc1cccc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000218846433 377783246 /nfs/dbraw/zinc/78/32/46/377783246.db2.gz LEMHJVCWOYRCCD-NSHDSACASA-N 1 1 265.313 1.646 20 5 CDBDMO CC(C)OCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473916 378471311 /nfs/dbraw/zinc/47/13/11/378471311.db2.gz CQZRJZLIDQYFPF-GFCCVEGCSA-N 1 1 294.355 1.901 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000175239869 379674780 /nfs/dbraw/zinc/67/47/80/379674780.db2.gz UQEAFRVRVWPZDX-SNVBAGLBSA-N 1 1 295.314 1.821 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000175239869 379674789 /nfs/dbraw/zinc/67/47/89/379674789.db2.gz UQEAFRVRVWPZDX-SNVBAGLBSA-N 1 1 295.314 1.821 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491574833 253091912 /nfs/dbraw/zinc/09/19/12/253091912.db2.gz FVQKLXITIWQMJN-JECSTDCCSA-N 1 1 289.335 1.771 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000289349102 197306770 /nfs/dbraw/zinc/30/67/70/197306770.db2.gz IVIQPVDFERRUEU-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000289349102 197306772 /nfs/dbraw/zinc/30/67/72/197306772.db2.gz IVIQPVDFERRUEU-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000288291725 197045109 /nfs/dbraw/zinc/04/51/09/197045109.db2.gz GTAQJEYJMGHUCE-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000288291725 197045111 /nfs/dbraw/zinc/04/51/11/197045111.db2.gz GTAQJEYJMGHUCE-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)CO ZINC000451259443 390605533 /nfs/dbraw/zinc/60/55/33/390605533.db2.gz XZECWXNLGYJIBP-UHFFFAOYSA-N 1 1 292.339 1.921 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)CO ZINC000451259443 390605535 /nfs/dbraw/zinc/60/55/35/390605535.db2.gz XZECWXNLGYJIBP-UHFFFAOYSA-N 1 1 292.339 1.921 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186789872 391083197 /nfs/dbraw/zinc/08/31/97/391083197.db2.gz NIWMIRYRCJOTOE-UHFFFAOYSA-N 1 1 291.351 1.690 20 5 CDBDMO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184547599 391527051 /nfs/dbraw/zinc/52/70/51/391527051.db2.gz VUXQFPNYZXGOPU-LLVKDONJSA-N 1 1 280.284 1.362 20 5 CDBDMO CC(C)(CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000193368349 130617183 /nfs/dbraw/zinc/61/71/83/130617183.db2.gz UQIFNYBEMYTWTR-UHFFFAOYSA-N 1 1 294.355 1.700 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193640325 130640319 /nfs/dbraw/zinc/64/03/19/130640319.db2.gz CGMXCHDCJFYMSJ-PHIMTYICSA-N 1 1 267.354 1.650 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667406 392206952 /nfs/dbraw/zinc/20/69/52/392206952.db2.gz OWCDHKGVBHKHGW-ZJUUUORDSA-N 1 1 267.333 1.105 20 5 CDBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000090794991 392521770 /nfs/dbraw/zinc/52/17/70/392521770.db2.gz WBVRYKBRKXHOMC-UWVGGRQHSA-N 1 1 250.302 1.884 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(C)CC1 ZINC000271609525 392594302 /nfs/dbraw/zinc/59/43/02/392594302.db2.gz VEWUFMOWPBOFTB-UHFFFAOYSA-N 1 1 293.371 1.348 20 5 CDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000273679828 392751751 /nfs/dbraw/zinc/75/17/51/392751751.db2.gz ZCJNQAZVLGDRIF-CQSZACIVSA-N 1 1 299.334 1.878 20 5 CDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000273679828 392751760 /nfs/dbraw/zinc/75/17/60/392751760.db2.gz ZCJNQAZVLGDRIF-CQSZACIVSA-N 1 1 299.334 1.878 20 5 CDBDMO CC1=C[C@@H](C)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430279629 393096351 /nfs/dbraw/zinc/09/63/51/393096351.db2.gz MPDRNYPCBPLXCE-SECBINFHSA-N 1 1 250.302 1.726 20 5 CDBDMO CC1=C[C@@H](C)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000430279629 393096360 /nfs/dbraw/zinc/09/63/60/393096360.db2.gz MPDRNYPCBPLXCE-SECBINFHSA-N 1 1 250.302 1.726 20 5 CDBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332614983 393155703 /nfs/dbraw/zinc/15/57/03/393155703.db2.gz DXXVZJQMPPSBIM-VHSXEESVSA-N 1 1 252.318 1.949 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261798593 140390471 /nfs/dbraw/zinc/39/04/71/140390471.db2.gz RCNSUXKFVNWNBJ-UONOGXRCSA-N 1 1 275.352 1.679 20 5 CDBDMO NC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000102180102 147148360 /nfs/dbraw/zinc/14/83/60/147148360.db2.gz SCVFLANKPCZIOW-UHFFFAOYSA-N 1 1 278.312 1.181 20 5 CDBDMO NC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000102180102 147148362 /nfs/dbraw/zinc/14/83/62/147148362.db2.gz SCVFLANKPCZIOW-UHFFFAOYSA-N 1 1 278.312 1.181 20 5 CDBDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397431 155158661 /nfs/dbraw/zinc/15/86/61/155158661.db2.gz JRSPSSMDKRWBSV-YPMHNXCESA-N 1 1 284.360 1.663 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@H]2CO)c1 ZINC000343732392 152282353 /nfs/dbraw/zinc/28/23/53/152282353.db2.gz QIKOHZZJQCKENW-GFCCVEGCSA-N 1 1 298.364 1.383 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@H]2CO)c1 ZINC000343732392 152282357 /nfs/dbraw/zinc/28/23/57/152282357.db2.gz QIKOHZZJQCKENW-GFCCVEGCSA-N 1 1 298.364 1.383 20 5 CDBDMO C[C@H](C[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346153701 153074032 /nfs/dbraw/zinc/07/40/32/153074032.db2.gz HYMVSNKHBCMOFL-MRVPVSSYSA-N 1 1 291.311 1.151 20 5 CDBDMO Cc1nn(C)c(NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000358917167 158071273 /nfs/dbraw/zinc/07/12/73/158071273.db2.gz AEJSYXWDNONVKH-UHFFFAOYSA-N 1 1 293.331 1.048 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359828521 158391580 /nfs/dbraw/zinc/39/15/80/158391580.db2.gz DBAAUYATKDBBJC-CQSZACIVSA-N 1 1 296.323 1.057 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097783 159295946 /nfs/dbraw/zinc/29/59/46/159295946.db2.gz KECKGDFHAVPLBS-JSGCOSHPSA-N 1 1 289.335 1.951 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000363572908 159329513 /nfs/dbraw/zinc/32/95/13/159329513.db2.gz KYDQDEYRUMJEGT-QWHCGFSZSA-N 1 1 280.328 1.027 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000373303252 160190627 /nfs/dbraw/zinc/19/06/27/160190627.db2.gz YKLNJIDNIYRZKG-OAHLLOKOSA-N 1 1 292.335 1.820 20 5 CDBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000285016090 196178055 /nfs/dbraw/zinc/17/80/55/196178055.db2.gz ZKOWXRBNKOVXMW-HUUCEWRRSA-N 1 1 291.351 1.500 20 5 CDBDMO COC(C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000285331412 196252689 /nfs/dbraw/zinc/25/26/89/196252689.db2.gz NWXKIFZXSQXNQT-UHFFFAOYSA-N 1 1 268.313 1.688 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804632 262366618 /nfs/dbraw/zinc/36/66/18/262366618.db2.gz HQDFCQOCYMQANI-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000514580995 266004017 /nfs/dbraw/zinc/00/40/17/266004017.db2.gz GUNCDEFJLKWOJY-ZJUUUORDSA-N 1 1 279.344 1.612 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343784130 274333080 /nfs/dbraw/zinc/33/30/80/274333080.db2.gz QAOOFNGDODBSRX-SNVBAGLBSA-N 1 1 267.304 1.870 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301282025 276157914 /nfs/dbraw/zinc/15/79/14/276157914.db2.gz MWTOHLZLLUVLOH-LLVKDONJSA-N 1 1 281.360 1.923 20 5 CDBDMO CN[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393351 277293816 /nfs/dbraw/zinc/29/38/16/277293816.db2.gz PCBWSEICUVDGHB-MNOVXSKESA-N 1 1 251.330 1.723 20 5 CDBDMO C[C@@H](NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423330505 277617007 /nfs/dbraw/zinc/61/70/07/277617007.db2.gz PGOMXLUWGMVXEK-MRVPVSSYSA-N 1 1 259.256 1.839 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343418134 279124976 /nfs/dbraw/zinc/12/49/76/279124976.db2.gz BCNMMORPJRQPQP-ZYHUDNBSSA-N 1 1 277.324 1.807 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000282210475 279210994 /nfs/dbraw/zinc/21/09/94/279210994.db2.gz DHMXAZHBZDMDAE-CYBMUJFWSA-N 1 1 293.323 1.184 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551583 279279267 /nfs/dbraw/zinc/27/92/67/279279267.db2.gz WYYNHZBNVKUPAZ-GFCCVEGCSA-N 1 1 295.339 1.115 20 5 CDBDMO CCc1[nH+]ccn1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000158788975 289317254 /nfs/dbraw/zinc/31/72/54/289317254.db2.gz MMWUJKFNVRDPCY-UHFFFAOYSA-N 1 1 274.280 1.992 20 5 CDBDMO CN(Cc1nc(C[NH3+])no1)c1ccccc1[N+](=O)[O-] ZINC000566213789 316516996 /nfs/dbraw/zinc/51/69/96/316516996.db2.gz DPJURWYRRDYCAA-UHFFFAOYSA-N 1 1 263.257 1.073 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578771008 324022240 /nfs/dbraw/zinc/02/22/40/324022240.db2.gz AURFQKPIZQEMNU-VXGBXAGGSA-N 1 1 293.371 1.150 20 5 CDBDMO CCCC[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049800251 520524038 /nfs/dbraw/zinc/52/40/38/520524038.db2.gz MQNORYJTYYEMFR-UHFFFAOYSA-N 1 1 295.339 1.628 20 5 CDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049800251 520524046 /nfs/dbraw/zinc/52/40/46/520524046.db2.gz MQNORYJTYYEMFR-UHFFFAOYSA-N 1 1 295.339 1.628 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708063 523840386 /nfs/dbraw/zinc/84/03/86/523840386.db2.gz LLIUQFYZSRQHPS-SNVBAGLBSA-N 1 1 292.339 1.249 20 5 CDBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246819805 524132673 /nfs/dbraw/zinc/13/26/73/524132673.db2.gz XBZXMWSTQASQBK-BNOWGMLFSA-N 1 1 296.371 1.663 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338585495 527372902 /nfs/dbraw/zinc/37/29/02/527372902.db2.gz RMOVEFGNXLCUGI-ZDUSSCGKSA-N 1 1 284.287 1.380 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338585495 527372906 /nfs/dbraw/zinc/37/29/06/527372906.db2.gz RMOVEFGNXLCUGI-ZDUSSCGKSA-N 1 1 284.287 1.380 20 5 CDBDMO CC[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173659757 528551833 /nfs/dbraw/zinc/55/18/33/528551833.db2.gz DEGLLVDGUSKPMJ-UHFFFAOYSA-N 1 1 284.312 1.296 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290605376 528818362 /nfs/dbraw/zinc/81/83/62/528818362.db2.gz ZNFRZLQBLLJFJY-UHFFFAOYSA-N 1 1 295.343 1.231 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773255355 575795559 /nfs/dbraw/zinc/79/55/59/575795559.db2.gz HOGZGAUVZPWGDF-OLZOCXBDSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773255355 575795561 /nfs/dbraw/zinc/79/55/61/575795561.db2.gz HOGZGAUVZPWGDF-OLZOCXBDSA-N 1 1 294.355 1.887 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000742161925 576583400 /nfs/dbraw/zinc/58/34/00/576583400.db2.gz TXXPGGNFPQVAFH-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000742161925 576583403 /nfs/dbraw/zinc/58/34/03/576583403.db2.gz TXXPGGNFPQVAFH-UHFFFAOYSA-N 1 1 280.328 1.641 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000893933807 618193010 /nfs/dbraw/zinc/19/30/10/618193010.db2.gz CVAVWKJTXSUAPL-KWQFWETISA-N 1 1 282.731 1.784 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000893938738 618199731 /nfs/dbraw/zinc/19/97/31/618199731.db2.gz FPEMOMGAONYBII-GHMZBOCLSA-N 1 1 279.344 1.260 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782605754 618365260 /nfs/dbraw/zinc/36/52/60/618365260.db2.gz QNCBYJRZPZSDHZ-RISCZKNCSA-N 1 1 278.308 1.418 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782605754 618365263 /nfs/dbraw/zinc/36/52/63/618365263.db2.gz QNCBYJRZPZSDHZ-RISCZKNCSA-N 1 1 278.308 1.418 20 5 CDBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000928571650 619418893 /nfs/dbraw/zinc/41/88/93/619418893.db2.gz BSAUDVFNEMWJRZ-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928571650 619418894 /nfs/dbraw/zinc/41/88/94/619418894.db2.gz BSAUDVFNEMWJRZ-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc(OC(F)F)c(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905158814 626641396 /nfs/dbraw/zinc/64/13/96/626641396.db2.gz JHQYKSHVYPPXES-UHFFFAOYSA-N 1 1 260.240 1.963 20 5 CDBDMO COc1ccc(C2=NO[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905254294 626707092 /nfs/dbraw/zinc/70/70/92/626707092.db2.gz KKTQZTFJJQKVPO-LBPRGKRZSA-N 1 1 279.296 1.055 20 5 CDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656816 631770933 /nfs/dbraw/zinc/77/09/33/631770933.db2.gz JRJZXHJGYNZYJG-LLVKDONJSA-N 1 1 267.333 1.021 20 5 CDBDMO CCCN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927853 1164883603 /nfs/dbraw/zinc/88/36/03/1164883603.db2.gz PZGVWKJTNQXJEA-CYBMUJFWSA-N 1 1 265.313 1.637 20 5 CDBDMO C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870877781 1165225671 /nfs/dbraw/zinc/22/56/71/1165225671.db2.gz NSURRYNIGLLPKC-HZMBPMFUSA-N 1 1 277.324 1.637 20 5 CDBDMO CC(C)CNC(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015838 1166617814 /nfs/dbraw/zinc/61/78/14/1166617814.db2.gz WQRQDNZTPPDSRG-UHFFFAOYSA-N 1 1 265.313 1.457 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC000310630222 1186673450 /nfs/dbraw/zinc/67/34/50/1186673450.db2.gz MVSHVVKHYVTESH-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC000310630222 1186673453 /nfs/dbraw/zinc/67/34/53/1186673453.db2.gz MVSHVVKHYVTESH-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164641716 719216604 /nfs/dbraw/zinc/21/66/04/719216604.db2.gz UWRUNWBGVHKACZ-ZJUUUORDSA-N 1 1 280.328 1.065 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164641716 719216610 /nfs/dbraw/zinc/21/66/10/719216610.db2.gz UWRUNWBGVHKACZ-ZJUUUORDSA-N 1 1 280.328 1.065 20 5 CDBDMO Cc1nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000590696187 719249272 /nfs/dbraw/zinc/24/92/72/719249272.db2.gz HKFYNADNVJZKCR-IUCAKERBSA-N 1 1 265.317 1.222 20 5 CDBDMO C[C@@H]([NH2+]C1CC1)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843233031 753919624 /nfs/dbraw/zinc/91/96/24/753919624.db2.gz HAVKKNKTRNXYJA-MRVPVSSYSA-N 1 1 268.317 1.871 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851969023 753958462 /nfs/dbraw/zinc/95/84/62/753958462.db2.gz XGNFKDZPJJMNGD-MFKMUULPSA-N 1 1 266.272 1.548 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000851969023 753958467 /nfs/dbraw/zinc/95/84/67/753958467.db2.gz XGNFKDZPJJMNGD-MFKMUULPSA-N 1 1 266.272 1.548 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839460238 754126301 /nfs/dbraw/zinc/12/63/01/754126301.db2.gz DHGSTDSHTKMQLM-UPJWGTAASA-N 1 1 277.324 1.071 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000886830303 754205079 /nfs/dbraw/zinc/20/50/79/754205079.db2.gz OQMGBGOBAWQPBL-NEPJUHHUSA-N 1 1 280.328 1.292 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000882961210 754901403 /nfs/dbraw/zinc/90/14/03/754901403.db2.gz IEHUFDRFZKKNNI-JTQLQIEISA-N 1 1 275.312 1.749 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075281 /nfs/dbraw/zinc/07/52/81/755075281.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 1 291.351 1.684 20 5 CDBDMO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075287 /nfs/dbraw/zinc/07/52/87/755075287.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 1 291.351 1.684 20 5 CDBDMO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075291 /nfs/dbraw/zinc/07/52/91/755075291.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 1 291.351 1.684 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075298 /nfs/dbraw/zinc/07/52/98/755075298.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 1 291.351 1.684 20 5 CDBDMO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931437200 755075311 /nfs/dbraw/zinc/07/53/11/755075311.db2.gz NEWQKTQTHNLSDU-YPMHNXCESA-N 1 1 291.351 1.684 20 5 CDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000830135376 755317405 /nfs/dbraw/zinc/31/74/05/755317405.db2.gz NORZMBFJBPNKBZ-JTQLQIEISA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000830135376 755317414 /nfs/dbraw/zinc/31/74/14/755317414.db2.gz NORZMBFJBPNKBZ-JTQLQIEISA-N 1 1 295.364 1.751 20 5 CDBDMO COCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000790479689 755318288 /nfs/dbraw/zinc/31/82/88/755318288.db2.gz QMZKPNJHEXOFDC-VXGBXAGGSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000790479689 755318294 /nfs/dbraw/zinc/31/82/94/755318294.db2.gz QMZKPNJHEXOFDC-VXGBXAGGSA-N 1 1 282.344 1.886 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000829010308 755343216 /nfs/dbraw/zinc/34/32/16/755343216.db2.gz RLJVTCIQNGSCNT-TXEJJXNPSA-N 1 1 292.339 1.452 20 5 CDBDMO CC[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585691 755352450 /nfs/dbraw/zinc/35/24/50/755352450.db2.gz ZHVINZUFIYRWFU-OCCSQVGLSA-N 1 1 280.324 1.739 20 5 CDBDMO CC[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585691 755352452 /nfs/dbraw/zinc/35/24/52/755352452.db2.gz ZHVINZUFIYRWFU-OCCSQVGLSA-N 1 1 280.324 1.739 20 5 CDBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC000929674278 755800936 /nfs/dbraw/zinc/80/09/36/755800936.db2.gz ZEJSTWXKADGOMH-UHFFFAOYSA-N 1 1 261.322 1.110 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000827573971 756023861 /nfs/dbraw/zinc/02/38/61/756023861.db2.gz QORRHSQAOKVLFH-VXGBXAGGSA-N 1 1 285.388 1.763 20 5 CDBDMO Cc1[nH+]ccn1CCCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838239 756044225 /nfs/dbraw/zinc/04/42/25/756044225.db2.gz UPKHKYIIWNNUTR-UHFFFAOYSA-N 1 1 294.271 1.685 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886267496 756241621 /nfs/dbraw/zinc/24/16/21/756241621.db2.gz OCSVQSPQNFQNJU-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886267496 756241622 /nfs/dbraw/zinc/24/16/22/756241622.db2.gz OCSVQSPQNFQNJU-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CC[C@H](C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000887055722 756315823 /nfs/dbraw/zinc/31/58/23/756315823.db2.gz IFVCCJVDFOVPHV-UFBFGSQYSA-N 1 1 283.303 1.724 20 5 CDBDMO COCCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000841690044 756445678 /nfs/dbraw/zinc/44/56/78/756445678.db2.gz ASDJQKRJCPGNFX-UHFFFAOYSA-N 1 1 256.306 1.416 20 5 CDBDMO COCCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000841690044 756445683 /nfs/dbraw/zinc/44/56/83/756445683.db2.gz ASDJQKRJCPGNFX-UHFFFAOYSA-N 1 1 256.306 1.416 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001926 757493466 /nfs/dbraw/zinc/49/34/66/757493466.db2.gz NCYULNKPOIMFOQ-CMPLNLGQSA-N 1 1 265.313 1.725 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933863685 757748319 /nfs/dbraw/zinc/74/83/19/757748319.db2.gz GPVGGOWMINJOJE-CYBMUJFWSA-N 1 1 295.339 1.086 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147301 757828255 /nfs/dbraw/zinc/82/82/55/757828255.db2.gz BWPGIHLTNWYEDD-KBPBESRZSA-N 1 1 277.368 1.858 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000886086544 757940566 /nfs/dbraw/zinc/94/05/66/757940566.db2.gz KLGQLIXTQREXBJ-PWSUYJOCSA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000780357580 758436686 /nfs/dbraw/zinc/43/66/86/758436686.db2.gz CTTLSFWFMUFDAI-JKOKRWQUSA-N 1 1 280.324 1.331 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O ZINC000879141954 758448570 /nfs/dbraw/zinc/44/85/70/758448570.db2.gz GEWLEIPJTBAATH-RBSFLKMASA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1N ZINC001173229910 912324832 /nfs/dbraw/zinc/32/48/32/912324832.db2.gz WBLCILMIXCAESS-LEWSCRJBSA-N 1 1 263.341 1.995 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000695903003 900069782 /nfs/dbraw/zinc/06/97/82/900069782.db2.gz DWIQOAHNSXZADL-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000695903003 900069788 /nfs/dbraw/zinc/06/97/88/900069788.db2.gz DWIQOAHNSXZADL-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000695903003 900069793 /nfs/dbraw/zinc/06/97/93/900069793.db2.gz DWIQOAHNSXZADL-SMDDNHRTSA-N 1 1 278.356 1.641 20 5 CDBDMO O=C(NCCCCCC[NH2+]CCCF)[C@@H]1CC1[N+](=O)[O-] ZINC001178458476 915447565 /nfs/dbraw/zinc/44/75/65/915447565.db2.gz IPEDWNIXPRSZFN-VXGBXAGGSA-N 1 1 289.351 1.277 20 5 CDBDMO O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000700545248 922237397 /nfs/dbraw/zinc/23/73/97/922237397.db2.gz LMCJGBYOVVQBRB-UHFFFAOYSA-N 1 1 283.715 1.684 20 5 CDBDMO CCOC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168980401 927567836 /nfs/dbraw/zinc/56/78/36/927567836.db2.gz DGASYPNVBJGNBB-GHMZBOCLSA-N 1 1 270.329 1.507 20 5 CDBDMO CC(C)[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007119 927611851 /nfs/dbraw/zinc/61/18/51/927611851.db2.gz LIFHQXCXZXYBQA-QWHCGFSZSA-N 1 1 255.362 1.458 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]1(C)O ZINC001169010920 927617892 /nfs/dbraw/zinc/61/78/92/927617892.db2.gz GEAZCCMZVDQICX-VOAKCMCISA-N 1 1 256.346 1.525 20 5 CDBDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011934 927618189 /nfs/dbraw/zinc/61/81/89/927618189.db2.gz NTWLCVZNTMZUDU-MNOVXSKESA-N 1 1 272.345 1.705 20 5 CDBDMO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987189 927622815 /nfs/dbraw/zinc/62/28/15/927622815.db2.gz HIKCZULMTQSZGW-AXFHLTTASA-N 1 1 258.318 1.363 20 5 CDBDMO COC(=O)C[N@@H+](C1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039306 927651073 /nfs/dbraw/zinc/65/10/73/927651073.db2.gz PMECEFRTQXNBAN-AAEUAGOBSA-N 1 1 284.356 1.849 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC001169044532 927656942 /nfs/dbraw/zinc/65/69/42/927656942.db2.gz IEQYNFHDKQPPSQ-AGIUHOORSA-N 1 1 279.344 1.360 20 5 CDBDMO O=C1CCC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)N1 ZINC001169018253 927657295 /nfs/dbraw/zinc/65/72/95/927657295.db2.gz AEFMDYNVZAUEAD-KCQAQPDRSA-N 1 1 295.383 1.567 20 5 CDBDMO O=C1NCC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169023505 927663225 /nfs/dbraw/zinc/66/32/25/927663225.db2.gz VBSVFVVGQJCIND-DYEKYZERSA-N 1 1 281.356 1.034 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(C3CCOCC3)CC2)C1 ZINC001169024381 927663408 /nfs/dbraw/zinc/66/34/08/927663408.db2.gz GWBDQDQZCIMOMZ-ZFWWWQNUSA-N 1 1 297.399 1.228 20 5 CDBDMO C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC2(C1)OCCO2 ZINC001169050027 927668879 /nfs/dbraw/zinc/66/88/79/927668879.db2.gz YCJIUPPXDBLUNY-JHJVBQTASA-N 1 1 284.356 1.659 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001157262981 929400157 /nfs/dbraw/zinc/40/01/57/929400157.db2.gz ZMBSUPKRURIZIV-BXKDBHETSA-N 1 1 280.303 1.659 20 5 CDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC001154615942 937566826 /nfs/dbraw/zinc/56/68/26/937566826.db2.gz JJYSMDQCTLLTEC-UHFFFAOYSA-N 1 1 288.307 1.784 20 5 CDBDMO COC(=O)[C@H](C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930019413 933297146 /nfs/dbraw/zinc/29/71/46/933297146.db2.gz VNDCSUYZZWKNIN-ZYHUDNBSSA-N 1 1 266.297 1.403 20 5 CDBDMO COc1ncnc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156379433 938361208 /nfs/dbraw/zinc/36/12/08/938361208.db2.gz VFGQAEYCVFWYLT-SNVBAGLBSA-N 1 1 295.343 1.537 20 5 CDBDMO N=c1cc(C[NH3+])ncn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156628494 938397449 /nfs/dbraw/zinc/39/74/49/938397449.db2.gz VXHMNTJACGSKFN-UHFFFAOYSA-N 1 1 296.290 1.267 20 5 CDBDMO CCN(c1ncnc2ccc([N+](=O)[O-])cc21)C1C[NH+](C)C1 ZINC001157455552 938494375 /nfs/dbraw/zinc/49/43/75/938494375.db2.gz PFFKBXNTFSWMNR-UHFFFAOYSA-N 1 1 287.323 1.678 20 5 CDBDMO Cc1cc(Cl)nc(N2CC3(C2)C[NH+](C)C3)c1[N+](=O)[O-] ZINC001158864629 938672930 /nfs/dbraw/zinc/67/29/30/938672930.db2.gz VHVARHYRHQXWPT-UHFFFAOYSA-N 1 1 282.731 1.703 20 5 CDBDMO Cc1nc(NC2C[NH+](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001162226167 938964790 /nfs/dbraw/zinc/96/47/90/938964790.db2.gz XNZBNUZWCJDQKD-UHFFFAOYSA-N 1 1 265.317 1.588 20 5 CDBDMO COc1nc(N2CCC(F)(F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164320178 939455087 /nfs/dbraw/zinc/45/50/87/939455087.db2.gz ZNGZGLOXTDLNHW-MRVPVSSYSA-N 1 1 288.254 1.171 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1COC[C@H]1C[N@H+](C)CCO1 ZINC001223945910 941708663 /nfs/dbraw/zinc/70/86/63/941708663.db2.gz ORAYTGPZQDYUJY-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1COC[C@H]1C[N@@H+](C)CCO1 ZINC001223945910 941708665 /nfs/dbraw/zinc/70/86/65/941708665.db2.gz ORAYTGPZQDYUJY-CYBMUJFWSA-N 1 1 296.323 1.451 20 5 CDBDMO O=[N+]([O-])c1ccc(CO[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001224114229 941721214 /nfs/dbraw/zinc/72/12/14/941721214.db2.gz MIVJUAAMGKZZDT-NSHDSACASA-N 1 1 274.280 1.718 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224701336 941784301 /nfs/dbraw/zinc/78/43/01/941784301.db2.gz FKPUOVRVUMXBJF-KBPBESRZSA-N 1 1 279.340 1.900 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225941236 941932158 /nfs/dbraw/zinc/93/21/58/941932158.db2.gz FAXKHXYEHQTEDS-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226334529 941989004 /nfs/dbraw/zinc/98/90/04/941989004.db2.gz WGIVHXMUBRQIBM-SECBINFHSA-N 1 1 252.270 1.773 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@H+](C)C1 ZINC001226760558 942064875 /nfs/dbraw/zinc/06/48/75/942064875.db2.gz BNVXCSGPRTVKKM-LLVKDONJSA-N 1 1 251.286 1.771 20 5 CDBDMO Cc1cnc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227236996 942155499 /nfs/dbraw/zinc/15/54/99/942155499.db2.gz NUBDZOBTISCZDV-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO O=[N+]([O-])c1ccc(O)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001229395381 942463574 /nfs/dbraw/zinc/46/35/74/942463574.db2.gz HXEIYONFSNFXSE-CYBMUJFWSA-N 1 1 264.281 1.773 20 5 CDBDMO C[C@H](C[N+](=O)[O-])OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001525397700 970955591 /nfs/dbraw/zinc/95/55/91/970955591.db2.gz SUZJYJVTMVBMGO-SECBINFHSA-N 1 1 276.252 1.089 20 5 CDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001303986137 944290527 /nfs/dbraw/zinc/29/05/27/944290527.db2.gz OUOMTHABPYPJBG-LBPRGKRZSA-N 1 1 292.339 1.247 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596058 947545270 /nfs/dbraw/zinc/54/52/70/947545270.db2.gz BHWWBUPVZYKINQ-GMXABZIVSA-N 1 1 276.336 1.765 20 5 CDBDMO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001331229143 956902391 /nfs/dbraw/zinc/90/23/91/956902391.db2.gz HOFKWRZYEWSVCL-GFCCVEGCSA-N 1 1 293.323 1.907 20 5 CDBDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001331229143 956902395 /nfs/dbraw/zinc/90/23/95/956902395.db2.gz HOFKWRZYEWSVCL-GFCCVEGCSA-N 1 1 293.323 1.907 20 5 CDBDMO Cc1ccnc(OC2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC001333298748 958221336 /nfs/dbraw/zinc/22/13/36/958221336.db2.gz HTLKHYMGEIISAY-UHFFFAOYSA-N 1 1 265.313 1.510 20 5 CDBDMO Cc1cccc(NCCNc2c(C)cncc2[N+](=O)[O-])[nH+]1 ZINC001333733706 958553077 /nfs/dbraw/zinc/55/30/77/958553077.db2.gz WSOSYWFXKAMRRJ-UHFFFAOYSA-N 1 1 287.323 1.948 20 5 CDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C1CCCC1 ZINC001336725152 960509162 /nfs/dbraw/zinc/50/91/62/960509162.db2.gz BORPHVDFMQSNNF-LLVKDONJSA-N 1 1 291.355 1.838 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601036115 342459219 /nfs/dbraw/zinc/45/92/19/342459219.db2.gz QREBDKYGJNBCCC-UHFFFAOYSA-N 1 1 295.314 1.948 20 5 CDBDMO Cc1cccc(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199824 343979692 /nfs/dbraw/zinc/97/96/92/343979692.db2.gz RNDNMDDHRFPSCD-NSHDSACASA-N 1 1 265.313 1.382 20 5 CDBDMO CC(=O)NCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000564929285 365547225 /nfs/dbraw/zinc/54/72/25/365547225.db2.gz RXZSZJFCSGNREY-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601457165 342564388 /nfs/dbraw/zinc/56/43/88/342564388.db2.gz LJVUHERBKQGCQG-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000565414878 365651380 /nfs/dbraw/zinc/65/13/80/365651380.db2.gz BKRBDGZTJNNUCK-UHFFFAOYSA-N 1 1 268.254 1.119 20 5 CDBDMO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000591145699 342618547 /nfs/dbraw/zinc/61/85/47/342618547.db2.gz FLYZNZDBWZOZSR-SNVBAGLBSA-N 1 1 298.318 1.286 20 5 CDBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000591145699 342618548 /nfs/dbraw/zinc/61/85/48/342618548.db2.gz FLYZNZDBWZOZSR-SNVBAGLBSA-N 1 1 298.318 1.286 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252935063 342665348 /nfs/dbraw/zinc/66/53/48/342665348.db2.gz WXPASXFBYAWXKW-VXGBXAGGSA-N 1 1 282.344 1.335 20 5 CDBDMO CN(CCC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000592473617 342698552 /nfs/dbraw/zinc/69/85/52/342698552.db2.gz HCSHTYUYDZDQRY-UHFFFAOYSA-N 1 1 253.302 1.254 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593106752 342768573 /nfs/dbraw/zinc/76/85/73/342768573.db2.gz BQFAJWKEESRHTN-NSHDSACASA-N 1 1 295.339 1.626 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593187387 342776273 /nfs/dbraw/zinc/77/62/73/342776273.db2.gz JUXTYXYHGRGACX-IVZWLZJFSA-N 1 1 281.312 1.741 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000593187387 342776274 /nfs/dbraw/zinc/77/62/74/342776274.db2.gz JUXTYXYHGRGACX-IVZWLZJFSA-N 1 1 281.312 1.741 20 5 CDBDMO C[C@H](C(=O)N1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514987039 362001806 /nfs/dbraw/zinc/00/18/06/362001806.db2.gz LRUIRZKEGDYRPG-LBPRGKRZSA-N 1 1 291.351 1.862 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000609383627 342265455 /nfs/dbraw/zinc/26/54/55/342265455.db2.gz XPOYMBDPRHELSM-JTQLQIEISA-N 1 1 295.364 1.870 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CNC(=O)C1 ZINC000595286674 343023290 /nfs/dbraw/zinc/02/32/90/343023290.db2.gz GBFDUXZDVIJILM-SNVBAGLBSA-N 1 1 263.297 1.163 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076270023 342320384 /nfs/dbraw/zinc/32/03/84/342320384.db2.gz DJZWFGXLHRWFIR-QMMMGPOBSA-N 1 1 268.321 1.109 20 5 CDBDMO CO[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595523143 343088955 /nfs/dbraw/zinc/08/89/55/343088955.db2.gz IPKWMRKVPHIPAZ-WPRPVWTQSA-N 1 1 269.301 1.748 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595523143 343088957 /nfs/dbraw/zinc/08/89/57/343088957.db2.gz IPKWMRKVPHIPAZ-WPRPVWTQSA-N 1 1 269.301 1.748 20 5 CDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1onc(C)c1[N+](=O)[O-] ZINC000595489437 343075754 /nfs/dbraw/zinc/07/57/54/343075754.db2.gz ASEAMAIJUQSUJH-UHEDFLHXSA-N 1 1 293.323 1.746 20 5 CDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595730030 343141366 /nfs/dbraw/zinc/14/13/66/343141366.db2.gz ZIOCHRCQELCBLV-YPMHNXCESA-N 1 1 289.335 1.695 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875583 343178388 /nfs/dbraw/zinc/17/83/88/343178388.db2.gz QYWYJWGUMGKSMG-WFASDCNBSA-N 1 1 294.351 1.924 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090537987 342396362 /nfs/dbraw/zinc/39/63/62/342396362.db2.gz AMQVMKGKBOFWSF-VXGBXAGGSA-N 1 1 279.344 1.008 20 5 CDBDMO O=[N+]([O-])c1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090537987 342396363 /nfs/dbraw/zinc/39/63/63/342396363.db2.gz AMQVMKGKBOFWSF-VXGBXAGGSA-N 1 1 279.344 1.008 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252672498 282274710 /nfs/dbraw/zinc/27/47/10/282274710.db2.gz ARGUKYFTKHOYME-MNOVXSKESA-N 1 1 279.344 1.675 20 5 CDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295028930 199308852 /nfs/dbraw/zinc/30/88/52/199308852.db2.gz CZBSNGFPLJNLEH-LBPRGKRZSA-N 1 1 293.323 1.867 20 5 CDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295028930 199308854 /nfs/dbraw/zinc/30/88/54/199308854.db2.gz CZBSNGFPLJNLEH-LBPRGKRZSA-N 1 1 293.323 1.867 20 5 CDBDMO CCC(O)(CC)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000599672503 344114453 /nfs/dbraw/zinc/11/44/53/344114453.db2.gz DRWAZIIMOHTTBD-UHFFFAOYSA-N 1 1 270.333 1.274 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571488 344089923 /nfs/dbraw/zinc/08/99/23/344089923.db2.gz IYKWPHQVHBRIFY-UHFFFAOYSA-N 1 1 280.324 1.942 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601578281 344197257 /nfs/dbraw/zinc/19/72/57/344197257.db2.gz YGUFUEIQCMCPKO-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601578281 344197258 /nfs/dbraw/zinc/19/72/58/344197258.db2.gz YGUFUEIQCMCPKO-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO CCO[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778704 344594132 /nfs/dbraw/zinc/59/41/32/344594132.db2.gz KHLUZPRUZCNKTN-LBPRGKRZSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000602772631 344576911 /nfs/dbraw/zinc/57/69/11/344576911.db2.gz VYDGKMRNXFVMGA-UHFFFAOYSA-N 1 1 292.343 1.355 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@@H](C)C1 ZINC000602817306 344607239 /nfs/dbraw/zinc/60/72/39/344607239.db2.gz AJOKTUICTXILLQ-JTQLQIEISA-N 1 1 284.385 1.785 20 5 CDBDMO Cc1n[nH]cc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602941460 344666115 /nfs/dbraw/zinc/66/61/15/344666115.db2.gz KMEGRDFVLCXTCF-UHFFFAOYSA-N 1 1 278.316 1.263 20 5 CDBDMO Cc1n[nH]cc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602941460 344666117 /nfs/dbraw/zinc/66/61/17/344666117.db2.gz KMEGRDFVLCXTCF-UHFFFAOYSA-N 1 1 278.316 1.263 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000602838492 344620019 /nfs/dbraw/zinc/62/00/19/344620019.db2.gz SQEIMVFWGWKABX-ZDUSSCGKSA-N 1 1 295.387 1.514 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000602838488 344620313 /nfs/dbraw/zinc/62/03/13/344620313.db2.gz SQEIMVFWGWKABX-CYBMUJFWSA-N 1 1 295.387 1.514 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842135 344622025 /nfs/dbraw/zinc/62/20/25/344622025.db2.gz QHZZDMWNSIAYMV-PWSUYJOCSA-N 1 1 282.344 1.457 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000602879841 344632194 /nfs/dbraw/zinc/63/21/94/344632194.db2.gz GFGXMTRJBWDRCW-RYUDHWBXSA-N 1 1 284.287 1.052 20 5 CDBDMO O=[N+]([O-])c1ncccc1NCCC[NH+]1CCOCC1 ZINC000159276647 344786364 /nfs/dbraw/zinc/78/63/64/344786364.db2.gz DTSQDIWNLLPZQS-UHFFFAOYSA-N 1 1 266.301 1.124 20 5 CDBDMO Cc1cccn2cc(Cn3ccc(=O)c([N+](=O)[O-])c3)[nH+]c12 ZINC000344179444 362547861 /nfs/dbraw/zinc/54/78/61/362547861.db2.gz FMAMEXFQCNPTJI-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO COC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159821382 362534685 /nfs/dbraw/zinc/53/46/85/362534685.db2.gz RXJDIQXPSYTYFJ-LBPRGKRZSA-N 1 1 295.339 1.115 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344204593 362556025 /nfs/dbraw/zinc/55/60/25/362556025.db2.gz AWFLKEQXQZATDN-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c([N+](=O)[O-])ncn1C ZINC000610282739 346243598 /nfs/dbraw/zinc/24/35/98/346243598.db2.gz SMHOKTPGCKZWKO-NSHDSACASA-N 1 1 281.360 1.639 20 5 CDBDMO CCC[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252299 346719192 /nfs/dbraw/zinc/71/91/92/346719192.db2.gz KIADMXAPKHXKFH-UHFFFAOYSA-N 1 1 296.323 1.570 20 5 CDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000067866119 349040289 /nfs/dbraw/zinc/04/02/89/349040289.db2.gz ZWIKWTQINQDGLI-UHFFFAOYSA-N 1 1 253.258 1.012 20 5 CDBDMO COC[C@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364121967 362953053 /nfs/dbraw/zinc/95/30/53/362953053.db2.gz BNMHLWPQUMCMTR-LBPRGKRZSA-N 1 1 282.344 1.540 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849879 186278225 /nfs/dbraw/zinc/27/82/25/186278225.db2.gz IKRZLUYVIJZYGJ-VIFPVBQESA-N 1 1 297.742 1.930 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079770548 350967842 /nfs/dbraw/zinc/96/78/42/350967842.db2.gz PJYUHGDCMBRLFX-ZDUSSCGKSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579655 188383746 /nfs/dbraw/zinc/38/37/46/188383746.db2.gz FWKBYPICWIHKAG-XTZNXHDOSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579655 188383748 /nfs/dbraw/zinc/38/37/48/188383748.db2.gz FWKBYPICWIHKAG-XTZNXHDOSA-N 1 1 270.354 1.794 20 5 CDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090517634 358479888 /nfs/dbraw/zinc/47/98/88/358479888.db2.gz XGBVIAOMJHXADG-UHFFFAOYSA-N 1 1 297.355 1.361 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000340911483 363461775 /nfs/dbraw/zinc/46/17/75/363461775.db2.gz FLPSPZJWNRCQNO-GHMZBOCLSA-N 1 1 266.297 1.429 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366482844 363566399 /nfs/dbraw/zinc/56/63/99/363566399.db2.gz UKHZZQPCRSCIRI-ZDUSSCGKSA-N 1 1 282.344 1.719 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000156524220 356902724 /nfs/dbraw/zinc/90/27/24/356902724.db2.gz FLRQPODOLIYONP-AWEZNQCLSA-N 1 1 289.335 1.574 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Cc1[nH+]ccn1CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000347756547 359552082 /nfs/dbraw/zinc/55/20/82/359552082.db2.gz YWWBRCKXBUMINS-UHFFFAOYSA-N 1 1 262.269 1.270 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000408364159 359694414 /nfs/dbraw/zinc/69/44/14/359694414.db2.gz HTFFTRCNDBBWPO-WDEREUQCSA-N 1 1 279.344 1.249 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131254020 361065100 /nfs/dbraw/zinc/06/51/00/361065100.db2.gz XDOWNKMHWJDZRW-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131254020 361065107 /nfs/dbraw/zinc/06/51/07/361065107.db2.gz XDOWNKMHWJDZRW-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000361384518 364430664 /nfs/dbraw/zinc/43/06/64/364430664.db2.gz KXHFGDIISMXPOE-CYBMUJFWSA-N 1 1 266.297 1.694 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000175201899 364644421 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293.323 1.234 20 5 CDBDMO CC[N@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000348304339 367050384 /nfs/dbraw/zinc/05/03/84/367050384.db2.gz HDIQEAZGLRWZPG-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO CC[N@@H+](CCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000348304339 367050389 /nfs/dbraw/zinc/05/03/89/367050389.db2.gz HDIQEAZGLRWZPG-UHFFFAOYSA-N 1 1 256.277 1.938 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272450263 367736758 /nfs/dbraw/zinc/73/67/58/367736758.db2.gz JMQNUKPYZZLXNT-ONGXEEELSA-N 1 1 295.364 1.823 20 5 CDBDMO CCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027342876 368139032 /nfs/dbraw/zinc/13/90/32/368139032.db2.gz BVSOIMXAGZQAJW-UHFFFAOYSA-N 1 1 265.313 1.926 20 5 CDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCC1 ZINC000301196056 368344409 /nfs/dbraw/zinc/34/44/09/368344409.db2.gz NMCBGKQIGXFPFQ-UHFFFAOYSA-N 1 1 280.332 1.253 20 5 CDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330660766 203089829 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CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796645 204174176 /nfs/dbraw/zinc/17/41/76/204174176.db2.gz QYYLDDQTWKNVBA-VXGBXAGGSA-N 1 1 296.371 1.964 20 5 CDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000331796645 204174178 /nfs/dbraw/zinc/17/41/78/204174178.db2.gz QYYLDDQTWKNVBA-VXGBXAGGSA-N 1 1 296.371 1.964 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347099045 373755117 /nfs/dbraw/zinc/75/51/17/373755117.db2.gz JDCZQDJXYVXTNO-ZYHUDNBSSA-N 1 1 278.308 1.978 20 5 CDBDMO C[N@@H+](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420580019 374298400 /nfs/dbraw/zinc/29/84/00/374298400.db2.gz DGLBCZFKBGAWPN-UHFFFAOYSA-N 1 1 278.312 1.200 20 5 CDBDMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000370386601 374392044 /nfs/dbraw/zinc/39/20/44/374392044.db2.gz IVCABRLYLDITEP-QWHCGFSZSA-N 1 1 294.351 1.646 20 5 CDBDMO C[C@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527561 374389044 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O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CO)C1 ZINC000092763346 374702327 /nfs/dbraw/zinc/70/23/27/374702327.db2.gz NHGOUUOXSARHRP-OGOUPESXSA-N 1 1 262.309 1.922 20 5 CDBDMO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393074 374785513 /nfs/dbraw/zinc/78/55/13/374785513.db2.gz GLTPHEREIXOSBO-GFCCVEGCSA-N 1 1 294.355 1.903 20 5 CDBDMO Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278279557 374836978 /nfs/dbraw/zinc/83/69/78/374836978.db2.gz BPOAHGOZKQDHSY-PHIMTYICSA-N 1 1 262.313 1.296 20 5 CDBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331289419 374921261 /nfs/dbraw/zinc/92/12/61/374921261.db2.gz NYHBPEZXYBPZKS-MDZLAQPJSA-N 1 1 282.344 1.273 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000162584989 375387064 /nfs/dbraw/zinc/38/70/64/375387064.db2.gz BADHVQMNVHYVRH-UHFFFAOYSA-N 1 1 277.202 1.058 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441195658 375707536 /nfs/dbraw/zinc/70/75/36/375707536.db2.gz JDKTVVXSARVPMV-NWDGAFQWSA-N 1 1 294.355 1.577 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000357415009 375906937 /nfs/dbraw/zinc/90/69/37/375906937.db2.gz NIBCPGSBRBLTKW-BDAKNGLRSA-N 1 1 266.301 1.135 20 5 CDBDMO C[C@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000249005406 376117439 /nfs/dbraw/zinc/11/74/39/376117439.db2.gz ZJRBNPCTAYTSRZ-NEPJUHHUSA-N 1 1 298.339 1.037 20 5 CDBDMO CCc1nn(C)c(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487046242 376587778 /nfs/dbraw/zinc/58/77/78/376587778.db2.gz MYKMAKCONDATOH-LBPRGKRZSA-N 1 1 295.387 1.667 20 5 CDBDMO Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000296667987 376690870 /nfs/dbraw/zinc/69/08/70/376690870.db2.gz ZAWOXUSHDWDIAZ-QWRGUYRKSA-N 1 1 277.328 1.732 20 5 CDBDMO COC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172889776 377785581 /nfs/dbraw/zinc/78/55/81/377785581.db2.gz POVXFIJIENIXHT-AWEZNQCLSA-N 1 1 280.324 1.485 20 5 CDBDMO COC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172889776 377785589 /nfs/dbraw/zinc/78/55/89/377785589.db2.gz POVXFIJIENIXHT-AWEZNQCLSA-N 1 1 280.324 1.485 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345308465 377906344 /nfs/dbraw/zinc/90/63/44/377906344.db2.gz XMDKPQXOXFKPSQ-GXSJLCMTSA-N 1 1 292.339 1.390 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444353625 250127564 /nfs/dbraw/zinc/12/75/64/250127564.db2.gz UHHIRKMRNLHDKI-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444353625 250127569 /nfs/dbraw/zinc/12/75/69/250127569.db2.gz UHHIRKMRNLHDKI-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444353625 250127573 /nfs/dbraw/zinc/12/75/73/250127573.db2.gz UHHIRKMRNLHDKI-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444353625 250127576 /nfs/dbraw/zinc/12/75/76/250127576.db2.gz UHHIRKMRNLHDKI-RKDXNWHRSA-N 1 1 295.343 1.045 20 5 CDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000279163059 194313010 /nfs/dbraw/zinc/31/30/10/194313010.db2.gz BPPGOISVDFZDFI-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCSCC1 ZINC000288980702 197205359 /nfs/dbraw/zinc/20/53/59/197205359.db2.gz VECJLBTXPQMXLG-UHFFFAOYSA-N 1 1 299.400 1.580 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243050 195164411 /nfs/dbraw/zinc/16/44/11/195164411.db2.gz UQGKSCUXHITTGX-CQSZACIVSA-N 1 1 277.324 1.553 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)nn1C ZINC000417913636 533222760 /nfs/dbraw/zinc/22/27/60/533222760.db2.gz QWJNHEQTYCLMCQ-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451425443 390619447 /nfs/dbraw/zinc/61/94/47/390619447.db2.gz UEBQIIFQGOTRLG-MJBXVCDLSA-N 1 1 294.355 1.417 20 5 CDBDMO CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550918 390632505 /nfs/dbraw/zinc/63/25/05/390632505.db2.gz XGABTLUODIIEIF-YPMHNXCESA-N 1 1 282.344 1.538 20 5 CDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451156600 390602313 /nfs/dbraw/zinc/60/23/13/390602313.db2.gz SIMXTWGYAPRKOJ-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451156600 390602317 /nfs/dbraw/zinc/60/23/17/390602317.db2.gz SIMXTWGYAPRKOJ-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477886 390799519 /nfs/dbraw/zinc/79/95/19/390799519.db2.gz IKZDDDVTHUIHPB-ZJUUUORDSA-N 1 1 281.360 1.785 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000458191271 391114516 /nfs/dbraw/zinc/11/45/16/391114516.db2.gz OBQQBFOOEIKQAH-JTQLQIEISA-N 1 1 281.312 1.650 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC1(C)C ZINC000489488196 391223411 /nfs/dbraw/zinc/22/34/11/391223411.db2.gz UEFXFQUXSKMKHX-NSHDSACASA-N 1 1 265.313 1.487 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067113 391230328 /nfs/dbraw/zinc/23/03/28/391230328.db2.gz AVYDIAQGSGRFCO-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408067113 391230330 /nfs/dbraw/zinc/23/03/30/391230330.db2.gz AVYDIAQGSGRFCO-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000265636977 391633432 /nfs/dbraw/zinc/63/34/32/391633432.db2.gz ICCVCGOMTBOCRB-CYBMUJFWSA-N 1 1 293.323 1.136 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000265636977 391633438 /nfs/dbraw/zinc/63/34/38/391633438.db2.gz ICCVCGOMTBOCRB-CYBMUJFWSA-N 1 1 293.323 1.136 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192640044 391725242 /nfs/dbraw/zinc/72/52/42/391725242.db2.gz IUMFINHKPCDRFU-NEPJUHHUSA-N 1 1 293.371 1.793 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000189733738 130018612 /nfs/dbraw/zinc/01/86/12/130018612.db2.gz IDGYCVGYPGMFQT-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO CC[C@@]1(C)COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341764713 130028949 /nfs/dbraw/zinc/02/89/49/130028949.db2.gz SNUUONWKPIIYMD-AWEZNQCLSA-N 1 1 295.339 1.257 20 5 CDBDMO CC[C@@]1(C)COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341764713 130028951 /nfs/dbraw/zinc/02/89/51/130028951.db2.gz SNUUONWKPIIYMD-AWEZNQCLSA-N 1 1 295.339 1.257 20 5 CDBDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304284000 130063254 /nfs/dbraw/zinc/06/32/54/130063254.db2.gz FFUOBTHFXTWIBW-NTZNESFSSA-N 1 1 282.344 1.130 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000441384839 391793591 /nfs/dbraw/zinc/79/35/91/391793591.db2.gz QXKASIYAIHWGKL-PELKAZGASA-N 1 1 297.742 1.862 20 5 CDBDMO CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000487998537 391942581 /nfs/dbraw/zinc/94/25/81/391942581.db2.gz IJKZYEPBWXXVGJ-LBPRGKRZSA-N 1 1 281.360 1.063 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992843 392924069 /nfs/dbraw/zinc/92/40/69/392924069.db2.gz YPWHBDOWMNTYJS-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO CNCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423242849 392961066 /nfs/dbraw/zinc/96/10/66/392961066.db2.gz JKKNELRIMUIFHP-WDEREUQCSA-N 1 1 267.333 1.084 20 5 CDBDMO CO[C@H](C)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332674779 393156205 /nfs/dbraw/zinc/15/62/05/393156205.db2.gz CRSUCQDQQPKHGA-SNVBAGLBSA-N 1 1 250.298 1.988 20 5 CDBDMO [NH3+]CC(F)(F)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000236187833 140239234 /nfs/dbraw/zinc/23/92/34/140239234.db2.gz WPRXVRFGWRJROE-UHFFFAOYSA-N 1 1 266.635 1.649 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC3(CCCCC3)C2)n1 ZINC000176266952 148032828 /nfs/dbraw/zinc/03/28/28/148032828.db2.gz DVOUMYOMZXHPRJ-UHFFFAOYSA-N 1 1 294.355 1.826 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC3(CCCCC3)C2)n1 ZINC000176266952 148032831 /nfs/dbraw/zinc/03/28/31/148032831.db2.gz DVOUMYOMZXHPRJ-UHFFFAOYSA-N 1 1 294.355 1.826 20 5 CDBDMO CCN(CC)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570136 155276887 /nfs/dbraw/zinc/27/68/87/155276887.db2.gz CRGOZKNVRLZFLZ-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO CCN(CC)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570136 155276888 /nfs/dbraw/zinc/27/68/88/155276888.db2.gz CRGOZKNVRLZFLZ-UHFFFAOYSA-N 1 1 293.367 1.938 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774068 152298114 /nfs/dbraw/zinc/29/81/14/152298114.db2.gz AZYSCJGDPXEACI-GFCCVEGCSA-N 1 1 279.340 1.610 20 5 CDBDMO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000346673008 153267337 /nfs/dbraw/zinc/26/73/37/153267337.db2.gz ZXYFANSXWPASRP-UHFFFAOYSA-N 1 1 268.660 1.192 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362480107 159157993 /nfs/dbraw/zinc/15/79/93/159157993.db2.gz QNPMPGLKWZVXHW-NSHDSACASA-N 1 1 294.355 1.347 20 5 CDBDMO CC(C)[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000016419522 170696754 /nfs/dbraw/zinc/69/67/54/170696754.db2.gz GOQXGZHDYXYJJC-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO CC(C)[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000016419522 170696755 /nfs/dbraw/zinc/69/67/55/170696755.db2.gz GOQXGZHDYXYJJC-UHFFFAOYSA-N 1 1 251.286 1.291 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)cnn1C ZINC000286254770 196543009 /nfs/dbraw/zinc/54/30/09/196543009.db2.gz ASJKFCILTUHGQD-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO COCC[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275533217 274031260 /nfs/dbraw/zinc/03/12/60/274031260.db2.gz YHYCBTPDGORKGS-UHFFFAOYSA-N 1 1 279.340 1.672 20 5 CDBDMO CC[N@@H+](CCOCCO)Cc1ccccc1[N+](=O)[O-] ZINC000336807806 276133562 /nfs/dbraw/zinc/13/35/62/276133562.db2.gz NEVVFHGPUVXONI-UHFFFAOYSA-N 1 1 268.313 1.426 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000077897913 279232659 /nfs/dbraw/zinc/23/26/59/279232659.db2.gz LWUVRWYTCSEYCB-UHFFFAOYSA-N 1 1 262.265 1.970 20 5 CDBDMO C[C@H](CO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248907459 280393349 /nfs/dbraw/zinc/39/33/49/280393349.db2.gz IGXFVMYHOGTDQG-NEPJUHHUSA-N 1 1 298.339 1.037 20 5 CDBDMO CC(C)n1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000542573688 289549936 /nfs/dbraw/zinc/54/99/36/289549936.db2.gz IKGJPORLVITHTK-JTQLQIEISA-N 1 1 292.343 1.957 20 5 CDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000568530952 294056032 /nfs/dbraw/zinc/05/60/32/294056032.db2.gz ZLZVCYQYWGPWBI-UHFFFAOYSA-N 1 1 267.329 1.877 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000570664792 294284300 /nfs/dbraw/zinc/28/43/00/294284300.db2.gz OWAWUDJTIKZBJN-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578771007 324021982 /nfs/dbraw/zinc/02/19/82/324021982.db2.gz AURFQKPIZQEMNU-RYUDHWBXSA-N 1 1 293.371 1.150 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000579796538 324280679 /nfs/dbraw/zinc/28/06/79/324280679.db2.gz WMRNSWFIZWVJEW-NXEZZACHSA-N 1 1 265.317 1.222 20 5 CDBDMO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000050770057 522591268 /nfs/dbraw/zinc/59/12/68/522591268.db2.gz WDZWAZGCTGBMAJ-SNVBAGLBSA-N 1 1 292.339 1.318 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000068806805 525570787 /nfs/dbraw/zinc/57/07/87/525570787.db2.gz OQOFTLMCDQZCOH-CYBMUJFWSA-N 1 1 278.356 1.561 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952353 526987958 /nfs/dbraw/zinc/98/79/58/526987958.db2.gz JCYGJAOPHJUPQB-OSMZGAPFSA-N 1 1 289.335 1.681 20 5 CDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000364952353 526987962 /nfs/dbraw/zinc/98/79/62/526987962.db2.gz JCYGJAOPHJUPQB-OSMZGAPFSA-N 1 1 289.335 1.681 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000177026971 527976731 /nfs/dbraw/zinc/97/67/31/527976731.db2.gz DBZKVLNMPVROEJ-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)C1 ZINC000729681898 574820404 /nfs/dbraw/zinc/82/04/04/574820404.db2.gz MNXAOQFWCWVTML-LBPRGKRZSA-N 1 1 279.340 1.787 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](C)C1 ZINC000729681898 574820406 /nfs/dbraw/zinc/82/04/06/574820406.db2.gz MNXAOQFWCWVTML-LBPRGKRZSA-N 1 1 279.340 1.787 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000767950665 576241852 /nfs/dbraw/zinc/24/18/52/576241852.db2.gz UCJRJAYVQAJXBT-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000767950665 576241854 /nfs/dbraw/zinc/24/18/54/576241854.db2.gz UCJRJAYVQAJXBT-SNVBAGLBSA-N 1 1 293.323 1.380 20 5 CDBDMO COCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761288144 576565772 /nfs/dbraw/zinc/56/57/72/576565772.db2.gz MBLWWTNFEAZXJN-UHFFFAOYSA-N 1 1 278.312 1.789 20 5 CDBDMO COCC[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761288144 576565773 /nfs/dbraw/zinc/56/57/73/576565773.db2.gz MBLWWTNFEAZXJN-UHFFFAOYSA-N 1 1 278.312 1.789 20 5 CDBDMO COCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764918407 575964311 /nfs/dbraw/zinc/96/43/11/575964311.db2.gz BRAGBGZAFXYQOW-UHFFFAOYSA-N 1 1 278.312 1.789 20 5 CDBDMO COCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764918407 575964315 /nfs/dbraw/zinc/96/43/15/575964315.db2.gz BRAGBGZAFXYQOW-UHFFFAOYSA-N 1 1 278.312 1.789 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000766614838 576116164 /nfs/dbraw/zinc/11/61/64/576116164.db2.gz XMTKIAOAFUPGIQ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000766614838 576116166 /nfs/dbraw/zinc/11/61/66/576116166.db2.gz XMTKIAOAFUPGIQ-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000749695226 576958391 /nfs/dbraw/zinc/95/83/91/576958391.db2.gz YSVAGRPIBPNONN-BXUZGUMPSA-N 1 1 279.340 1.264 20 5 CDBDMO CCC[N@@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891485278 617436684 /nfs/dbraw/zinc/43/66/84/617436684.db2.gz NOMLDBPAPAWDPR-UHFFFAOYSA-N 1 1 284.312 1.513 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000930609294 617469220 /nfs/dbraw/zinc/46/92/20/617469220.db2.gz DCXRHOGEXNGLOL-LLVKDONJSA-N 1 1 258.705 1.582 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000930609294 617469222 /nfs/dbraw/zinc/46/92/22/617469222.db2.gz DCXRHOGEXNGLOL-LLVKDONJSA-N 1 1 258.705 1.582 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893471908 617964727 /nfs/dbraw/zinc/96/47/27/617964727.db2.gz JDVBCURAYWNLEJ-ZJUUUORDSA-N 1 1 296.323 1.512 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892426503 618186537 /nfs/dbraw/zinc/18/65/37/618186537.db2.gz UGGJNIIQUCDWAY-UHFFFAOYSA-N 1 1 280.328 1.530 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000893933806 618193856 /nfs/dbraw/zinc/19/38/56/618193856.db2.gz CVAVWKJTXSUAPL-KCJUWKMLSA-N 1 1 282.731 1.784 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3COCO3)nc2c1 ZINC000894886982 619122469 /nfs/dbraw/zinc/12/24/69/619122469.db2.gz YIPHOQAOGGKHBZ-VIFPVBQESA-N 1 1 279.252 1.199 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245631 619487078 /nfs/dbraw/zinc/48/70/78/619487078.db2.gz HEHCUITYMJYJHD-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895245631 619487084 /nfs/dbraw/zinc/48/70/84/619487084.db2.gz HEHCUITYMJYJHD-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@H+](C)CCN1C ZINC000895247115 619493826 /nfs/dbraw/zinc/49/38/26/619493826.db2.gz SXJAIUKYWSRQNI-IUCAKERBSA-N 1 1 285.373 1.098 20 5 CDBDMO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895247115 619493830 /nfs/dbraw/zinc/49/38/30/619493830.db2.gz SXJAIUKYWSRQNI-IUCAKERBSA-N 1 1 285.373 1.098 20 5 CDBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000895315712 619545358 /nfs/dbraw/zinc/54/53/58/619545358.db2.gz DLWVNBLLQIYLHG-SECBINFHSA-N 1 1 269.326 1.271 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000895315973 619546337 /nfs/dbraw/zinc/54/63/37/619546337.db2.gz LFALYQYJOISJPA-NSHDSACASA-N 1 1 281.287 1.348 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899859635 622486651 /nfs/dbraw/zinc/48/66/51/622486651.db2.gz LOTXZXYTCUAEDT-LBPRGKRZSA-N 1 1 267.329 1.673 20 5 CDBDMO CC(=O)c1cc(O[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000311945476 1186693158 /nfs/dbraw/zinc/69/31/58/1186693158.db2.gz GYVZYGNKIMYQIS-LLVKDONJSA-N 1 1 264.281 1.880 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)[NH2+]C3CC3)n2)n1C ZINC000843221302 768897496 /nfs/dbraw/zinc/89/74/96/768897496.db2.gz HDRCHQIBWWGFIB-LURJTMIESA-N 1 1 292.299 1.500 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000776582936 769041436 /nfs/dbraw/zinc/04/14/36/769041436.db2.gz DKUJOACPYSNVED-CYBMUJFWSA-N 1 1 282.340 1.721 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1COCCO1 ZINC000852495609 769086247 /nfs/dbraw/zinc/08/62/47/769086247.db2.gz LKHHZEVDVACNOI-NSHDSACASA-N 1 1 284.287 1.581 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1COCCO1 ZINC000852495609 769086257 /nfs/dbraw/zinc/08/62/57/769086257.db2.gz LKHHZEVDVACNOI-NSHDSACASA-N 1 1 284.287 1.581 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796746 769569823 /nfs/dbraw/zinc/56/98/23/769569823.db2.gz ZDIASTVDWADNEZ-ZLDLUXBVSA-N 1 1 294.351 1.579 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000840190895 769728692 /nfs/dbraw/zinc/72/86/92/769728692.db2.gz YPNPCYZFSBEBGM-LLVKDONJSA-N 1 1 250.302 1.871 20 5 CDBDMO Cc1nn(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840152482 769821691 /nfs/dbraw/zinc/82/16/91/769821691.db2.gz NFYBIAHNKQLYOJ-CYBMUJFWSA-N 1 1 295.387 1.780 20 5 CDBDMO CC(=O)c1c(NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882662133 770004217 /nfs/dbraw/zinc/00/42/17/770004217.db2.gz BBPSCYJOOIDIBD-LLVKDONJSA-N 1 1 293.323 1.276 20 5 CDBDMO CC(=O)c1c(NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000882662133 770004232 /nfs/dbraw/zinc/00/42/32/770004232.db2.gz BBPSCYJOOIDIBD-LLVKDONJSA-N 1 1 293.323 1.276 20 5 CDBDMO Cc1nccc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000929297131 770439176 /nfs/dbraw/zinc/43/91/76/770439176.db2.gz UTIMWMSAPVLRJU-NSHDSACASA-N 1 1 250.302 1.241 20 5 CDBDMO Cc1nccc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000929297131 770439201 /nfs/dbraw/zinc/43/92/01/770439201.db2.gz UTIMWMSAPVLRJU-NSHDSACASA-N 1 1 250.302 1.241 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000886251531 770546063 /nfs/dbraw/zinc/54/60/63/770546063.db2.gz FQXYCSRVAMTTSL-LBPRGKRZSA-N 1 1 277.324 1.869 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000886251531 770546110 /nfs/dbraw/zinc/54/61/10/770546110.db2.gz FQXYCSRVAMTTSL-LBPRGKRZSA-N 1 1 277.324 1.869 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000702593997 771237415 /nfs/dbraw/zinc/23/74/15/771237415.db2.gz RYIQWTZPWKTVQU-CYBMUJFWSA-N 1 1 299.758 1.404 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000886559976 771807874 /nfs/dbraw/zinc/80/78/74/771807874.db2.gz KDQCPWJLEGGKGC-AOOOYVTPSA-N 1 1 268.342 1.086 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581085 771855142 /nfs/dbraw/zinc/85/51/42/771855142.db2.gz DYQMFUYMZAKVGN-GWCFXTLKSA-N 1 1 250.298 1.970 20 5 CDBDMO C[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000867945130 771950189 /nfs/dbraw/zinc/95/01/89/771950189.db2.gz RHROJTXXOBPBJT-JRPNMDOOSA-N 1 1 291.351 1.883 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880232564 772023119 /nfs/dbraw/zinc/02/31/19/772023119.db2.gz CKUHERJVGVUNQL-JTQLQIEISA-N 1 1 295.314 1.875 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000831533494 772071098 /nfs/dbraw/zinc/07/10/98/772071098.db2.gz IGRASKYJXWYSIA-KCPJHIHWSA-N 1 1 294.351 1.985 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884483262 772347420 /nfs/dbraw/zinc/34/74/20/772347420.db2.gz QLYAEUPUOMKKGJ-QWRGUYRKSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000884483262 772347425 /nfs/dbraw/zinc/34/74/25/772347425.db2.gz QLYAEUPUOMKKGJ-QWRGUYRKSA-N 1 1 266.301 1.250 20 5 CDBDMO O=C1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCCN1 ZINC000865499559 772563006 /nfs/dbraw/zinc/56/30/06/772563006.db2.gz KGIMARGYMZHTSA-UHFFFAOYSA-N 1 1 286.291 1.469 20 5 CDBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147002 772699802 /nfs/dbraw/zinc/69/98/02/772699802.db2.gz HLENJUXFHFEODW-FZMZJTMJSA-N 1 1 279.340 1.973 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000923300832 772885421 /nfs/dbraw/zinc/88/54/21/772885421.db2.gz BAIUELZVWAQYMX-VHSXEESVSA-N 1 1 278.312 1.232 20 5 CDBDMO COCC1(C)CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779868479 773058224 /nfs/dbraw/zinc/05/82/24/773058224.db2.gz STZHGCBHQKUHGZ-UHFFFAOYSA-N 1 1 282.344 1.806 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000878498915 773497694 /nfs/dbraw/zinc/49/76/94/773497694.db2.gz RXSNYANALAVGHQ-TZMCWYRMSA-N 1 1 280.324 1.078 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000878498915 773497701 /nfs/dbraw/zinc/49/77/01/773497701.db2.gz RXSNYANALAVGHQ-TZMCWYRMSA-N 1 1 280.324 1.078 20 5 CDBDMO O=[N+]([O-])c1ccccc1OCCN1CCn2cc[nH+]c21 ZINC000931527266 773649012 /nfs/dbraw/zinc/64/90/12/773649012.db2.gz MOEBFLPTVFJYEY-UHFFFAOYSA-N 1 1 274.280 1.690 20 5 CDBDMO CC[N@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000800861552 773716566 /nfs/dbraw/zinc/71/65/66/773716566.db2.gz SVPICLRSNHSJPT-JTQLQIEISA-N 1 1 264.329 1.707 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234875132 913862861 /nfs/dbraw/zinc/86/28/61/913862861.db2.gz BZMCERNCFJFFKF-VIFPVBQESA-N 1 1 267.285 1.471 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976331 927562808 /nfs/dbraw/zinc/56/28/08/927562808.db2.gz CUBVCLZXQSELHT-VWYCJHECSA-N 1 1 256.302 1.069 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cnccc3C2)C1 ZINC001169008683 927614971 /nfs/dbraw/zinc/61/49/71/927614971.db2.gz TVYNVJXTWSAHLL-FZMZJTMJSA-N 1 1 261.325 1.885 20 5 CDBDMO CC[N@@H+](CCC(=O)OC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047039 927665733 /nfs/dbraw/zinc/66/57/33/927665733.db2.gz QEPUSMLXMARTKI-QWRGUYRKSA-N 1 1 258.318 1.317 20 5 CDBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169051285 927669849 /nfs/dbraw/zinc/66/98/49/927669849.db2.gz CRWKRDRHJJTBMR-SRVKXCTJSA-N 1 1 269.345 1.032 20 5 CDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156590574 928793759 /nfs/dbraw/zinc/79/37/59/928793759.db2.gz NASQKIGPOQZKKA-LBPRGKRZSA-N 1 1 295.314 1.804 20 5 CDBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001120488455 937802685 /nfs/dbraw/zinc/80/26/85/937802685.db2.gz BLHNWOZNLFEMOY-FZMZJTMJSA-N 1 1 281.356 1.416 20 5 CDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)n1 ZINC001156624467 938396596 /nfs/dbraw/zinc/39/65/96/938396596.db2.gz PHTXOLMCJHGAGP-UHFFFAOYSA-N 1 1 294.702 1.075 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC001160154065 938772260 /nfs/dbraw/zinc/77/22/60/938772260.db2.gz VSSAXLCZASDVLS-VIFPVBQESA-N 1 1 283.353 1.823 20 5 CDBDMO O=[N+]([O-])c1cccc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160726549 938820564 /nfs/dbraw/zinc/82/05/64/938820564.db2.gz ZNGCUMINLZGCOB-NEPJUHHUSA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@@H+]1CCO[C@@H](CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001162680055 939114274 /nfs/dbraw/zinc/11/42/74/939114274.db2.gz DGCRDARCIBCSDP-VIFPVBQESA-N 1 1 291.311 1.214 20 5 CDBDMO C[N@H+]1CCO[C@@H](CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001162680055 939114276 /nfs/dbraw/zinc/11/42/76/939114276.db2.gz DGCRDARCIBCSDP-VIFPVBQESA-N 1 1 291.311 1.214 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(O)cccc2[N+](=O)[O-])C1 ZINC001226340362 941990800 /nfs/dbraw/zinc/99/08/00/941990800.db2.gz OBAVUCJKOIIOQA-SNVBAGLBSA-N 1 1 282.296 1.400 20 5 CDBDMO CC[N@@H+]1CCC[C@@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231264202 942839623 /nfs/dbraw/zinc/83/96/23/942839623.db2.gz OTYYUGCADNVRQW-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO CC[N@H+]1CCC[C@@H](Oc2nc(C)cc(O)c2[N+](=O)[O-])C1 ZINC001231264202 942839628 /nfs/dbraw/zinc/83/96/28/942839628.db2.gz OTYYUGCADNVRQW-SNVBAGLBSA-N 1 1 281.312 1.867 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H](O)C1)C2 ZINC001254595757 947545489 /nfs/dbraw/zinc/54/54/89/947545489.db2.gz ZKEXVTWRYYJOOB-LSDHHAIUSA-N 1 1 276.336 1.909 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](CO)C1)C2 ZINC001254597884 947547474 /nfs/dbraw/zinc/54/74/74/947547474.db2.gz IRNCDBHGFAWPHX-IAQYHMDHSA-N 1 1 276.336 1.766 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(C3CC3)CC1)C2 ZINC001254601030 947550861 /nfs/dbraw/zinc/55/08/61/947550861.db2.gz XJYAFHODSLWBIQ-MRXNPFEDSA-N 1 1 287.363 1.842 20 5 CDBDMO C[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602783 947552490 /nfs/dbraw/zinc/55/24/90/947552490.db2.gz ITJIBCHPCNAARM-KKUMJFAQSA-N 1 1 273.336 1.450 20 5 CDBDMO CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602783 947552496 /nfs/dbraw/zinc/55/24/96/947552496.db2.gz ITJIBCHPCNAARM-KKUMJFAQSA-N 1 1 273.336 1.450 20 5 CDBDMO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602783 947552500 /nfs/dbraw/zinc/55/25/00/947552500.db2.gz ITJIBCHPCNAARM-KKUMJFAQSA-N 1 1 273.336 1.450 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCNC[C@@H]1F)C2 ZINC001246093659 947945295 /nfs/dbraw/zinc/94/52/95/947945295.db2.gz VINVEBSBAAIBTI-UBHSHLNASA-N 1 1 279.315 1.352 20 5 CDBDMO N[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568764 948290042 /nfs/dbraw/zinc/29/00/42/948290042.db2.gz AYWFSTOODOXAEO-SOUVJXGZSA-N 1 1 293.342 1.823 20 5 CDBDMO [NH3+][C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1F ZINC001246568764 948290049 /nfs/dbraw/zinc/29/00/49/948290049.db2.gz AYWFSTOODOXAEO-SOUVJXGZSA-N 1 1 293.342 1.823 20 5 CDBDMO C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568273 948290504 /nfs/dbraw/zinc/29/05/04/948290504.db2.gz MSMKVHCPTGLJOA-YVECIDJPSA-N 1 1 255.362 1.491 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH3+])N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246568273 948290509 /nfs/dbraw/zinc/29/05/09/948290509.db2.gz MSMKVHCPTGLJOA-YVECIDJPSA-N 1 1 255.362 1.491 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC001350490456 966679055 /nfs/dbraw/zinc/67/90/55/966679055.db2.gz JJQYYYJFMSLZSJ-JTQLQIEISA-N 1 1 279.344 1.614 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000124379678 187134959 /nfs/dbraw/zinc/13/49/59/187134959.db2.gz HBLAPHNTARKRIQ-AWEZNQCLSA-N 1 1 280.324 1.950 20 5 CDBDMO CC1(C)CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000588026921 342491399 /nfs/dbraw/zinc/49/13/99/342491399.db2.gz YSOGGESBZMEVGZ-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO CC1(C)CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000588026921 342491400 /nfs/dbraw/zinc/49/14/00/342491400.db2.gz YSOGGESBZMEVGZ-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO CN(C(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000601232233 342537482 /nfs/dbraw/zinc/53/74/82/342537482.db2.gz ORSBGHSSUJMPHK-SNVBAGLBSA-N 1 1 295.314 1.900 20 5 CDBDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000533479386 282125105 /nfs/dbraw/zinc/12/51/05/282125105.db2.gz ZGNHGIQQAPGQOK-UHFFFAOYSA-N 1 1 295.339 1.551 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147233 342618527 /nfs/dbraw/zinc/61/85/27/342618527.db2.gz YMGLWJCJJOWABL-SNVBAGLBSA-N 1 1 282.319 1.907 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CCC(C)([NH3+])CC2)c1[N+](=O)[O-] ZINC000592328438 342685308 /nfs/dbraw/zinc/68/53/08/342685308.db2.gz HHSXUSJWLKTTHX-UHFFFAOYSA-N 1 1 295.343 1.224 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000593060864 342761104 /nfs/dbraw/zinc/76/11/04/342761104.db2.gz DSYTYBJVXBUAOC-DGCLKSJQSA-N 1 1 295.339 1.256 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CO1 ZINC000593060864 342761105 /nfs/dbraw/zinc/76/11/05/342761105.db2.gz DSYTYBJVXBUAOC-DGCLKSJQSA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108803 342769360 /nfs/dbraw/zinc/76/93/60/342769360.db2.gz CMQOSDPQERMYDK-WCQYABFASA-N 1 1 298.339 1.037 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN(C)C ZINC000595047532 342999301 /nfs/dbraw/zinc/99/93/01/342999301.db2.gz GLUSYRGRPYUMJP-SNVBAGLBSA-N 1 1 267.329 1.816 20 5 CDBDMO Cc1noc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595408722 343050672 /nfs/dbraw/zinc/05/06/72/343050672.db2.gz SDTSNUZKQUXVRZ-IUCAKERBSA-N 1 1 268.317 1.416 20 5 CDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472966 343073385 /nfs/dbraw/zinc/07/33/85/343073385.db2.gz RATYSKHQZKAKFK-UFBFGSQYSA-N 1 1 281.287 1.348 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076270020 342320356 /nfs/dbraw/zinc/32/03/56/342320356.db2.gz DJZWFGXLHRWFIR-MRVPVSSYSA-N 1 1 268.321 1.109 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595523312 343088969 /nfs/dbraw/zinc/08/89/69/343088969.db2.gz RBRYMANVLPDQSV-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595523312 343088971 /nfs/dbraw/zinc/08/89/71/343088971.db2.gz RBRYMANVLPDQSV-SKDRFNHKSA-N 1 1 268.288 1.937 20 5 CDBDMO Cc1noc(C[N@@H+]2CCCCC[C@H]2CO)c1[N+](=O)[O-] ZINC000595563355 343099149 /nfs/dbraw/zinc/09/91/49/343099149.db2.gz ZIWMXGBXCFZNAJ-JTQLQIEISA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+]2CCCCC[C@H]2CO)c1[N+](=O)[O-] ZINC000595563355 343099150 /nfs/dbraw/zinc/09/91/50/343099150.db2.gz ZIWMXGBXCFZNAJ-JTQLQIEISA-N 1 1 269.301 1.628 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876231 343178137 /nfs/dbraw/zinc/17/81/37/343178137.db2.gz RCFAWCDEWVPLTR-SWLSCSKDSA-N 1 1 294.351 1.924 20 5 CDBDMO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000596116161 343231951 /nfs/dbraw/zinc/23/19/51/343231951.db2.gz ZALWARPBSCTKLB-NXEZZACHSA-N 1 1 296.327 1.217 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977174 342446606 /nfs/dbraw/zinc/44/66/06/342446606.db2.gz GXKKUZKKAFQAKT-QWRGUYRKSA-N 1 1 277.324 1.853 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645360 343855787 /nfs/dbraw/zinc/85/57/87/343855787.db2.gz HVSCVSQZSSQVSA-OLZOCXBDSA-N 1 1 294.351 1.924 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000602795303 344586724 /nfs/dbraw/zinc/58/67/24/344586724.db2.gz AIBMAMAPOXRDCQ-GHMZBOCLSA-N 1 1 281.360 1.124 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832532 344614546 /nfs/dbraw/zinc/61/45/46/344614546.db2.gz OZJPJAKQAVRAFZ-LBPRGKRZSA-N 1 1 281.360 1.126 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000602817864 344608397 /nfs/dbraw/zinc/60/83/97/344608397.db2.gz VCFDMRMOPHZPFA-DMDPSCGWSA-N 1 1 296.371 1.581 20 5 CDBDMO Cc1c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907214 344644437 /nfs/dbraw/zinc/64/44/37/344644437.db2.gz LIWAEOXVWWBBSS-GXTWGEPZSA-N 1 1 280.324 1.221 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293158445 362533875 /nfs/dbraw/zinc/53/38/75/362533875.db2.gz OOFHBFWOQPOWQH-LBPRGKRZSA-N 1 1 250.298 1.942 20 5 CDBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293477462 362562067 /nfs/dbraw/zinc/56/20/67/362562067.db2.gz RONHFJNYCBTNMQ-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccsc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686165 345999396 /nfs/dbraw/zinc/99/93/96/345999396.db2.gz ABFZMCJGEDKYBY-DTORHVGOSA-N 1 1 253.327 1.654 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000609894843 346037008 /nfs/dbraw/zinc/03/70/08/346037008.db2.gz FDWZWISWZXPQPO-GFCCVEGCSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610900734 346484433 /nfs/dbraw/zinc/48/44/33/346484433.db2.gz JTBMKAGHTMQMRT-WCBMZHEXSA-N 1 1 299.352 1.105 20 5 CDBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900734 346484436 /nfs/dbraw/zinc/48/44/36/346484436.db2.gz JTBMKAGHTMQMRT-WCBMZHEXSA-N 1 1 299.352 1.105 20 5 CDBDMO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O ZINC000611498514 346804347 /nfs/dbraw/zinc/80/43/47/346804347.db2.gz VBNOAFIUDLIDDV-MRVPVSSYSA-N 1 1 290.316 1.257 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421753 192144876 /nfs/dbraw/zinc/14/48/76/192144876.db2.gz YZZYWZGGBYALFB-XQQFMLRXSA-N 1 1 294.351 1.922 20 5 CDBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550309 180003132 /nfs/dbraw/zinc/00/31/32/180003132.db2.gz KSMOQEAWNFKKAS-NWDGAFQWSA-N 1 1 279.340 1.877 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000109626584 186268693 /nfs/dbraw/zinc/26/86/93/186268693.db2.gz BQFPKHBYJUJPEG-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000312781127 350792355 /nfs/dbraw/zinc/79/23/55/350792355.db2.gz FWBNOEITDNEYHG-ZYHUDNBSSA-N 1 1 282.344 1.335 20 5 CDBDMO CCC[C@@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000152588336 188030587 /nfs/dbraw/zinc/03/05/87/188030587.db2.gz JWLBHZRDBUFEOT-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000152588336 188030588 /nfs/dbraw/zinc/03/05/88/188030588.db2.gz JWLBHZRDBUFEOT-CQSZACIVSA-N 1 1 291.351 1.738 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157330868 188311133 /nfs/dbraw/zinc/31/11/33/188311133.db2.gz FBALIORKLLLJDN-UHFFFAOYSA-N 1 1 292.339 1.345 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579929 188383592 /nfs/dbraw/zinc/38/35/92/188383592.db2.gz FWKBYPICWIHKAG-YPMLDQLKSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000158579929 188383594 /nfs/dbraw/zinc/38/35/94/188383594.db2.gz FWKBYPICWIHKAG-YPMLDQLKSA-N 1 1 270.354 1.794 20 5 CDBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291710 363396587 /nfs/dbraw/zinc/39/65/87/363396587.db2.gz FFQOTLMDIJZVBX-IUODEOHRSA-N 1 1 292.335 1.975 20 5 CDBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280291710 363396591 /nfs/dbraw/zinc/39/65/91/363396591.db2.gz FFQOTLMDIJZVBX-IUODEOHRSA-N 1 1 292.335 1.975 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000290784424 358494485 /nfs/dbraw/zinc/49/44/85/358494485.db2.gz NJNBTFCEJBHHDI-CYBMUJFWSA-N 1 1 280.324 1.737 20 5 CDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351123 283089021 /nfs/dbraw/zinc/08/90/21/283089021.db2.gz ZKABTWMZWZDMIN-GJZGRUSLSA-N 1 1 291.351 1.500 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000227193930 356414617 /nfs/dbraw/zinc/41/46/17/356414617.db2.gz IDGYCVGYPGMFQT-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1c(C[N@@H+](CC(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000048559010 357190452 /nfs/dbraw/zinc/19/04/52/357190452.db2.gz AJRVSVXVPSJPSP-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO Cc1c(C[N@H+](CC(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000048559010 357190456 /nfs/dbraw/zinc/19/04/56/357190456.db2.gz AJRVSVXVPSJPSP-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000290581474 357224723 /nfs/dbraw/zinc/22/47/23/357224723.db2.gz LPOLERGZQAMJFR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290581474 357224726 /nfs/dbraw/zinc/22/47/26/357224726.db2.gz LPOLERGZQAMJFR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290581474 357224729 /nfs/dbraw/zinc/22/47/29/357224729.db2.gz LPOLERGZQAMJFR-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO COCCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181577659 357362548 /nfs/dbraw/zinc/36/25/48/357362548.db2.gz NPAGAVPEYLSRDT-LBPRGKRZSA-N 1 1 298.339 1.303 20 5 CDBDMO COCC1=CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000185835723 357582876 /nfs/dbraw/zinc/58/28/76/357582876.db2.gz VHOYMYBQRRIXDE-UHFFFAOYSA-N 1 1 266.301 1.070 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000187669454 357792170 /nfs/dbraw/zinc/79/21/70/357792170.db2.gz XLDZJAWGQMPJIW-CDBNLRSOSA-N 1 1 278.308 1.036 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052940 357795210 /nfs/dbraw/zinc/79/52/10/357795210.db2.gz WKZNRLXJZHZZSS-ZWNOBZJWSA-N 1 1 292.339 1.479 20 5 CDBDMO CN(C)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476198 357821404 /nfs/dbraw/zinc/82/14/04/357821404.db2.gz UMPXVMYAOGAFKA-MFKMUULPSA-N 1 1 279.340 1.094 20 5 CDBDMO O=[N+]([O-])c1cccnc1NCC[N@@H+]1CCCOCC1 ZINC000188491669 357903842 /nfs/dbraw/zinc/90/38/42/357903842.db2.gz IHEYUHMJROKDDW-UHFFFAOYSA-N 1 1 266.301 1.124 20 5 CDBDMO O=[N+]([O-])c1cccnc1NCC[N@H+]1CCCOCC1 ZINC000188491669 357903846 /nfs/dbraw/zinc/90/38/46/357903846.db2.gz IHEYUHMJROKDDW-UHFFFAOYSA-N 1 1 266.301 1.124 20 5 CDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)O ZINC000267145420 358845808 /nfs/dbraw/zinc/84/58/08/358845808.db2.gz ASLUEKQPGIQDLN-UHFFFAOYSA-N 1 1 270.333 1.274 20 5 CDBDMO C[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342217282 358967025 /nfs/dbraw/zinc/96/70/25/358967025.db2.gz QPDHZHLYMRWIEF-SECBINFHSA-N 1 1 255.293 1.774 20 5 CDBDMO Cc1nc(N2CC[N@@H+](C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450478830 358920491 /nfs/dbraw/zinc/92/04/91/358920491.db2.gz JLEDDUKBAZQURF-LBPRGKRZSA-N 1 1 279.344 1.470 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000104194747 358951433 /nfs/dbraw/zinc/95/14/33/358951433.db2.gz IAFAFZLAAJNCQA-NSHDSACASA-N 1 1 252.270 1.040 20 5 CDBDMO O=[N+]([O-])c1cccnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450793450 359006391 /nfs/dbraw/zinc/00/63/91/359006391.db2.gz PLSFOHYVLUAZNB-PHIMTYICSA-N 1 1 278.312 1.265 20 5 CDBDMO CN(C)C(=O)NCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062085 359283515 /nfs/dbraw/zinc/28/35/15/359283515.db2.gz WAFKBXQRARHMGK-UHFFFAOYSA-N 1 1 296.327 1.003 20 5 CDBDMO CC(=O)c1cc(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000228257043 359645085 /nfs/dbraw/zinc/64/50/85/359645085.db2.gz BJKUHTXNKOQGIN-UHFFFAOYSA-N 1 1 277.324 1.939 20 5 CDBDMO C[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297813529 200285534 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CDBDMO CO[C@]1(C)CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330982227 374876766 /nfs/dbraw/zinc/87/67/66/374876766.db2.gz JWYLAHZOYKMBFZ-GFCCVEGCSA-N 1 1 268.317 1.329 20 5 CDBDMO CC1=C(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000280516321 375001240 /nfs/dbraw/zinc/00/12/40/375001240.db2.gz DLQFUISMPVYEQT-UHFFFAOYSA-N 1 1 250.302 1.833 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000299316661 375163259 /nfs/dbraw/zinc/16/32/59/375163259.db2.gz FAELQXYCZKMIKL-SNVBAGLBSA-N 1 1 278.312 1.233 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000299316661 375163263 /nfs/dbraw/zinc/16/32/63/375163263.db2.gz FAELQXYCZKMIKL-SNVBAGLBSA-N 1 1 278.312 1.233 20 5 CDBDMO COCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236898 375420281 /nfs/dbraw/zinc/42/02/81/375420281.db2.gz GVAPSZXSHOVKHG-UHFFFAOYSA-N 1 1 281.312 1.502 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000049480202 375447446 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O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000267078341 376992727 /nfs/dbraw/zinc/99/27/27/376992727.db2.gz XHSZXVBQXCRZHX-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000267078341 376992736 /nfs/dbraw/zinc/99/27/36/376992736.db2.gz XHSZXVBQXCRZHX-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO C[C@@H]1c2cccn2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000172717095 377715855 /nfs/dbraw/zinc/71/58/55/377715855.db2.gz YKMXPFUSYMYJBM-LLVKDONJSA-N 1 1 275.312 1.670 20 5 CDBDMO C[C@@H]1c2cccn2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000172717095 377715863 /nfs/dbraw/zinc/71/58/63/377715863.db2.gz YKMXPFUSYMYJBM-LLVKDONJSA-N 1 1 275.312 1.670 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000267022190 379385648 /nfs/dbraw/zinc/38/56/48/379385648.db2.gz KPLZBNDXOKDLTP-LLVKDONJSA-N 1 1 280.324 1.808 20 5 CDBDMO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450600923 251362148 /nfs/dbraw/zinc/36/21/48/251362148.db2.gz XDPHADFNFMZHDU-GFCCVEGCSA-N 1 1 279.340 1.854 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491637263 253093609 /nfs/dbraw/zinc/09/36/09/253093609.db2.gz IHEOUHDHUUQTLD-CFHLNLSMSA-N 1 1 289.335 1.676 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)CCN(C)C)n1 ZINC000288686955 197145487 /nfs/dbraw/zinc/14/54/87/197145487.db2.gz BBPJZCHYMLQDCZ-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NCCCN(C)CC[NH+](C)C)n1 ZINC000288686955 197145489 /nfs/dbraw/zinc/14/54/89/197145489.db2.gz BBPJZCHYMLQDCZ-UHFFFAOYSA-N 1 1 295.387 1.594 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451192310 390604771 /nfs/dbraw/zinc/60/47/71/390604771.db2.gz SLDCTNVCLPCLLT-ZYHUDNBSSA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000451192310 390604774 /nfs/dbraw/zinc/60/47/74/390604774.db2.gz SLDCTNVCLPCLLT-ZYHUDNBSSA-N 1 1 284.287 1.378 20 5 CDBDMO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451287652 390609540 /nfs/dbraw/zinc/60/95/40/390609540.db2.gz RSYKLCNBDFLLQP-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1COC1 ZINC000451287652 390609544 /nfs/dbraw/zinc/60/95/44/390609544.db2.gz RSYKLCNBDFLLQP-UHFFFAOYSA-N 1 1 266.297 1.694 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000227920480 391288570 /nfs/dbraw/zinc/28/85/70/391288570.db2.gz AAVBVQTZXVPEQR-VIFPVBQESA-N 1 1 255.322 1.471 20 5 CDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237462522 131033487 /nfs/dbraw/zinc/03/34/87/131033487.db2.gz NKTPOLYIUUXNRP-JQWIXIFHSA-N 1 1 293.323 1.069 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264089621 131392805 /nfs/dbraw/zinc/39/28/05/131392805.db2.gz FRXCNWYZEKQSIU-UHFFFAOYSA-N 1 1 295.343 1.040 20 5 CDBDMO Cc1cc(N2CC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000122222794 392512230 /nfs/dbraw/zinc/51/22/30/392512230.db2.gz LFLLDZGGKUYEKT-JTQLQIEISA-N 1 1 272.308 1.989 20 5 CDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790027 392727901 /nfs/dbraw/zinc/72/79/01/392727901.db2.gz WCJIFOSCRSGLIR-RYUDHWBXSA-N 1 1 280.324 1.676 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422036132 392950459 /nfs/dbraw/zinc/95/04/59/392950459.db2.gz MSHCJFYASVEJMO-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC(C)[C@H]([NH3+])CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000430552247 393101258 /nfs/dbraw/zinc/10/12/58/393101258.db2.gz JPNIIJLSNIONON-LLVKDONJSA-N 1 1 269.349 1.097 20 5 CDBDMO CCn1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000530665886 393053302 /nfs/dbraw/zinc/05/33/02/393053302.db2.gz LYRWAWIGDSSTGI-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO CCn1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000530665886 393053306 /nfs/dbraw/zinc/05/33/06/393053306.db2.gz LYRWAWIGDSSTGI-UHFFFAOYSA-N 1 1 278.316 1.140 20 5 CDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000195527246 140159982 /nfs/dbraw/zinc/15/99/82/140159982.db2.gz QFFBHRPUMPBVRH-UHFFFAOYSA-N 1 1 265.313 1.924 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067511 397910698 /nfs/dbraw/zinc/91/06/98/397910698.db2.gz NSZXJZPRYKVGLL-PWSUYJOCSA-N 1 1 262.313 1.520 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000352407667 155167390 /nfs/dbraw/zinc/16/73/90/155167390.db2.gz RMRIBRCTWLNLTA-IUCAKERBSA-N 1 1 286.278 1.933 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000352407667 155167394 /nfs/dbraw/zinc/16/73/94/155167394.db2.gz RMRIBRCTWLNLTA-IUCAKERBSA-N 1 1 286.278 1.933 20 5 CDBDMO CC(C)N(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571488 155278319 /nfs/dbraw/zinc/27/83/19/155278319.db2.gz VLCCFIMUHXQCAJ-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO CC(C)N(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571488 155278321 /nfs/dbraw/zinc/27/83/21/155278321.db2.gz VLCCFIMUHXQCAJ-UHFFFAOYSA-N 1 1 293.367 1.936 20 5 CDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000343246222 152081789 /nfs/dbraw/zinc/08/17/89/152081789.db2.gz DMJZZRUKUWRNGW-UHFFFAOYSA-N 1 1 293.298 1.726 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604881 152240923 /nfs/dbraw/zinc/24/09/23/152240923.db2.gz NYINBAOQLJUXJO-GXSJLCMTSA-N 1 1 281.360 1.785 20 5 CDBDMO Cn1c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000346313531 153136343 /nfs/dbraw/zinc/13/63/43/153136343.db2.gz GIFMOQYMXRRURX-CQSZACIVSA-N 1 1 292.339 1.101 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000354004627 156218473 /nfs/dbraw/zinc/21/84/73/156218473.db2.gz BZWXXLYYUZVJOP-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)N(C)C ZINC000359792798 158379880 /nfs/dbraw/zinc/37/98/80/158379880.db2.gz AOYCGFXCKDFXRJ-QMMMGPOBSA-N 1 1 269.276 1.300 20 5 CDBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000374543210 160294871 /nfs/dbraw/zinc/29/48/71/160294871.db2.gz ZVESQRSCZIKSNW-GFCCVEGCSA-N 1 1 272.308 1.965 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550158 196323038 /nfs/dbraw/zinc/32/30/38/196323038.db2.gz GJKMUONQOMTPNW-AAEUAGOBSA-N 1 1 298.339 1.301 20 5 CDBDMO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000037267394 173077361 /nfs/dbraw/zinc/07/73/61/173077361.db2.gz NTOHWBZLVGGWOA-UHFFFAOYSA-N 1 1 279.340 1.787 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454467 174267240 /nfs/dbraw/zinc/26/72/40/174267240.db2.gz OHAIEPXEAVSOBX-SECBINFHSA-N 1 1 251.290 1.281 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685251 175231020 /nfs/dbraw/zinc/23/10/20/175231020.db2.gz FVAWSVFBTVLLOU-LBPRGKRZSA-N 1 1 261.325 1.921 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000044685251 175231021 /nfs/dbraw/zinc/23/10/21/175231021.db2.gz FVAWSVFBTVLLOU-LBPRGKRZSA-N 1 1 261.325 1.921 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000423496017 274231133 /nfs/dbraw/zinc/23/11/33/274231133.db2.gz VUSKVEXTIBPPNF-JSGCOSHPSA-N 1 1 293.367 1.494 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273233433 276074092 /nfs/dbraw/zinc/07/40/92/276074092.db2.gz XKNNWORMNUTRLW-JTQLQIEISA-N 1 1 265.317 1.163 20 5 CDBDMO CC[N@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604823 276165049 /nfs/dbraw/zinc/16/50/49/276165049.db2.gz SOHOGGOXTKGELN-UHFFFAOYSA-N 1 1 292.339 1.226 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192388 277186461 /nfs/dbraw/zinc/18/64/61/277186461.db2.gz GENSOUIFJJTGEH-ZDUSSCGKSA-N 1 1 262.313 1.522 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000368638077 279384739 /nfs/dbraw/zinc/38/47/39/279384739.db2.gz LVACOFWWZCBBDS-LBPRGKRZSA-N 1 1 294.355 1.577 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000368638077 279384741 /nfs/dbraw/zinc/38/47/41/279384741.db2.gz LVACOFWWZCBBDS-LBPRGKRZSA-N 1 1 294.355 1.577 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000522146963 281089911 /nfs/dbraw/zinc/08/99/11/281089911.db2.gz IAGOVCOTBWZWPI-LLVKDONJSA-N 1 1 292.339 1.075 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193269403 323528876 /nfs/dbraw/zinc/52/88/76/323528876.db2.gz UVPXKLPUYIIUGD-UHFFFAOYSA-N 1 1 286.291 1.689 20 5 CDBDMO CNC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579968689 324333155 /nfs/dbraw/zinc/33/31/55/324333155.db2.gz PWHCQRKQIOZXAE-UHFFFAOYSA-N 1 1 277.324 1.479 20 5 CDBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183962617 524298036 /nfs/dbraw/zinc/29/80/36/524298036.db2.gz MVXZLHJGVLSWEF-SNVBAGLBSA-N 1 1 295.368 1.983 20 5 CDBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161536711 527002184 /nfs/dbraw/zinc/00/21/84/527002184.db2.gz OPTMPXFSPMIZRQ-SNVBAGLBSA-N 1 1 262.313 1.947 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000314974892 535021146 /nfs/dbraw/zinc/02/11/46/535021146.db2.gz PZFNKNNXABVUKQ-VIFPVBQESA-N 1 1 295.343 1.031 20 5 CDBDMO O=C1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000726790195 574506120 /nfs/dbraw/zinc/50/61/20/574506120.db2.gz PLDMGCHKEBPYCI-UHFFFAOYSA-N 1 1 293.323 1.186 20 5 CDBDMO O=C1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000726790195 574506121 /nfs/dbraw/zinc/50/61/21/574506121.db2.gz PLDMGCHKEBPYCI-UHFFFAOYSA-N 1 1 293.323 1.186 20 5 CDBDMO C[C@@H]1[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000771463808 575581285 /nfs/dbraw/zinc/58/12/85/575581285.db2.gz ZKSZMMDTSCRQED-XUJVJEKNSA-N 1 1 293.367 1.653 20 5 CDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000773197327 575790109 /nfs/dbraw/zinc/79/01/09/575790109.db2.gz IKGDFELCNBPUCN-JTQLQIEISA-N 1 1 292.339 1.391 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000773197328 575790310 /nfs/dbraw/zinc/79/03/10/575790310.db2.gz IKGDFELCNBPUCN-SNVBAGLBSA-N 1 1 292.339 1.391 20 5 CDBDMO COC[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000739876184 576393120 /nfs/dbraw/zinc/39/31/20/576393120.db2.gz YISPLPCXIFETNN-NSHDSACASA-N 1 1 268.317 1.334 20 5 CDBDMO COC[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000739876184 576393122 /nfs/dbraw/zinc/39/31/22/576393122.db2.gz YISPLPCXIFETNN-NSHDSACASA-N 1 1 268.317 1.334 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238025 576591135 /nfs/dbraw/zinc/59/11/35/576591135.db2.gz BFDYPZYKUIKBEN-LLVKDONJSA-N 1 1 277.324 1.809 20 5 CDBDMO CC(C)=CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981138008 614291370 /nfs/dbraw/zinc/29/13/70/614291370.db2.gz KRGSPPTXBRZNQG-CHWSQXEVSA-N 1 1 281.356 1.152 20 5 CDBDMO CC(C)=CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138008 614291372 /nfs/dbraw/zinc/29/13/72/614291372.db2.gz KRGSPPTXBRZNQG-CHWSQXEVSA-N 1 1 281.356 1.152 20 5 CDBDMO CC(C)=CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981138008 614291373 /nfs/dbraw/zinc/29/13/73/614291373.db2.gz KRGSPPTXBRZNQG-CHWSQXEVSA-N 1 1 281.356 1.152 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]2CO)c1 ZINC000934024795 617846085 /nfs/dbraw/zinc/84/60/85/617846085.db2.gz AHPKYNFJRYHPLD-NSHDSACASA-N 1 1 252.270 1.040 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]1CO ZINC000934021502 617860609 /nfs/dbraw/zinc/86/06/09/617860609.db2.gz OHYWEGNWCNSOOG-LBPRGKRZSA-N 1 1 293.323 1.298 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000895247321 619494856 /nfs/dbraw/zinc/49/48/56/619494856.db2.gz IMWGPVJESGJHCW-JQWIXIFHSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247321 619494858 /nfs/dbraw/zinc/49/48/58/619494858.db2.gz IMWGPVJESGJHCW-JQWIXIFHSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247321 619494859 /nfs/dbraw/zinc/49/48/59/619494859.db2.gz IMWGPVJESGJHCW-JQWIXIFHSA-N 1 1 279.344 1.036 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000895673136 619798873 /nfs/dbraw/zinc/79/88/73/619798873.db2.gz HEUMXUUDFMBHGU-LBPRGKRZSA-N 1 1 299.758 1.404 20 5 CDBDMO CC1(C)CC[N@@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000897248612 620442269 /nfs/dbraw/zinc/44/22/69/620442269.db2.gz UBSVICFTJSSREV-UHFFFAOYSA-N 1 1 280.328 1.839 20 5 CDBDMO O=[N+]([O-])CCNC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000905117044 626628461 /nfs/dbraw/zinc/62/84/61/626628461.db2.gz LTWWOQIUDPTPSK-CQSZACIVSA-N 1 1 263.341 1.517 20 5 CDBDMO O=[N+]([O-])CCNC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000905117044 626628465 /nfs/dbraw/zinc/62/84/65/626628465.db2.gz LTWWOQIUDPTPSK-CQSZACIVSA-N 1 1 263.341 1.517 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153645986 631765263 /nfs/dbraw/zinc/76/52/63/631765263.db2.gz QUWQTNLSCHGTGO-LBPRGKRZSA-N 1 1 267.333 1.021 20 5 CDBDMO Cc1cnc(OC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000917148805 632165254 /nfs/dbraw/zinc/16/52/54/632165254.db2.gz FWNMWCCHPVGJHB-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO CN1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635151 1178227044 /nfs/dbraw/zinc/22/70/44/1178227044.db2.gz SAAKDNZKOGAHKQ-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@@H+]1CCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635151 1178227047 /nfs/dbraw/zinc/22/70/47/1178227047.db2.gz SAAKDNZKOGAHKQ-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635151 1178227051 /nfs/dbraw/zinc/22/70/51/1178227051.db2.gz SAAKDNZKOGAHKQ-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C2CC2)CC1 ZINC000881856725 773898069 /nfs/dbraw/zinc/89/80/69/773898069.db2.gz SOAGDELODAGDTD-UHFFFAOYSA-N 1 1 266.276 1.413 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000882422296 773971812 /nfs/dbraw/zinc/97/18/12/773971812.db2.gz MPGDFZBJEATBAE-AOOOYVTPSA-N 1 1 296.302 1.404 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000880296748 774003221 /nfs/dbraw/zinc/00/32/21/774003221.db2.gz FYXKSMBIGBXXRW-GXFFZTMASA-N 1 1 268.288 1.920 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000870853623 774011003 /nfs/dbraw/zinc/01/10/03/774011003.db2.gz XIWBLBGSFJRIIE-CYBMUJFWSA-N 1 1 263.297 1.391 20 5 CDBDMO O=C(NC1CC2(C1)CC([NH2+]CC1CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963789837 774133261 /nfs/dbraw/zinc/13/32/61/774133261.db2.gz CQGBMRXYJSJVPE-UBDGZGRMSA-N 1 1 293.367 1.079 20 5 CDBDMO CO[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885984014 774312940 /nfs/dbraw/zinc/31/29/40/774312940.db2.gz VRWMPVJYWSADHC-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO CO[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885984014 774312950 /nfs/dbraw/zinc/31/29/50/774312950.db2.gz VRWMPVJYWSADHC-NSHDSACASA-N 1 1 251.286 1.601 20 5 CDBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053209 774398016 /nfs/dbraw/zinc/39/80/16/774398016.db2.gz JFBKYALOWKSWJG-NSHDSACASA-N 1 1 275.312 1.537 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000110920886 774650568 /nfs/dbraw/zinc/65/05/68/774650568.db2.gz QRBAQENLPWCEAD-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000110920886 774650586 /nfs/dbraw/zinc/65/05/86/774650586.db2.gz QRBAQENLPWCEAD-JTQLQIEISA-N 1 1 292.339 1.413 20 5 CDBDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306926 774778216 /nfs/dbraw/zinc/77/82/16/774778216.db2.gz DHIILOPPHJXFMS-ZYHUDNBSSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306926 774778223 /nfs/dbraw/zinc/77/82/23/774778223.db2.gz DHIILOPPHJXFMS-ZYHUDNBSSA-N 1 1 265.313 1.989 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933464689 774843318 /nfs/dbraw/zinc/84/33/18/774843318.db2.gz KVZPBYGEAUZJII-JTQLQIEISA-N 1 1 273.333 1.204 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933464689 774843321 /nfs/dbraw/zinc/84/33/21/774843321.db2.gz KVZPBYGEAUZJII-JTQLQIEISA-N 1 1 273.333 1.204 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000930457306 775322391 /nfs/dbraw/zinc/32/23/91/775322391.db2.gz AVUQOSPRBOGAMU-QLFBSQMISA-N 1 1 276.336 1.768 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000778273303 775331287 /nfs/dbraw/zinc/33/12/87/775331287.db2.gz YMFYHYUZWIBWQR-OCCSQVGLSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000867945129 775524008 /nfs/dbraw/zinc/52/40/08/775524008.db2.gz RHROJTXXOBPBJT-HFAKWTLXSA-N 1 1 291.351 1.883 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000110732588 775657505 /nfs/dbraw/zinc/65/75/05/775657505.db2.gz TXAHYPXQQVKRNN-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000110732588 775657511 /nfs/dbraw/zinc/65/75/11/775657511.db2.gz TXAHYPXQQVKRNN-JTQLQIEISA-N 1 1 295.314 1.900 20 5 CDBDMO COC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229176748 775810956 /nfs/dbraw/zinc/81/09/56/775810956.db2.gz VRLGXEZAHODDHX-SNVBAGLBSA-N 1 1 274.704 1.345 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000882479050 775818172 /nfs/dbraw/zinc/81/81/72/775818172.db2.gz LPDJIPRESDZRBI-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3ccccn3)C2)n1 ZINC000799191134 775827604 /nfs/dbraw/zinc/82/76/04/775827604.db2.gz XFAYXIXMDJWCAE-LBPRGKRZSA-N 1 1 287.323 1.676 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828737245 776041012 /nfs/dbraw/zinc/04/10/12/776041012.db2.gz KLUIFHFSMZHQGH-UHFFFAOYSA-N 1 1 271.361 1.375 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279840 776320487 /nfs/dbraw/zinc/32/04/87/776320487.db2.gz YIGKCOGPZFAXKK-GXFFZTMASA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000719097178 776380236 /nfs/dbraw/zinc/38/02/36/776380236.db2.gz FVABDLVNHXWFDI-ZDUSSCGKSA-N 1 1 292.335 1.832 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839462840 776569541 /nfs/dbraw/zinc/56/95/41/776569541.db2.gz KZJMGWCTIOWHHM-BBBLOLIVSA-N 1 1 283.353 1.132 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cccnc1[N+](=O)[O-] ZINC000931718563 776606700 /nfs/dbraw/zinc/60/67/00/776606700.db2.gz BMCHSWMMRZMZIJ-QWHCGFSZSA-N 1 1 276.340 1.658 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204940 776803177 /nfs/dbraw/zinc/80/31/77/776803177.db2.gz GOGQGUKKFOJYNP-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204940 776803178 /nfs/dbraw/zinc/80/31/78/776803178.db2.gz GOGQGUKKFOJYNP-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887935059 777196111 /nfs/dbraw/zinc/19/61/11/777196111.db2.gz GRIMDEWQZVYZHY-MFKMUULPSA-N 1 1 295.364 1.680 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894123893 777464883 /nfs/dbraw/zinc/46/48/83/777464883.db2.gz DEZGJZZOBDPYDC-NSHDSACASA-N 1 1 296.323 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894123893 777464895 /nfs/dbraw/zinc/46/48/95/777464895.db2.gz DEZGJZZOBDPYDC-NSHDSACASA-N 1 1 296.323 1.512 20 5 CDBDMO CCNC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036780371 777482567 /nfs/dbraw/zinc/48/25/67/777482567.db2.gz UFHLZHBYRCKTOK-UHFFFAOYSA-N 1 1 271.704 1.474 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[C@H]3O)c2c1 ZINC000865889305 777689581 /nfs/dbraw/zinc/68/95/81/777689581.db2.gz IVQQYWWZOVYAOY-CHWSQXEVSA-N 1 1 259.265 1.500 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)cc1F ZINC000878881860 777871358 /nfs/dbraw/zinc/87/13/58/777871358.db2.gz SBKCOGRVXHORDI-QWRGUYRKSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@H]([NH2+]CCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000932178243 778067149 /nfs/dbraw/zinc/06/71/49/778067149.db2.gz JTKIUMCZIDLRQG-SECBINFHSA-N 1 1 261.285 1.606 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000886241431 778092713 /nfs/dbraw/zinc/09/27/13/778092713.db2.gz YGQZVIKTJBMOKQ-UHFFFAOYSA-N 1 1 277.324 1.869 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000886241431 778092725 /nfs/dbraw/zinc/09/27/25/778092725.db2.gz YGQZVIKTJBMOKQ-UHFFFAOYSA-N 1 1 277.324 1.869 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928553281 778141167 /nfs/dbraw/zinc/14/11/67/778141167.db2.gz MLPIADVVDXCCTI-MELADBBJSA-N 1 1 289.335 1.519 20 5 CDBDMO COC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832401267 778487583 /nfs/dbraw/zinc/48/75/83/778487583.db2.gz UVKOQIHTJZUFER-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832401267 778487605 /nfs/dbraw/zinc/48/76/05/778487605.db2.gz UVKOQIHTJZUFER-CQSZACIVSA-N 1 1 298.314 1.565 20 5 CDBDMO CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244695 778523594 /nfs/dbraw/zinc/52/35/94/778523594.db2.gz SOWMWWDJPIVQBA-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001050244695 778523603 /nfs/dbraw/zinc/52/36/03/778523603.db2.gz SOWMWWDJPIVQBA-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001050244695 778523614 /nfs/dbraw/zinc/52/36/14/778523614.db2.gz SOWMWWDJPIVQBA-ZIAGYGMSSA-N 1 1 291.351 1.420 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000312839307 779259845 /nfs/dbraw/zinc/25/98/45/779259845.db2.gz FALPCMAFMUNCLV-LLVKDONJSA-N 1 1 284.287 1.568 20 5 CDBDMO CCn1nncc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858439353 779398543 /nfs/dbraw/zinc/39/85/43/779398543.db2.gz BKTNFMLKRIAMLM-VIFPVBQESA-N 1 1 290.327 1.639 20 5 CDBDMO C[N@H+]1CCN(CC[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000930856881 779437373 /nfs/dbraw/zinc/43/73/73/779437373.db2.gz LCILXQUMBQUQRJ-CQSZACIVSA-N 1 1 263.341 1.122 20 5 CDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000066078814 779850479 /nfs/dbraw/zinc/85/04/79/779850479.db2.gz JHCQHDURWLECEX-UHFFFAOYSA-N 1 1 250.302 1.869 20 5 CDBDMO CCNCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841036067 779865890 /nfs/dbraw/zinc/86/58/90/779865890.db2.gz NWJZOHJYQMYERS-UHFFFAOYSA-N 1 1 292.383 1.763 20 5 CDBDMO COC(=O)C1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877600921 779910978 /nfs/dbraw/zinc/91/09/78/779910978.db2.gz USQVYRJHZGNTKL-UHFFFAOYSA-N 1 1 278.308 1.898 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[C@@H]21 ZINC000827009197 780013237 /nfs/dbraw/zinc/01/32/37/780013237.db2.gz NDWQTCRYLUVBNQ-OLZOCXBDSA-N 1 1 297.399 1.765 20 5 CDBDMO CC1(C)C[C@H](O)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886310053 780103458 /nfs/dbraw/zinc/10/34/58/780103458.db2.gz CJDSINMUURZSSV-NSHDSACASA-N 1 1 265.313 1.583 20 5 CDBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886310053 780103467 /nfs/dbraw/zinc/10/34/67/780103467.db2.gz CJDSINMUURZSSV-NSHDSACASA-N 1 1 265.313 1.583 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000820294318 780127217 /nfs/dbraw/zinc/12/72/17/780127217.db2.gz ARLJPDGZOKHMRE-LLVKDONJSA-N 1 1 291.351 1.988 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000820294318 780127226 /nfs/dbraw/zinc/12/72/26/780127226.db2.gz ARLJPDGZOKHMRE-LLVKDONJSA-N 1 1 291.351 1.988 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CS(=O)C2 ZINC001173221746 912306794 /nfs/dbraw/zinc/30/67/94/912306794.db2.gz LOVCBRKGJVEFNU-NSHDSACASA-N 1 1 294.376 1.590 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc3cccnc3c3ncccc23)n1 ZINC001168756301 922745347 /nfs/dbraw/zinc/74/53/47/922745347.db2.gz CVMZZYNVRVZXQX-UHFFFAOYSA-N 1 1 276.303 1.822 20 5 CDBDMO [NH3+]Cc1ncn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])n1 ZINC001168757250 922787791 /nfs/dbraw/zinc/78/77/91/922787791.db2.gz UFIWVZXETHGRQD-ONEGZZNKSA-N 1 1 279.687 1.627 20 5 CDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001155037625 926437639 /nfs/dbraw/zinc/43/76/39/926437639.db2.gz GEMJISHNYPBCHM-YIZRAAEISA-N 1 1 281.316 1.518 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCN2CCCCC2)C1 ZINC001168976701 927563424 /nfs/dbraw/zinc/56/34/24/927563424.db2.gz FMGKAXRCGNLDCX-KGLIPLIRSA-N 1 1 269.389 1.897 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@@]1(C)O ZINC001169012225 927617031 /nfs/dbraw/zinc/61/70/31/927617031.db2.gz OTGZWAHFLOLANB-XJFOESAGSA-N 1 1 270.373 1.915 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010548 927617857 /nfs/dbraw/zinc/61/78/57/927617857.db2.gz DKLGIDINDVVMKF-MJBXVCDLSA-N 1 1 270.373 1.916 20 5 CDBDMO COC(=O)N1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169014434 927620404 /nfs/dbraw/zinc/62/04/04/927620404.db2.gz ZPLTVBCLVLSWQA-NEPJUHHUSA-N 1 1 285.344 1.206 20 5 CDBDMO CCOC(=O)[C@H](CC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987192 927622580 /nfs/dbraw/zinc/62/25/80/927622580.db2.gz HIKCZULMTQSZGW-MXWKQRLJSA-N 1 1 258.318 1.363 20 5 CDBDMO CCC[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036671 927646655 /nfs/dbraw/zinc/64/66/55/927646655.db2.gz PODAJCIGOSNQHQ-CHWSQXEVSA-N 1 1 255.362 1.459 20 5 CDBDMO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169038097 927646767 /nfs/dbraw/zinc/64/67/67/927646767.db2.gz VIAHNFWONLGGIB-WDEREUQCSA-N 1 1 292.339 1.289 20 5 CDBDMO CC(C)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036992 927648208 /nfs/dbraw/zinc/64/82/08/927648208.db2.gz HUOAMXGRFNODOW-AVGNSLFASA-N 1 1 256.346 1.789 20 5 CDBDMO CC(=O)N1CCC[C@H]([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041002 927653380 /nfs/dbraw/zinc/65/33/80/927653380.db2.gz AJBOVLOMEJBHGS-IHRRRGAJSA-N 1 1 283.372 1.375 20 5 CDBDMO C[N@@H+](CCN1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039831 927654148 /nfs/dbraw/zinc/65/41/48/927654148.db2.gz UPXPTCALFROYDR-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO CN(CC[NH+]1CCCC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039831 927654157 /nfs/dbraw/zinc/65/41/57/927654157.db2.gz UPXPTCALFROYDR-OLZOCXBDSA-N 1 1 255.362 1.459 20 5 CDBDMO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022500 927662247 /nfs/dbraw/zinc/66/22/47/927662247.db2.gz CGXXPHYYXHTQKG-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022500 927662253 /nfs/dbraw/zinc/66/22/53/927662253.db2.gz CGXXPHYYXHTQKG-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO CN(C)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022501 927662416 /nfs/dbraw/zinc/66/24/16/927662416.db2.gz CGXXPHYYXHTQKG-RWMBFGLXSA-N 1 1 255.362 1.458 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022501 927662419 /nfs/dbraw/zinc/66/24/19/927662419.db2.gz CGXXPHYYXHTQKG-RWMBFGLXSA-N 1 1 255.362 1.458 20 5 CDBDMO CCCC[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024442 927663320 /nfs/dbraw/zinc/66/33/20/927663320.db2.gz HDIHJXRJXLXOCA-ZIAGYGMSSA-N 1 1 269.389 1.850 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cccs2)C1 ZINC001169023192 927664024 /nfs/dbraw/zinc/66/40/24/927664024.db2.gz DJGZWSIQYDIPDE-VXGBXAGGSA-N 1 1 284.381 1.988 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCC3(C2)CCOCC3)C1 ZINC001169026565 927666700 /nfs/dbraw/zinc/66/67/00/927666700.db2.gz MTCYMIFCRKFXBJ-QWHCGFSZSA-N 1 1 268.357 1.934 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056308 927672750 /nfs/dbraw/zinc/67/27/50/927672750.db2.gz RMRREIQJSBPDFQ-NDBYEHHHSA-N 1 1 253.346 1.210 20 5 CDBDMO CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056308 927672757 /nfs/dbraw/zinc/67/27/57/927672757.db2.gz RMRREIQJSBPDFQ-NDBYEHHHSA-N 1 1 253.346 1.210 20 5 CDBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056308 927672762 /nfs/dbraw/zinc/67/27/62/927672762.db2.gz RMRREIQJSBPDFQ-NDBYEHHHSA-N 1 1 253.346 1.210 20 5 CDBDMO CC(C)(CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[N+](=O)[O-] ZINC000823196007 931271593 /nfs/dbraw/zinc/27/15/93/931271593.db2.gz RTMZWMBCPNZAND-LBPRGKRZSA-N 1 1 283.372 1.422 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC1=CC[N@@H+](C)CC1 ZINC001117264575 937505110 /nfs/dbraw/zinc/50/51/10/937505110.db2.gz UQYGIGINJQFVTO-UHFFFAOYSA-N 1 1 262.313 1.394 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12C[NH2+]C2 ZINC001246442332 931492424 /nfs/dbraw/zinc/49/24/24/931492424.db2.gz CWHRMKSBZLINJO-GWCFXTLKSA-N 1 1 261.325 1.477 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CCO)c1F ZINC001246912258 932422974 /nfs/dbraw/zinc/42/29/74/932422974.db2.gz KJJRCYIMCSGFSY-SECBINFHSA-N 1 1 286.303 1.598 20 5 CDBDMO C[NH+](C)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)o1 ZINC001155043822 937625890 /nfs/dbraw/zinc/62/58/90/937625890.db2.gz STNAXELHBNBKDO-UHFFFAOYSA-N 1 1 279.256 1.225 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001156380348 938360996 /nfs/dbraw/zinc/36/09/96/938360996.db2.gz ZHTYMQQMCAYMES-LLVKDONJSA-N 1 1 279.344 1.837 20 5 CDBDMO COc1cc(NCCn2cc[nH+]c2C)cnc1[N+](=O)[O-] ZINC001163928330 939355981 /nfs/dbraw/zinc/35/59/81/939355981.db2.gz GRBVMMOEVRKNFC-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227741914 942215943 /nfs/dbraw/zinc/21/59/43/942215943.db2.gz SWXJLDZSUZWVES-SECBINFHSA-N 1 1 262.269 1.554 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncncc1[N+](=O)[O-])C2 ZINC001228656738 942349244 /nfs/dbraw/zinc/34/92/44/942349244.db2.gz IYVYTTQMMVHDOW-ILWJIGKKSA-N 1 1 264.285 1.389 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C)C2)cc1O ZINC001228812757 942380789 /nfs/dbraw/zinc/38/07/89/942380789.db2.gz XWNSQBOSNBXXIV-QMMMGPOBSA-N 1 1 296.279 1.170 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)cc1O ZINC001228812757 942380793 /nfs/dbraw/zinc/38/07/93/942380793.db2.gz XWNSQBOSNBXXIV-QMMMGPOBSA-N 1 1 296.279 1.170 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857490 943674488 /nfs/dbraw/zinc/67/44/88/943674488.db2.gz NAPCHQFIVGCCQM-NSHDSACASA-N 1 1 251.286 1.853 20 5 CDBDMO CO[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001261886557 946319593 /nfs/dbraw/zinc/31/95/93/946319593.db2.gz HMJAKBINSSLYMC-JSGCOSHPSA-N 1 1 293.323 1.016 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)C1 ZINC001254550324 947521750 /nfs/dbraw/zinc/52/17/50/947521750.db2.gz HRFWQIPIVFJXPP-AAEUAGOBSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246568266 948289524 /nfs/dbraw/zinc/28/95/24/948289524.db2.gz MSMKVHCPTGLJOA-FVCCEPFGSA-N 1 1 255.362 1.491 20 5 CDBDMO C[C@@H]1CC[C@H](C[NH3+])N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246568266 948289534 /nfs/dbraw/zinc/28/95/34/948289534.db2.gz MSMKVHCPTGLJOA-FVCCEPFGSA-N 1 1 255.362 1.491 20 5 CDBDMO N[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582434 948307972 /nfs/dbraw/zinc/30/79/72/948307972.db2.gz MKSXWJMJBKLLDO-CHWSQXEVSA-N 1 1 297.305 1.730 20 5 CDBDMO N[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582434 948307979 /nfs/dbraw/zinc/30/79/79/948307979.db2.gz MKSXWJMJBKLLDO-CHWSQXEVSA-N 1 1 297.305 1.730 20 5 CDBDMO [NH3+][C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246582434 948307983 /nfs/dbraw/zinc/30/79/83/948307983.db2.gz MKSXWJMJBKLLDO-CHWSQXEVSA-N 1 1 297.305 1.730 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[NH2+]C2CC2)n1 ZINC001247467877 948644826 /nfs/dbraw/zinc/64/48/26/948644826.db2.gz RBTMTVBSVOYESM-UHFFFAOYSA-N 1 1 279.231 1.431 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC001324418603 953382285 /nfs/dbraw/zinc/38/22/85/953382285.db2.gz YGPXWDHCNLDYBD-VIFPVBQESA-N 1 1 265.317 1.224 20 5 CDBDMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304501580 956196321 /nfs/dbraw/zinc/19/63/21/956196321.db2.gz YCWQIXXYLSLAMX-SECBINFHSA-N 1 1 292.339 1.766 20 5 CDBDMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304501580 956196327 /nfs/dbraw/zinc/19/63/27/956196327.db2.gz YCWQIXXYLSLAMX-SECBINFHSA-N 1 1 292.339 1.766 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001307785589 956441308 /nfs/dbraw/zinc/44/13/08/956441308.db2.gz NOPKAJQUGYHBHW-RISCZKNCSA-N 1 1 291.351 1.739 20 5 CDBDMO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC001331034274 956776373 /nfs/dbraw/zinc/77/63/73/956776373.db2.gz KDGUJFSNIQQTED-GWCFXTLKSA-N 1 1 294.311 1.024 20 5 CDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC001331034274 956776378 /nfs/dbraw/zinc/77/63/78/956776378.db2.gz KDGUJFSNIQQTED-GWCFXTLKSA-N 1 1 294.311 1.024 20 5 CDBDMO C[N@@H+](CCO)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001333992226 958750338 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Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc(C)[nH+]1 ZINC001346556379 965167430 /nfs/dbraw/zinc/16/74/30/965167430.db2.gz YNSYKSBRVKVOPF-UHFFFAOYSA-N 1 1 261.241 1.004 20 5 CDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001348318003 965928904 /nfs/dbraw/zinc/92/89/04/965928904.db2.gz QPIDOCVQGLEESW-CYBMUJFWSA-N 1 1 293.323 1.562 20 5 CDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001348318003 965928912 /nfs/dbraw/zinc/92/89/12/965928912.db2.gz QPIDOCVQGLEESW-CYBMUJFWSA-N 1 1 293.323 1.562 20 5 CDBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000601034560 342460306 /nfs/dbraw/zinc/46/03/06/342460306.db2.gz CFHJELMXGIGHOU-VIFPVBQESA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(O)CCC3)c2c1 ZINC000601112862 342470641 /nfs/dbraw/zinc/47/06/41/342470641.db2.gz IHPVPTHIYWYXKH-UHFFFAOYSA-N 1 1 273.292 1.892 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000124441510 187138082 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C[N@@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000314213655 344910833 /nfs/dbraw/zinc/91/08/33/344910833.db2.gz TVLHNJLTALHGPR-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000314213655 344910837 /nfs/dbraw/zinc/91/08/37/344910837.db2.gz TVLHNJLTALHGPR-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO O=C(C[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000025418700 362532038 /nfs/dbraw/zinc/53/20/38/362532038.db2.gz NPSDISVXBNNEDR-UHFFFAOYSA-N 1 1 275.308 1.580 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cs1 ZINC000344080347 362542977 /nfs/dbraw/zinc/54/29/77/362542977.db2.gz ZBCMXDTUYYBBJA-AXFHLTTASA-N 1 1 268.338 1.859 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242870 362558457 /nfs/dbraw/zinc/55/84/57/362558457.db2.gz PCSZIJZHWKSUKW-LBPRGKRZSA-N 1 1 295.314 1.948 20 5 CDBDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080657107 345618595 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ONPGWHUSIUJENJ-VUUYWXRKSA-N 1 1 289.335 1.805 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000157660049 188330505 /nfs/dbraw/zinc/33/05/05/188330505.db2.gz HUCFUCURNPUCMO-JTQLQIEISA-N 1 1 282.296 1.179 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000157660049 188330506 /nfs/dbraw/zinc/33/05/06/188330506.db2.gz HUCFUCURNPUCMO-JTQLQIEISA-N 1 1 282.296 1.179 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659663 192249920 /nfs/dbraw/zinc/24/99/20/192249920.db2.gz VVBZDHICHWPFSN-QWRGUYRKSA-N 1 1 279.344 1.917 20 5 CDBDMO CN1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000572852595 357027881 /nfs/dbraw/zinc/02/78/81/357027881.db2.gz HPJWXFKLWHWTPR-LBPRGKRZSA-N 1 1 295.314 1.787 20 5 CDBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCC1=O ZINC000572852595 357027885 /nfs/dbraw/zinc/02/78/85/357027885.db2.gz HPJWXFKLWHWTPR-LBPRGKRZSA-N 1 1 295.314 1.787 20 5 CDBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 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COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CC1 ZINC000048065105 359189196 /nfs/dbraw/zinc/18/91/96/359189196.db2.gz QEODVJHKQGZJQM-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CC1 ZINC000048065105 359189201 /nfs/dbraw/zinc/18/92/01/359189201.db2.gz QEODVJHKQGZJQM-UHFFFAOYSA-N 1 1 266.297 1.560 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000287927338 359139459 /nfs/dbraw/zinc/13/94/59/359139459.db2.gz WYBRYBQZFDTAMK-TXEJJXNPSA-N 1 1 289.335 1.795 20 5 CDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000048346797 359202511 /nfs/dbraw/zinc/20/25/11/359202511.db2.gz ZJNYISRFUHZFTO-LBPRGKRZSA-N 1 1 293.323 1.041 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CC3CC3)C2)n1 ZINC000339674436 359426453 /nfs/dbraw/zinc/42/64/53/359426453.db2.gz OXXGTESERSTWNC-LBPRGKRZSA-N 1 1 264.329 1.913 20 5 CDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000297076368 200078835 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C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152333 364369434 /nfs/dbraw/zinc/36/94/34/364369434.db2.gz MYDWIOGWVOJPOV-SCZZXKLOSA-N 1 1 265.317 1.223 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199325 364445348 /nfs/dbraw/zinc/44/53/48/364445348.db2.gz OJIVUHPFYIYKLB-QMTHXVAHSA-N 1 1 289.335 1.807 20 5 CDBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249402247 364676291 /nfs/dbraw/zinc/67/62/91/364676291.db2.gz CHYWFAMWGGLKNO-CYZMBNFOSA-N 1 1 282.344 1.273 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486179 364787995 /nfs/dbraw/zinc/78/79/95/364787995.db2.gz MMTAUMZBZXXSDR-MNOVXSKESA-N 1 1 294.355 1.190 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCSCC2)c1 ZINC000089980799 366999820 /nfs/dbraw/zinc/99/98/20/366999820.db2.gz QWRRJJIQUZJERG-UHFFFAOYSA-N 1 1 256.331 1.230 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000272283989 367673841 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C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295668814 370558372 /nfs/dbraw/zinc/55/83/72/370558372.db2.gz JAWXLUWGFBJUBN-UHFFFAOYSA-N 1 1 265.313 1.333 20 5 CDBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cs1 ZINC000126722836 541891694 /nfs/dbraw/zinc/89/16/94/541891694.db2.gz NYOWDNWOZDMTRO-VIFPVBQESA-N 1 1 290.366 1.323 20 5 CDBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266684210 374600452 /nfs/dbraw/zinc/60/04/52/374600452.db2.gz TVBAOJKOGHTNHF-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266684210 374600460 /nfs/dbraw/zinc/60/04/60/374600460.db2.gz TVBAOJKOGHTNHF-UHFFFAOYSA-N 1 1 295.339 1.810 20 5 CDBDMO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154766930 374747635 /nfs/dbraw/zinc/74/76/35/374747635.db2.gz KBHOOURRFCDWEG-TVQRCGJNSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154766930 374747637 /nfs/dbraw/zinc/74/76/37/374747637.db2.gz KBHOOURRFCDWEG-TVQRCGJNSA-N 1 1 283.303 1.865 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CCn1cccc([N+](=O)[O-])c1=O ZINC000283777299 375123765 /nfs/dbraw/zinc/12/37/65/375123765.db2.gz CTSTYWRDIQUDAI-LLVKDONJSA-N 1 1 265.313 1.631 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000162564146 375201156 /nfs/dbraw/zinc/20/11/56/375201156.db2.gz OQPTYFONUBERNC-UHFFFAOYSA-N 1 1 277.202 1.058 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275589 375295949 /nfs/dbraw/zinc/29/59/49/375295949.db2.gz HAEMVDQXWASPQR-JTQLQIEISA-N 1 1 265.317 1.589 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000162612641 375390480 /nfs/dbraw/zinc/39/04/80/375390480.db2.gz UPNKCNUROKAGJW-AATRIKPKSA-N 1 1 285.250 1.318 20 5 CDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352889764 375550237 /nfs/dbraw/zinc/55/02/37/375550237.db2.gz ZBHPIBNGLKSSCH-STQMWFEESA-N 1 1 296.371 1.807 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000354512432 375720949 /nfs/dbraw/zinc/72/09/49/375720949.db2.gz SPKYNTYSWFXRHN-QWRGUYRKSA-N 1 1 279.344 1.482 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428722564 247355225 /nfs/dbraw/zinc/35/52/25/247355225.db2.gz PZZBLQDEOISRHE-GXSJLCMTSA-N 1 1 286.282 1.805 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356899636 375866199 /nfs/dbraw/zinc/86/61/99/375866199.db2.gz KPIRLEGYNYJLKZ-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356899636 375866205 /nfs/dbraw/zinc/86/62/05/375866205.db2.gz KPIRLEGYNYJLKZ-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(F)(F)C[NH3+] ZINC000162606116 376571995 /nfs/dbraw/zinc/57/19/95/376571995.db2.gz RSHYELHKFLWJDY-UHFFFAOYSA-N 1 1 273.239 1.227 20 5 CDBDMO Cc1nn(C)c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000571862837 377568918 /nfs/dbraw/zinc/56/89/18/377568918.db2.gz SYAKJUSQRBGPIA-CQSZACIVSA-N 1 1 293.371 1.559 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCO)CCCO ZINC000266935106 378872827 /nfs/dbraw/zinc/87/28/27/378872827.db2.gz NTKVVFUOYRNPOD-UHFFFAOYSA-N 1 1 288.731 1.425 20 5 CDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)CCCO ZINC000266935106 378872831 /nfs/dbraw/zinc/87/28/31/378872831.db2.gz NTKVVFUOYRNPOD-UHFFFAOYSA-N 1 1 288.731 1.425 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000267026551 379382149 /nfs/dbraw/zinc/38/21/49/379382149.db2.gz LNZONDJVTSPDAH-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000267026551 379382154 /nfs/dbraw/zinc/38/21/54/379382154.db2.gz LNZONDJVTSPDAH-JTQLQIEISA-N 1 1 268.288 1.938 20 5 CDBDMO COCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000289138690 197244076 /nfs/dbraw/zinc/24/40/76/197244076.db2.gz YIQAIUZLUPZYLZ-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000289138690 197244077 /nfs/dbraw/zinc/24/40/77/197244077.db2.gz YIQAIUZLUPZYLZ-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO CO[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285740270 390183303 /nfs/dbraw/zinc/18/33/03/390183303.db2.gz QHWYEWQIFLRZKI-SECBINFHSA-N 1 1 283.284 1.970 20 5 CDBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285740270 390183306 /nfs/dbraw/zinc/18/33/06/390183306.db2.gz QHWYEWQIFLRZKI-SECBINFHSA-N 1 1 283.284 1.970 20 5 CDBDMO CC[C@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247706726 390915491 /nfs/dbraw/zinc/91/54/91/390915491.db2.gz ZBRDXYAIRHOLFD-ZIAGYGMSSA-N 1 1 296.371 1.664 20 5 CDBDMO CC[N@@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000183580936 391264070 /nfs/dbraw/zinc/26/40/70/391264070.db2.gz NKDBROHNWUNRKE-UHFFFAOYSA-N 1 1 293.327 1.596 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000189843428 130029427 /nfs/dbraw/zinc/02/94/27/130029427.db2.gz WBBWIQMRNHWJEC-LBPRGKRZSA-N 1 1 281.268 1.460 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000189843428 130029432 /nfs/dbraw/zinc/02/94/32/130029432.db2.gz WBBWIQMRNHWJEC-LBPRGKRZSA-N 1 1 281.268 1.460 20 5 CDBDMO C[C@@H]1CSCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470158 130107957 /nfs/dbraw/zinc/10/79/57/130107957.db2.gz LOVPMZDISSCBJB-JTQLQIEISA-N 1 1 270.358 1.476 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC(N)=O ZINC000353192022 391901257 /nfs/dbraw/zinc/90/12/57/391901257.db2.gz ADZXFEFJVXWAHT-SNVBAGLBSA-N 1 1 265.313 1.771 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000263737802 131319623 /nfs/dbraw/zinc/31/96/23/131319623.db2.gz IERUUMQDZTUOEC-UHFFFAOYSA-N 1 1 295.339 1.211 20 5 CDBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000442972412 392512287 /nfs/dbraw/zinc/51/22/87/392512287.db2.gz ZRWJUBCEBSNAGU-VSKVDJIOSA-N 1 1 289.335 1.818 20 5 CDBDMO C[C@H]1CC[NH2+]C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000422746229 392956593 /nfs/dbraw/zinc/95/65/93/392956593.db2.gz WFKRERGXEHZSMM-FZMZJTMJSA-N 1 1 263.341 1.725 20 5 CDBDMO C[N@@H+](CCCO)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000115519844 392972520 /nfs/dbraw/zinc/97/25/20/392972520.db2.gz UCJHHKICITZNPW-UHFFFAOYSA-N 1 1 294.355 1.273 20 5 CDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000429627533 393085391 /nfs/dbraw/zinc/08/53/91/393085391.db2.gz NZMRTFOMQNZEKB-VIFPVBQESA-N 1 1 283.332 1.072 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449705190 393139354 /nfs/dbraw/zinc/13/93/54/393139354.db2.gz XCFWUHYKYVNFLT-CQSZACIVSA-N 1 1 280.324 1.426 20 5 CDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281834820 393158753 /nfs/dbraw/zinc/15/87/53/393158753.db2.gz INUHJOOMFKQBRN-CBAPKCEASA-N 1 1 268.342 1.946 20 5 CDBDMO C[C@H](O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000131333899 393201249 /nfs/dbraw/zinc/20/12/49/393201249.db2.gz BBUXORFCEGFEIU-JTQLQIEISA-N 1 1 254.286 1.286 20 5 CDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286894 148034684 /nfs/dbraw/zinc/03/46/84/148034684.db2.gz LACHCSMGLCKJRI-RISCZKNCSA-N 1 1 296.371 1.927 20 5 CDBDMO CC(C)[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000311032243 149207864 /nfs/dbraw/zinc/20/78/64/149207864.db2.gz FEXAFBOOYZNTBA-VIFPVBQESA-N 1 1 255.322 1.469 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000333982132 149293884 /nfs/dbraw/zinc/29/38/84/149293884.db2.gz HLGYWKZYCOCWAV-ONGXEEELSA-N 1 1 295.314 1.946 20 5 CDBDMO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000346906047 153344895 /nfs/dbraw/zinc/34/48/95/153344895.db2.gz AWEVFBIPOMUBSN-UHFFFAOYSA-N 1 1 276.252 1.901 20 5 CDBDMO Cc1c(C[N@H+]2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362090281 159067714 /nfs/dbraw/zinc/06/77/14/159067714.db2.gz MUOXSACJUTVWCO-ZWNOBZJWSA-N 1 1 264.325 1.963 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000363572906 159329714 /nfs/dbraw/zinc/32/97/14/159329714.db2.gz KYDQDEYRUMJEGT-CHWSQXEVSA-N 1 1 280.328 1.027 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000020941419 171281565 /nfs/dbraw/zinc/28/15/65/171281565.db2.gz SMVVFGLIRJKRHY-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)C1 ZINC000020941419 171281566 /nfs/dbraw/zinc/28/15/66/171281566.db2.gz SMVVFGLIRJKRHY-LBPRGKRZSA-N 1 1 266.297 1.560 20 5 CDBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cncc1F ZINC000285462560 196292611 /nfs/dbraw/zinc/29/26/11/196292611.db2.gz ARISOPWEDRRVOZ-MRVPVSSYSA-N 1 1 297.265 1.815 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285634547 196350884 /nfs/dbraw/zinc/35/08/84/196350884.db2.gz XKONMKPEVMEBSZ-LBPRGKRZSA-N 1 1 266.297 1.085 20 5 CDBDMO COCC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000266801623 274030175 /nfs/dbraw/zinc/03/01/75/274030175.db2.gz CCMPXPQGZRVNHP-LBPRGKRZSA-N 1 1 294.355 1.455 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000275823828 274271448 /nfs/dbraw/zinc/27/14/48/274271448.db2.gz NISWYEPMFHTEKU-SNVBAGLBSA-N 1 1 283.303 1.237 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286872622 274537620 /nfs/dbraw/zinc/53/76/20/274537620.db2.gz NPGSDHHYDAZNDX-JTQLQIEISA-N 1 1 299.758 1.751 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000291024989 274723585 /nfs/dbraw/zinc/72/35/85/274723585.db2.gz YFKHDBNSPYXLEK-UHFFFAOYSA-N 1 1 287.323 1.953 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459718745 279384574 /nfs/dbraw/zinc/38/45/74/279384574.db2.gz NDCQFIKSQRCNSG-PWSUYJOCSA-N 1 1 292.339 1.329 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459718745 279384576 /nfs/dbraw/zinc/38/45/76/279384576.db2.gz NDCQFIKSQRCNSG-PWSUYJOCSA-N 1 1 292.339 1.329 20 5 CDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000524095197 281104151 /nfs/dbraw/zinc/10/41/51/281104151.db2.gz DLFCZNXSFWJHAQ-UHFFFAOYSA-N 1 1 294.355 1.490 20 5 CDBDMO NC(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289793 289363681 /nfs/dbraw/zinc/36/36/81/289363681.db2.gz ONPGWHUSIUJENJ-RJNRQISESA-N 1 1 289.335 1.805 20 5 CDBDMO Cc1c(NC(=O)CC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000564343544 293346793 /nfs/dbraw/zinc/34/67/93/293346793.db2.gz QRBAVGMMAGGPFO-UHFFFAOYSA-N 1 1 273.239 1.826 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354182 294223059 /nfs/dbraw/zinc/22/30/59/294223059.db2.gz VJFMKYGYXBXGFH-GXTWGEPZSA-N 1 1 295.383 1.866 20 5 CDBDMO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752843868 1160635764 /nfs/dbraw/zinc/63/57/64/1160635764.db2.gz JGFMWGSZKHMVGT-RGDJUOJXSA-N 1 1 295.383 1.278 20 5 CDBDMO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752843868 1160635768 /nfs/dbraw/zinc/63/57/68/1160635768.db2.gz JGFMWGSZKHMVGT-RGDJUOJXSA-N 1 1 295.383 1.278 20 5 CDBDMO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752843868 1160635772 /nfs/dbraw/zinc/63/57/72/1160635772.db2.gz JGFMWGSZKHMVGT-RGDJUOJXSA-N 1 1 295.383 1.278 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054131581 520232458 /nfs/dbraw/zinc/23/24/58/520232458.db2.gz LPMHJBUWOGCRKN-UHFFFAOYSA-N 1 1 285.731 1.930 20 5 CDBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913158 524512255 /nfs/dbraw/zinc/51/22/55/524512255.db2.gz OBIDSOARFBTUKP-SECBINFHSA-N 1 1 250.302 1.884 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)C1 ZINC000729681897 574820533 /nfs/dbraw/zinc/82/05/33/574820533.db2.gz MNXAOQFWCWVTML-GFCCVEGCSA-N 1 1 279.340 1.787 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)C1 ZINC000729681897 574820535 /nfs/dbraw/zinc/82/05/35/574820535.db2.gz MNXAOQFWCWVTML-GFCCVEGCSA-N 1 1 279.340 1.787 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744457196 576681887 /nfs/dbraw/zinc/68/18/87/576681887.db2.gz NXOSCWZHYFHTGQ-UHFFFAOYSA-N 1 1 291.311 1.673 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000771976454 575644216 /nfs/dbraw/zinc/64/42/16/575644216.db2.gz SVTHOFNWVKORRH-UHFFFAOYSA-N 1 1 289.291 1.886 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000764985679 575971707 /nfs/dbraw/zinc/97/17/07/575971707.db2.gz UDTISIRVYYVAKP-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000764985679 575971710 /nfs/dbraw/zinc/97/17/10/575971710.db2.gz UDTISIRVYYVAKP-GFCCVEGCSA-N 1 1 290.323 1.931 20 5 CDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000764021237 576774325 /nfs/dbraw/zinc/77/43/25/576774325.db2.gz ILBHLEMTVWOHGB-UHFFFAOYSA-N 1 1 292.299 1.068 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000749799283 576963231 /nfs/dbraw/zinc/96/32/31/576963231.db2.gz WDLMXTUVJYGMLU-QWHCGFSZSA-N 1 1 294.355 1.724 20 5 CDBDMO COc1ccc(OCC[N@@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000934023816 617863602 /nfs/dbraw/zinc/86/36/02/617863602.db2.gz MLXVAORBBKVKOY-JTQLQIEISA-N 1 1 282.296 1.049 20 5 CDBDMO COc1ccc(OCC[N@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000934023816 617863607 /nfs/dbraw/zinc/86/36/07/617863607.db2.gz MLXVAORBBKVKOY-JTQLQIEISA-N 1 1 282.296 1.049 20 5 CDBDMO Cc1nn(CN2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779860509 617898940 /nfs/dbraw/zinc/89/89/40/617898940.db2.gz ZIBUSZHPJUYMNZ-UHFFFAOYSA-N 1 1 295.387 1.863 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000893938837 618201258 /nfs/dbraw/zinc/20/12/58/618201258.db2.gz GNEKWRSQGIDKKL-HTQZYQBOSA-N 1 1 254.315 1.192 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000895193286 619444766 /nfs/dbraw/zinc/44/47/66/619444766.db2.gz SPRZHLFPJUZLND-VHSXEESVSA-N 1 1 265.317 1.001 20 5 CDBDMO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246890 619493259 /nfs/dbraw/zinc/49/32/59/619493259.db2.gz QXOUJWOLVXHDEZ-JQWIXIFHSA-N 1 1 279.344 1.036 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000896650383 620182273 /nfs/dbraw/zinc/18/22/73/620182273.db2.gz GQMMJRIRQHWAOS-NSHDSACASA-N 1 1 281.360 1.495 20 5 CDBDMO [NH3+]CC(F)(F)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000841059425 621609209 /nfs/dbraw/zinc/60/92/09/621609209.db2.gz CVZDIFGOOFUVKX-UHFFFAOYSA-N 1 1 279.674 1.932 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000905044993 626384050 /nfs/dbraw/zinc/38/40/50/626384050.db2.gz GXOHDBPWJWSKID-UHFFFAOYSA-N 1 1 260.297 1.298 20 5 CDBDMO CN(C)[C@H](C[NH2+]CC[N+](=O)[O-])Cc1ccccc1 ZINC000905023260 626389483 /nfs/dbraw/zinc/38/94/83/626389483.db2.gz FAJYZOCMESWXRH-ZDUSSCGKSA-N 1 1 251.330 1.026 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000905191669 626669517 /nfs/dbraw/zinc/66/95/17/626669517.db2.gz VMWCWQCEBKFBDO-CYBMUJFWSA-N 1 1 277.324 1.044 20 5 CDBDMO C[C@@H]1CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976040 627065020 /nfs/dbraw/zinc/06/50/20/627065020.db2.gz XNNMNQKVPCMXHS-MNOVXSKESA-N 1 1 266.297 1.429 20 5 CDBDMO CC(C)c1[nH]nc(C(=O)N(C2CC2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001575847570 1171283630 /nfs/dbraw/zinc/28/36/30/1171283630.db2.gz MSJPQNGHCCDTTA-UHFFFAOYSA-N 1 1 293.327 1.018 20 5 CDBDMO C[C@@H]1CCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576744930 1171504694 /nfs/dbraw/zinc/50/46/94/1171504694.db2.gz NYUQLOMTVYGRAR-NOZJJQNGSA-N 1 1 263.297 1.390 20 5 CDBDMO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001580329569 1172405629 /nfs/dbraw/zinc/40/56/29/1172405629.db2.gz OKQBWXHTPVHJAE-SNVBAGLBSA-N 1 1 279.296 1.254 20 5 CDBDMO CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753595409 1185261746 /nfs/dbraw/zinc/26/17/46/1185261746.db2.gz XCWKOWXBDFLSBE-CHWSQXEVSA-N 1 1 283.372 1.280 20 5 CDBDMO Cc1nn(C[N@@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779864149 782427685 /nfs/dbraw/zinc/42/76/85/782427685.db2.gz VJNVLNJHORUGHG-UHFFFAOYSA-N 1 1 294.355 1.950 20 5 CDBDMO Cc1nn(C[N@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779864149 782427700 /nfs/dbraw/zinc/42/77/00/782427700.db2.gz VJNVLNJHORUGHG-UHFFFAOYSA-N 1 1 294.355 1.950 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996429335 782495701 /nfs/dbraw/zinc/49/57/01/782495701.db2.gz PYZSHEUJONMAJF-ZIAGYGMSSA-N 1 1 295.383 1.422 20 5 CDBDMO Cc1c(C[NH2+][C@@H](C)c2cnnn2C)cccc1[N+](=O)[O-] ZINC000926268550 782672355 /nfs/dbraw/zinc/67/23/55/782672355.db2.gz HCBDMGRKNMXOQH-JTQLQIEISA-N 1 1 275.312 1.883 20 5 CDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886001928 782912745 /nfs/dbraw/zinc/91/27/45/782912745.db2.gz NCYULNKPOIMFOQ-PWSUYJOCSA-N 1 1 265.313 1.725 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000882960803 783027163 /nfs/dbraw/zinc/02/71/63/783027163.db2.gz WPVVAEDVGACHJF-VIFPVBQESA-N 1 1 276.300 1.144 20 5 CDBDMO C[N@@H+](CCO)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000884825250 781278423 /nfs/dbraw/zinc/27/84/23/781278423.db2.gz NDUBHYXVHTTYLL-UHFFFAOYSA-N 1 1 294.355 1.205 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818972211 781433289 /nfs/dbraw/zinc/43/32/89/781433289.db2.gz UXEVAYABZYVNOO-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818972211 781433292 /nfs/dbraw/zinc/43/32/92/781433292.db2.gz UXEVAYABZYVNOO-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887398842 781487357 /nfs/dbraw/zinc/48/73/57/781487357.db2.gz ILRZKRNKTYLOJA-BXUZGUMPSA-N 1 1 291.351 1.909 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOCC[C@@H]1C ZINC000878374886 1166180967 /nfs/dbraw/zinc/18/09/67/1166180967.db2.gz YMRFQVBPJHBIAO-JTQLQIEISA-N 1 1 268.317 1.211 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001173223573 912308450 /nfs/dbraw/zinc/30/84/50/912308450.db2.gz AZHHJAAXSSAXJO-DGCLKSJQSA-N 1 1 291.351 1.723 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(N)=O)CC1 ZINC001173228698 912323225 /nfs/dbraw/zinc/32/32/25/912323225.db2.gz YOOCEPSRIRSNHA-NSHDSACASA-N 1 1 292.339 1.222 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1N ZINC001173229904 912327362 /nfs/dbraw/zinc/32/73/62/912327362.db2.gz WBLCILMIXCAESS-DDTOSNHZSA-N 1 1 263.341 1.995 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)cc(N2CCc3[nH+]ccn3CC2)n1 ZINC001167182763 894825135 /nfs/dbraw/zinc/82/51/35/894825135.db2.gz SRZSWXYCTWLQQL-UHFFFAOYSA-N 1 1 293.714 1.902 20 5 CDBDMO Cc1[nH+]c(N)ccc1CNc1cccnc1[N+](=O)[O-] ZINC001167785984 900692058 /nfs/dbraw/zinc/69/20/58/900692058.db2.gz FFSDMTRKZAZUGR-UHFFFAOYSA-N 1 1 259.269 1.888 20 5 CDBDMO Cc1c(F)cnc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167878419 901605700 /nfs/dbraw/zinc/60/57/00/901605700.db2.gz QZCSVTXIHGUPSN-UHFFFAOYSA-N 1 1 284.295 1.112 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(=O)[nH]cc1Br ZINC001227137393 906076176 /nfs/dbraw/zinc/07/61/76/906076176.db2.gz IGIIKLFOBQMWPD-SSDOTTSWSA-O 1 1 291.169 1.418 20 5 CDBDMO C[NH+](C)CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000171193759 912143854 /nfs/dbraw/zinc/14/38/54/912143854.db2.gz CXSPMYLFJNLOOD-UHFFFAOYSA-N 1 1 289.295 1.485 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000921549785 919088447 /nfs/dbraw/zinc/08/84/47/919088447.db2.gz MSYOWUCNYDKZAL-UHFFFAOYSA-N 1 1 288.307 1.611 20 5 CDBDMO Cc1ccc2c(ccnc2-n2cnc(C[NH3+])n2)c1[N+](=O)[O-] ZINC001168749424 922079367 /nfs/dbraw/zinc/07/93/67/922079367.db2.gz JJLZSYJZQFMDLC-UHFFFAOYSA-N 1 1 284.279 1.491 20 5 CDBDMO CC(C)(C)c1cnc(-n2cnc(C[NH3+])n2)c([N+](=O)[O-])c1 ZINC001168750494 922105976 /nfs/dbraw/zinc/10/59/76/922105976.db2.gz VZAAJNJEKXIURQ-UHFFFAOYSA-N 1 1 276.300 1.327 20 5 CDBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839536774 936914690 /nfs/dbraw/zinc/91/46/90/936914690.db2.gz QOAXFEVXQQVCKL-AAVRWANBSA-N 1 1 297.399 1.526 20 5 CDBDMO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195760734 924704980 /nfs/dbraw/zinc/70/49/80/924704980.db2.gz DDFRQIVPQCEIBM-LSMGEYOZSA-N 1 1 295.383 1.542 20 5 CDBDMO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195760734 924704983 /nfs/dbraw/zinc/70/49/83/924704983.db2.gz DDFRQIVPQCEIBM-LSMGEYOZSA-N 1 1 295.383 1.542 20 5 CDBDMO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195760734 924704991 /nfs/dbraw/zinc/70/49/91/924704991.db2.gz DDFRQIVPQCEIBM-LSMGEYOZSA-N 1 1 295.383 1.542 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712322720 927287271 /nfs/dbraw/zinc/28/72/71/927287271.db2.gz FYRYEOVHPKMNKV-MRVPVSSYSA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712322720 927287280 /nfs/dbraw/zinc/28/72/80/927287280.db2.gz FYRYEOVHPKMNKV-MRVPVSSYSA-N 1 1 267.260 1.168 20 5 CDBDMO COC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168961232 927582947 /nfs/dbraw/zinc/58/29/47/927582947.db2.gz IGTFWLBANBRXLU-UWVGGRQHSA-N 1 1 256.302 1.117 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011928 927616700 /nfs/dbraw/zinc/61/67/00/927616700.db2.gz NREBKQGYNFANLJ-ZNSHCXBVSA-N 1 1 296.289 1.534 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(CC3CC3)CC2)C1 ZINC001169027861 927632923 /nfs/dbraw/zinc/63/29/23/927632923.db2.gz RGALLTCLYFNSDZ-UONOGXRCSA-N 1 1 267.373 1.459 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035989 927644316 /nfs/dbraw/zinc/64/43/16/927644316.db2.gz DZYZEOSMWPANCU-SDDRHHMPSA-N 1 1 270.329 1.459 20 5 CDBDMO CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039020 927649762 /nfs/dbraw/zinc/64/97/62/927649762.db2.gz MJYKBFDKVQOIHH-RNJOBUHISA-N 1 1 254.330 1.685 20 5 CDBDMO Cc1noc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001169039251 927650521 /nfs/dbraw/zinc/65/05/21/927650521.db2.gz OPONELLQOCUNIQ-WOPDTQHZSA-N 1 1 280.328 1.960 20 5 CDBDMO COC(=O)CC[N@@H+](C1CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046879 927666274 /nfs/dbraw/zinc/66/62/74/927666274.db2.gz OCQSDGULMJZLQW-PWSUYJOCSA-N 1 1 270.329 1.459 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000882479049 930008087 /nfs/dbraw/zinc/00/80/87/930008087.db2.gz LPDJIPRESDZRBI-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000882959742 930110192 /nfs/dbraw/zinc/11/01/92/930110192.db2.gz OPZXDBULAKCNMA-NSHDSACASA-N 1 1 293.323 1.888 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959277 930111306 /nfs/dbraw/zinc/11/13/06/930111306.db2.gz AFVAVYNASFTDBZ-SECBINFHSA-N 1 1 294.311 1.283 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000886134585 930811811 /nfs/dbraw/zinc/81/18/11/930811811.db2.gz WRCOQOOPZRUDOR-UHFFFAOYSA-N 1 1 277.324 1.992 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000886134585 930811816 /nfs/dbraw/zinc/81/18/16/930811816.db2.gz WRCOQOOPZRUDOR-UHFFFAOYSA-N 1 1 277.324 1.992 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886188201 930821452 /nfs/dbraw/zinc/82/14/52/930821452.db2.gz MWNFXMDSURYAKY-CMPLNLGQSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886188201 930821456 /nfs/dbraw/zinc/82/14/56/930821456.db2.gz MWNFXMDSURYAKY-CMPLNLGQSA-N 1 1 265.313 1.989 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886223145 930828754 /nfs/dbraw/zinc/82/87/54/930828754.db2.gz HRXGTAKDNLFRQY-ZDUSSCGKSA-N 1 1 265.313 1.848 20 5 CDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886249568 930840676 /nfs/dbraw/zinc/84/06/76/930840676.db2.gz NLSIQDYHCZRGLG-ZYHUDNBSSA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000886281018 930848868 /nfs/dbraw/zinc/84/88/68/930848868.db2.gz QEJVBDMWKINHQO-MNOVXSKESA-N 1 1 265.313 1.989 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000886281018 930848872 /nfs/dbraw/zinc/84/88/72/930848872.db2.gz QEJVBDMWKINHQO-MNOVXSKESA-N 1 1 265.313 1.989 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000886830298 930970803 /nfs/dbraw/zinc/97/08/03/930970803.db2.gz OOLQTSUBBBMWBN-UHFFFAOYSA-N 1 1 264.329 1.692 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC001116823127 937474617 /nfs/dbraw/zinc/47/46/17/937474617.db2.gz AHVWZEGNJGHTJC-HUUCEWRRSA-N 1 1 292.335 1.475 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195346 931271252 /nfs/dbraw/zinc/27/12/52/931271252.db2.gz VKMXOTLXJPMMSP-HIFRSBDPSA-N 1 1 293.367 1.654 20 5 CDBDMO CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000843990089 931522110 /nfs/dbraw/zinc/52/21/10/931522110.db2.gz QWZRNCJENSLYTI-LBPRGKRZSA-N 1 1 285.388 1.765 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001246910814 932417870 /nfs/dbraw/zinc/41/78/70/932417870.db2.gz DIDHICGNWDKWIM-SNVBAGLBSA-N 1 1 268.313 1.459 20 5 CDBDMO COc1ccccc1O[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930471829 933380586 /nfs/dbraw/zinc/38/05/86/933380586.db2.gz VBKNYRJWTHOSGJ-GFCCVEGCSA-N 1 1 280.324 1.815 20 5 CDBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930471829 933380593 /nfs/dbraw/zinc/38/05/93/933380593.db2.gz VBKNYRJWTHOSGJ-GFCCVEGCSA-N 1 1 280.324 1.815 20 5 CDBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930754382 933443118 /nfs/dbraw/zinc/44/31/18/933443118.db2.gz UQYFAKHDJOGDQQ-GHMZBOCLSA-N 1 1 272.345 1.705 20 5 CDBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC[N+](=O)[O-] ZINC000930754382 933443124 /nfs/dbraw/zinc/44/31/24/933443124.db2.gz UQYFAKHDJOGDQQ-GHMZBOCLSA-N 1 1 272.345 1.705 20 5 CDBDMO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])cnn2C)CCCO1 ZINC001120037756 937775989 /nfs/dbraw/zinc/77/59/89/937775989.db2.gz KGNOPDMUAANDKR-LLVKDONJSA-N 1 1 297.359 1.241 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000037646944 934753511 /nfs/dbraw/zinc/75/35/11/934753511.db2.gz SDPVCNQMYKUZDW-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO C[C@@H]1CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800867012 935943594 /nfs/dbraw/zinc/94/35/94/935943594.db2.gz YJYFSJHRVUQFJK-GFCCVEGCSA-N 1 1 291.351 1.895 20 5 CDBDMO C[C@@H]1CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800867012 935943596 /nfs/dbraw/zinc/94/35/96/935943596.db2.gz YJYFSJHRVUQFJK-GFCCVEGCSA-N 1 1 291.351 1.895 20 5 CDBDMO O=C(NC1CC2(C1)CC([NH2+]CCCF)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001121081882 937856242 /nfs/dbraw/zinc/85/62/42/937856242.db2.gz UJDVFRRQKKXSQV-VTRUDKGBSA-N 1 1 299.346 1.028 20 5 CDBDMO [NH3+]Cc1ncn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001157929020 938564716 /nfs/dbraw/zinc/56/47/16/938564716.db2.gz XVVLTSHCDDYCPO-UHFFFAOYSA-N 1 1 289.082 1.336 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001159778922 938751926 /nfs/dbraw/zinc/75/19/26/938751926.db2.gz BVQRNDGMVXXOOM-MRVPVSSYSA-N 1 1 259.697 1.079 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001159785612 938752471 /nfs/dbraw/zinc/75/24/71/938752471.db2.gz QWDAFWWSBGCCTE-NSHDSACASA-N 1 1 275.312 1.579 20 5 CDBDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001160465529 938789352 /nfs/dbraw/zinc/78/93/52/938789352.db2.gz JVDZYAYSOJSZBZ-CNDDSTCGSA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331487 939026130 /nfs/dbraw/zinc/02/61/30/939026130.db2.gz QVBWRRFXPXVLJY-GFCCVEGCSA-N 1 1 250.302 1.886 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001163922803 939353146 /nfs/dbraw/zinc/35/31/46/939353146.db2.gz AZOPZHQQYYOPJK-UHFFFAOYSA-N 1 1 286.295 1.860 20 5 CDBDMO Nc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218237620 941048197 /nfs/dbraw/zinc/04/81/97/941048197.db2.gz PPLANPBMQQLRAB-SECBINFHSA-N 1 1 259.212 1.163 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046102 942120157 /nfs/dbraw/zinc/12/01/57/942120157.db2.gz FBKFHFAQJFWWEY-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO COC(=O)c1c(O[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001229043770 942411647 /nfs/dbraw/zinc/41/16/47/942411647.db2.gz BBBHPROGIBKKAY-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396417 942464972 /nfs/dbraw/zinc/46/49/72/942464972.db2.gz SZTBAVPZMGAEDC-JTQLQIEISA-N 1 1 252.270 1.773 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2O)C1 ZINC001229396417 942464975 /nfs/dbraw/zinc/46/49/75/942464975.db2.gz SZTBAVPZMGAEDC-JTQLQIEISA-N 1 1 252.270 1.773 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001233558267 943617135 /nfs/dbraw/zinc/61/71/35/943617135.db2.gz ZWXUZGAZANPZKO-WCQGTBRESA-N 1 1 291.307 1.481 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001233558267 943617136 /nfs/dbraw/zinc/61/71/36/943617136.db2.gz ZWXUZGAZANPZKO-WCQGTBRESA-N 1 1 291.307 1.481 20 5 CDBDMO C[N@H+]1CC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233597205 943623824 /nfs/dbraw/zinc/62/38/24/943623824.db2.gz JNLYEFIWLGRPKX-SSDOTTSWSA-N 1 1 258.224 1.956 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593154 947546285 /nfs/dbraw/zinc/54/62/85/947546285.db2.gz JMLMZPFUKTUSML-MGPQQGTHSA-N 1 1 280.299 1.467 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1CN ZINC001246913714 948516096 /nfs/dbraw/zinc/51/60/96/948516096.db2.gz KPSGAXPIAQUHOM-SMDDNHRTSA-N 1 1 263.341 1.949 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CN ZINC001246913714 948516101 /nfs/dbraw/zinc/51/61/01/948516101.db2.gz KPSGAXPIAQUHOM-SMDDNHRTSA-N 1 1 263.341 1.949 20 5 CDBDMO Cn1cc([N+](=O)[O-])c(N2CC[N@@H+](C)C3(CCCCC3)C2)n1 ZINC001307124741 956364803 /nfs/dbraw/zinc/36/48/03/956364803.db2.gz SCHHTMXHYXPIRV-UHFFFAOYSA-N 1 1 293.371 1.783 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)n1 ZINC001308163071 956483824 /nfs/dbraw/zinc/48/38/24/956483824.db2.gz YQGZXCUTLVQQOL-CHWSQXEVSA-N 1 1 294.355 1.825 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001333413822 958321024 /nfs/dbraw/zinc/32/10/24/958321024.db2.gz LSCCRWTYRWCDSZ-AWEZNQCLSA-N 1 1 296.371 1.440 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001333681739 958510905 /nfs/dbraw/zinc/51/09/05/958510905.db2.gz XXHHSZLMFUYCKD-JTQLQIEISA-N 1 1 282.296 1.530 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001333681739 958510913 /nfs/dbraw/zinc/51/09/13/958510913.db2.gz XXHHSZLMFUYCKD-JTQLQIEISA-N 1 1 282.296 1.530 20 5 CDBDMO C[NH+](C)Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)no1 ZINC001334655134 959269651 /nfs/dbraw/zinc/26/96/51/959269651.db2.gz XWDAUXKXIFNZGH-UHFFFAOYSA-N 1 1 291.263 1.864 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC001322491204 960237573 /nfs/dbraw/zinc/23/75/73/960237573.db2.gz VNRGANRAPSKPFO-SNVBAGLBSA-N 1 1 273.296 1.344 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001336684558 960463986 /nfs/dbraw/zinc/46/39/86/960463986.db2.gz JHIZGMFOCQNGIM-UWVGGRQHSA-N 1 1 265.317 1.367 20 5 CDBDMO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1C ZINC001337788139 961420604 /nfs/dbraw/zinc/42/06/04/961420604.db2.gz MQMBRUJAAAULMS-DTWKUNHWSA-N 1 1 265.317 1.467 20 5 CDBDMO CC[N@@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571652 969433397 /nfs/dbraw/zinc/43/33/97/969433397.db2.gz WSRROHQNTBXCAK-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571652 969433400 /nfs/dbraw/zinc/43/34/00/969433400.db2.gz WSRROHQNTBXCAK-WFASDCNBSA-N 1 1 293.367 1.560 20 5 CDBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609450621 342467929 /nfs/dbraw/zinc/46/79/29/342467929.db2.gz OQYLVAYDKNJTIS-JTQLQIEISA-N 1 1 292.339 1.095 20 5 CDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609450621 342467930 /nfs/dbraw/zinc/46/79/30/342467930.db2.gz OQYLVAYDKNJTIS-JTQLQIEISA-N 1 1 292.339 1.095 20 5 CDBDMO Cc1cncc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000593020288 342758575 /nfs/dbraw/zinc/75/85/75/342758575.db2.gz FTPGXKMRKJVYIJ-UHFFFAOYSA-N 1 1 299.334 1.689 20 5 CDBDMO CC[C@H]1COC(C)(C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000593057670 342760292 /nfs/dbraw/zinc/76/02/92/342760292.db2.gz WBGOETXSELTDNE-NSHDSACASA-N 1 1 282.344 1.681 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109511 342769113 /nfs/dbraw/zinc/76/91/13/342769113.db2.gz ZHMMGTGDUYYDRD-RYUDHWBXSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000514987038 362001550 /nfs/dbraw/zinc/00/15/50/362001550.db2.gz LRUIRZKEGDYRPG-GFCCVEGCSA-N 1 1 291.351 1.862 20 5 CDBDMO CC(C)c1ccc(CNC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600677544 342241994 /nfs/dbraw/zinc/24/19/94/342241994.db2.gz GFDSFEYABPLZFP-ZDUSSCGKSA-N 1 1 293.367 1.796 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000609383012 342264461 /nfs/dbraw/zinc/26/44/61/342264461.db2.gz ACJZCHACWBTJMH-SNVBAGLBSA-N 1 1 280.328 1.005 20 5 CDBDMO O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384318 342267879 /nfs/dbraw/zinc/26/78/79/342267879.db2.gz ILVBOEXQUNWCRX-NSHDSACASA-N 1 1 262.313 1.886 20 5 CDBDMO COC(=O)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595297645 343026931 /nfs/dbraw/zinc/02/69/31/343026931.db2.gz IFDPTWKSHJRNCD-UHFFFAOYSA-N 1 1 299.327 1.912 20 5 CDBDMO COC(=O)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595297645 343026932 /nfs/dbraw/zinc/02/69/32/343026932.db2.gz IFDPTWKSHJRNCD-UHFFFAOYSA-N 1 1 299.327 1.912 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000230379957 349777562 /nfs/dbraw/zinc/77/75/62/349777562.db2.gz AUNCUKUXIWIIIJ-ZDUSSCGKSA-N 1 1 282.344 1.337 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075721832 342312661 /nfs/dbraw/zinc/31/26/61/342312661.db2.gz LLFCQLJNBDXXHT-VIFPVBQESA-N 1 1 276.300 1.435 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388323 343052925 /nfs/dbraw/zinc/05/29/25/343052925.db2.gz GSJKMLBBYGKLQT-NXEZZACHSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388323 343052926 /nfs/dbraw/zinc/05/29/26/343052926.db2.gz GSJKMLBBYGKLQT-NXEZZACHSA-N 1 1 269.301 1.484 20 5 CDBDMO O=C1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000595388058 343053071 /nfs/dbraw/zinc/05/30/71/343053071.db2.gz TVEURIXFMHFRNZ-NSHDSACASA-N 1 1 289.335 1.695 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000595544823 343094673 /nfs/dbraw/zinc/09/46/73/343094673.db2.gz YMVFBNAEXLYKQO-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000595544823 343094675 /nfs/dbraw/zinc/09/46/75/343094675.db2.gz YMVFBNAEXLYKQO-ZJUUUORDSA-N 1 1 269.301 1.484 20 5 CDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000078456385 342337318 /nfs/dbraw/zinc/33/73/18/342337318.db2.gz IZFNFNBOIGTQPY-JTQLQIEISA-N 1 1 294.359 1.278 20 5 CDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595770126 343147056 /nfs/dbraw/zinc/14/70/56/343147056.db2.gz NIYANDFRWHPKDD-VXGBXAGGSA-N 1 1 280.324 1.819 20 5 CDBDMO CCC[N@@H+](CC)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596151306 343245918 /nfs/dbraw/zinc/24/59/18/343245918.db2.gz HEKAQVYHKFTDCY-UHFFFAOYSA-N 1 1 268.317 1.839 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596306873 343292948 /nfs/dbraw/zinc/29/29/48/343292948.db2.gz JBZXCTWFQHRFNN-SNVBAGLBSA-N 1 1 281.360 1.861 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000596569955 343344943 /nfs/dbraw/zinc/34/49/43/343344943.db2.gz DSXXNBJEFLZSOL-ZDUSSCGKSA-N 1 1 290.367 1.946 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000340859186 362188622 /nfs/dbraw/zinc/18/86/22/362188622.db2.gz AMVJBZJAGXMMGA-GFCCVEGCSA-N 1 1 295.387 1.896 20 5 CDBDMO CC[N@H+](Cc1ccoc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304343605 349831497 /nfs/dbraw/zinc/83/14/97/349831497.db2.gz ZRBXAJMTLYEKJT-ZDUSSCGKSA-N 1 1 294.311 1.267 20 5 CDBDMO CC1(C)CC[C@H](CO)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647370 343857059 /nfs/dbraw/zinc/85/70/59/343857059.db2.gz LELXPVXULMVUKS-LLVKDONJSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602074903 344326966 /nfs/dbraw/zinc/32/69/66/344326966.db2.gz UTBBQEXTEXTCRQ-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO COCC1([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602801646 344591531 /nfs/dbraw/zinc/59/15/31/344591531.db2.gz YGSNMEKECFFLNQ-UHFFFAOYSA-N 1 1 268.317 1.211 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000602826246 344611923 /nfs/dbraw/zinc/61/19/23/344611923.db2.gz JUBCOHJEOONTIA-STQMWFEESA-N 1 1 294.355 1.743 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265618748 362465885 /nfs/dbraw/zinc/46/58/85/362465885.db2.gz AOXHDQNWSPTQIM-CYBMUJFWSA-N 1 1 293.323 1.136 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265618748 362465893 /nfs/dbraw/zinc/46/58/93/362465893.db2.gz AOXHDQNWSPTQIM-CYBMUJFWSA-N 1 1 293.323 1.136 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000610276478 346240257 /nfs/dbraw/zinc/24/02/57/346240257.db2.gz ZGDPEABPKFPENO-GHMZBOCLSA-N 1 1 297.380 1.692 20 5 CDBDMO CC[NH+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000053548220 347746705 /nfs/dbraw/zinc/74/67/05/347746705.db2.gz ZDWIMNKMUWVZJG-UHFFFAOYSA-N 1 1 292.339 1.096 20 5 CDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccco1 ZINC000054373440 347821572 /nfs/dbraw/zinc/82/15/72/347821572.db2.gz RRPKXKLVGQSPGS-NSHDSACASA-N 1 1 292.295 1.549 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000055017275 347835270 /nfs/dbraw/zinc/83/52/70/347835270.db2.gz LHEULEQAPFNJOO-CYBMUJFWSA-N 1 1 293.323 1.184 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000055017275 347835273 /nfs/dbraw/zinc/83/52/73/347835273.db2.gz LHEULEQAPFNJOO-CYBMUJFWSA-N 1 1 293.323 1.184 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056334679 348816515 /nfs/dbraw/zinc/81/65/15/348816515.db2.gz IWYZQZGMIDZYJL-UHFFFAOYSA-N 1 1 277.284 1.248 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073854664 350076780 /nfs/dbraw/zinc/07/67/80/350076780.db2.gz YMJZWMPJQNTKFY-SECBINFHSA-N 1 1 278.312 1.137 20 5 CDBDMO CC[C@H](CSC)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091099382 180097289 /nfs/dbraw/zinc/09/72/89/180097289.db2.gz DJCWSOJKLXZJBW-SNVBAGLBSA-N 1 1 272.374 1.865 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000364121966 362953235 /nfs/dbraw/zinc/95/32/35/362953235.db2.gz BNMHLWPQUMCMTR-GFCCVEGCSA-N 1 1 282.344 1.540 20 5 CDBDMO COC[C@@H]1CCCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000364134009 362958560 /nfs/dbraw/zinc/95/85/60/362958560.db2.gz DDFGVKZAPSFUKI-GFCCVEGCSA-N 1 1 282.344 1.540 20 5 CDBDMO CC(C)NC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036781546 363012021 /nfs/dbraw/zinc/01/20/21/363012021.db2.gz VNDASTZHPBZOTP-UHFFFAOYSA-N 1 1 285.731 1.862 20 5 CDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292145791 198180920 /nfs/dbraw/zinc/18/09/20/198180920.db2.gz JUOKVEUQSSWQHV-LLVKDONJSA-N 1 1 295.339 1.260 20 5 CDBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000292178402 198192496 /nfs/dbraw/zinc/19/24/96/198192496.db2.gz MFVDVFAZYYRIIW-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000292178402 198192498 /nfs/dbraw/zinc/19/24/98/198192498.db2.gz 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Cc1nc(NC[C@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296990137 200056054 /nfs/dbraw/zinc/05/60/54/200056054.db2.gz FGFULOZPPKYKPE-JTQLQIEISA-N 1 1 295.343 1.073 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978927 189083183 /nfs/dbraw/zinc/08/31/83/189083183.db2.gz IMGOOXBZVYCFAY-CYBMUJFWSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000178025310 189086412 /nfs/dbraw/zinc/08/64/12/189086412.db2.gz KCSGUTZKDSJYMF-AWEZNQCLSA-N 1 1 294.307 1.418 20 5 CDBDMO C[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000178025310 189086413 /nfs/dbraw/zinc/08/64/13/189086413.db2.gz KCSGUTZKDSJYMF-AWEZNQCLSA-N 1 1 294.307 1.418 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000358127444 360786389 /nfs/dbraw/zinc/78/63/89/360786389.db2.gz HHWPXHZDJDHXBC-SECBINFHSA-N 1 1 269.301 1.646 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000178856846 189150973 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C[C@]1(CO)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000545398241 364073329 /nfs/dbraw/zinc/07/33/29/364073329.db2.gz DZYISXINXJWWIG-CQSZACIVSA-N 1 1 264.325 1.984 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340925240 364277790 /nfs/dbraw/zinc/27/77/90/364277790.db2.gz IRQNCOGIVKEYMW-SKDRFNHKSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340925240 364277795 /nfs/dbraw/zinc/27/77/95/364277795.db2.gz IRQNCOGIVKEYMW-SKDRFNHKSA-N 1 1 266.297 1.559 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249496951 364756428 /nfs/dbraw/zinc/75/64/28/364756428.db2.gz HCKCNYSJRFAAEY-STQMWFEESA-N 1 1 293.367 1.482 20 5 CDBDMO CC(C)[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481759 366887395 /nfs/dbraw/zinc/88/73/95/366887395.db2.gz FYABTPRCHQYQNT-LLVKDONJSA-N 1 1 267.329 1.733 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000457127192 365415604 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C[C@@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)C1(C)CC1 ZINC000331827311 204209821 /nfs/dbraw/zinc/20/98/21/204209821.db2.gz DGTBURILGFNADX-SECBINFHSA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)C1(C)CC1 ZINC000331827311 204209824 /nfs/dbraw/zinc/20/98/24/204209824.db2.gz DGTBURILGFNADX-SECBINFHSA-N 1 1 252.318 1.949 20 5 CDBDMO Cc1nn(C)c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000301304551 373504879 /nfs/dbraw/zinc/50/48/79/373504879.db2.gz SZYHFSCQVPBFGM-NSHDSACASA-N 1 1 281.360 1.415 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014523 374068884 /nfs/dbraw/zinc/06/88/84/374068884.db2.gz VJBTVFZJERLWKW-KCJUWKMLSA-N 1 1 263.301 1.279 20 5 CDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000112983665 374236569 /nfs/dbraw/zinc/23/65/69/374236569.db2.gz YXNMGKSULLPVMO-UHFFFAOYSA-N 1 1 277.324 1.926 20 5 CDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000423466159 374384024 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COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000186914448 536772202 /nfs/dbraw/zinc/77/22/02/536772202.db2.gz XVUUAJDKNAPCHY-RNCFNFMXSA-N 1 1 298.314 1.945 20 5 CDBDMO CO[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000751944731 574684171 /nfs/dbraw/zinc/68/41/71/574684171.db2.gz HQPROIBNNAIICX-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO CO[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000751944731 574684174 /nfs/dbraw/zinc/68/41/74/574684174.db2.gz HQPROIBNNAIICX-LBPRGKRZSA-N 1 1 276.296 1.623 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000767119110 576162128 /nfs/dbraw/zinc/16/21/28/576162128.db2.gz HHXDYEOJKBERBX-STQMWFEESA-N 1 1 298.364 1.038 20 5 CDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000767119110 576162132 /nfs/dbraw/zinc/16/21/32/576162132.db2.gz HHXDYEOJKBERBX-STQMWFEESA-N 1 1 298.364 1.038 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000893872158 618116839 /nfs/dbraw/zinc/11/68/39/618116839.db2.gz QPBBHHNTJNDWFD-ZDUSSCGKSA-N 1 1 277.324 1.348 20 5 CDBDMO CC(C)[N@H+](C)C[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893904076 618156867 /nfs/dbraw/zinc/15/68/67/618156867.db2.gz AONNZMGBJBFWTL-VIFPVBQESA-N 1 1 255.322 1.469 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893948402 618214316 /nfs/dbraw/zinc/21/43/16/618214316.db2.gz DAUUDUTWZKXRJK-WCBMZHEXSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893948402 618214319 /nfs/dbraw/zinc/21/43/19/618214319.db2.gz DAUUDUTWZKXRJK-WCBMZHEXSA-N 1 1 282.296 1.264 20 5 CDBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928560154 619382214 /nfs/dbraw/zinc/38/22/14/619382214.db2.gz OUKIPCKYCZIJQI-SECBINFHSA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928560154 619382216 /nfs/dbraw/zinc/38/22/16/619382216.db2.gz OUKIPCKYCZIJQI-SECBINFHSA-N 1 1 295.364 1.751 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000928564273 619399027 /nfs/dbraw/zinc/39/90/27/619399027.db2.gz UNCJOVMAHXLCJY-CYBMUJFWSA-N 1 1 291.351 1.693 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000928564273 619399030 /nfs/dbraw/zinc/39/90/30/619399030.db2.gz UNCJOVMAHXLCJY-CYBMUJFWSA-N 1 1 291.351 1.693 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)s1 ZINC000899867082 622492498 /nfs/dbraw/zinc/49/24/98/622492498.db2.gz SYUURHNKUQUSGW-UHFFFAOYSA-N 1 1 265.132 1.877 20 5 CDBDMO NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406560 624731636 /nfs/dbraw/zinc/73/16/36/624731636.db2.gz NYXLZUGNLVNGSL-GHMZBOCLSA-N 1 1 279.344 1.356 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000905051368 626387112 /nfs/dbraw/zinc/38/71/12/626387112.db2.gz UYBDYWYLAFNGAS-UHFFFAOYSA-N 1 1 278.356 1.828 20 5 CDBDMO C[N@H+](CC1CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919941439 632699369 /nfs/dbraw/zinc/69/93/69/632699369.db2.gz IPVGWSBCVDRTSB-UHFFFAOYSA-N 1 1 289.133 1.853 20 5 CDBDMO C[N@@H+](CC1CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919941439 632699374 /nfs/dbraw/zinc/69/93/74/632699374.db2.gz IPVGWSBCVDRTSB-UHFFFAOYSA-N 1 1 289.133 1.853 20 5 CDBDMO Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000105909068 1163694490 /nfs/dbraw/zinc/69/44/90/1163694490.db2.gz NBAMTAGEHMOFJY-ZDUSSCGKSA-N 1 1 277.280 1.714 20 5 CDBDMO Cc1nn(C[N@@H+](C)[C@@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000124969090 1165625312 /nfs/dbraw/zinc/62/53/12/1165625312.db2.gz DMYJQZGGZWFYJB-SNVBAGLBSA-N 1 1 270.358 1.803 20 5 CDBDMO Cc1nn(C[N@H+](C)[C@@H]2CCSC2)c(C)c1[N+](=O)[O-] ZINC000124969090 1165625319 /nfs/dbraw/zinc/62/53/19/1165625319.db2.gz DMYJQZGGZWFYJB-SNVBAGLBSA-N 1 1 270.358 1.803 20 5 CDBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001593466744 1174079148 /nfs/dbraw/zinc/07/91/48/1174079148.db2.gz GAKDKBSYIXBSML-PHIMTYICSA-N 1 1 286.295 1.227 20 5 CDBDMO COCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001754506946 1185649206 /nfs/dbraw/zinc/64/92/06/1185649206.db2.gz ZENPRFYHVGUFNV-UHFFFAOYSA-N 1 1 299.352 1.041 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632190 719176343 /nfs/dbraw/zinc/17/63/43/719176343.db2.gz DEASHRVTUUVGPQ-DTWKUNHWSA-N 1 1 295.299 1.427 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001164632190 719176347 /nfs/dbraw/zinc/17/63/47/719176347.db2.gz DEASHRVTUUVGPQ-DTWKUNHWSA-N 1 1 295.299 1.427 20 5 CDBDMO O=[N+]([O-])CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000930279912 1164864276 /nfs/dbraw/zinc/86/42/76/1164864276.db2.gz VNJMIEWTMKKWJU-GASCZTMLSA-N 1 1 275.352 1.327 20 5 CDBDMO Cc1ccc(CNC(=O)[C@H]2CSC[NH2+]2)cc1[N+](=O)[O-] ZINC000877241466 1166000578 /nfs/dbraw/zinc/00/05/78/1166000578.db2.gz QZSORGMYUWQROL-SNVBAGLBSA-N 1 1 281.337 1.182 20 5 CDBDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877595178 1166065111 /nfs/dbraw/zinc/06/51/11/1166065111.db2.gz ULTQKQLLWAXQCH-CYBMUJFWSA-N 1 1 291.351 1.922 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879964619 1166431142 /nfs/dbraw/zinc/43/11/42/1166431142.db2.gz LAFISGDODGXPDL-GFCCVEGCSA-N 1 1 296.371 1.583 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)C1 ZINC001173221641 912306833 /nfs/dbraw/zinc/30/68/33/912306833.db2.gz KUWKZYSEKPPQIP-FZMZJTMJSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@](C)(O)C1 ZINC001173221424 912307326 /nfs/dbraw/zinc/30/73/26/912307326.db2.gz IHOZSAHFMDOSII-IUODEOHRSA-N 1 1 294.351 1.609 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)CC1 ZINC001173223531 912312414 /nfs/dbraw/zinc/31/24/14/912312414.db2.gz ASAWCGBVIORDLY-NSHDSACASA-N 1 1 277.324 1.348 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)C1 ZINC001173226040 912314295 /nfs/dbraw/zinc/31/42/95/912314295.db2.gz KUWKZYSEKPPQIP-SMDDNHRTSA-N 1 1 264.325 1.983 20 5 CDBDMO CCOC(=O)c1ccc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167278381 895028434 /nfs/dbraw/zinc/02/84/34/895028434.db2.gz HPFBOKIWXQWNAC-NSHDSACASA-N 1 1 293.323 1.888 20 5 CDBDMO [NH3+][C@@H](CC(F)F)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238479 921478652 /nfs/dbraw/zinc/47/86/52/921478652.db2.gz RVILULWDCJKETQ-BYPYZUCNSA-N 1 1 274.183 1.893 20 5 CDBDMO COC(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921369 912063762 /nfs/dbraw/zinc/06/37/62/912063762.db2.gz PJVMPGOXGCXBEG-ZDUSSCGKSA-N 1 1 292.335 1.947 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830135591 936446907 /nfs/dbraw/zinc/44/69/07/936446907.db2.gz PIRMYQCOLVWKAS-MCIONIFRSA-N 1 1 289.335 1.519 20 5 CDBDMO Cc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C)c[nH+]1 ZINC000827166722 936497566 /nfs/dbraw/zinc/49/75/66/936497566.db2.gz RGTNYOQBMQCZDD-UHFFFAOYSA-N 1 1 265.313 1.894 20 5 CDBDMO CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516674 936560655 /nfs/dbraw/zinc/56/06/55/936560655.db2.gz GJSNOJBALLXWJH-CHWSQXEVSA-N 1 1 295.383 1.376 20 5 CDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839616135 936916757 /nfs/dbraw/zinc/91/67/57/936916757.db2.gz ZOHOFNYBAYXHSP-JHJVBQTASA-N 1 1 283.372 1.422 20 5 CDBDMO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616135 936916758 /nfs/dbraw/zinc/91/67/58/936916758.db2.gz ZOHOFNYBAYXHSP-JHJVBQTASA-N 1 1 283.372 1.422 20 5 CDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839616135 936916761 /nfs/dbraw/zinc/91/67/61/936916761.db2.gz ZOHOFNYBAYXHSP-JHJVBQTASA-N 1 1 283.372 1.422 20 5 CDBDMO COCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275118 926537959 /nfs/dbraw/zinc/53/79/59/926537959.db2.gz GIBXWRFUOPNVLT-GFCCVEGCSA-N 1 1 254.286 1.206 20 5 CDBDMO Cc1[nH+]ccn1CCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001156006594 927251573 /nfs/dbraw/zinc/25/15/73/927251573.db2.gz CINKMDBBTROMEW-UHFFFAOYSA-N 1 1 297.702 1.499 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011256 927616737 /nfs/dbraw/zinc/61/67/37/927616737.db2.gz IZACILMSOQLHGS-KKOKHZNYSA-N 1 1 252.314 1.628 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCC1 ZINC001168988611 927626886 /nfs/dbraw/zinc/62/68/86/927626886.db2.gz SWHPJQFQEIXZRU-RTXFEEFZSA-N 1 1 284.356 1.753 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCOCC23CCC3)C1 ZINC001169033931 927640301 /nfs/dbraw/zinc/64/03/01/927640301.db2.gz DUHNDWNNMUHZBA-RYUDHWBXSA-N 1 1 254.330 1.687 20 5 CDBDMO CC[N@H+](C)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049589 927666355 /nfs/dbraw/zinc/66/63/55/927666355.db2.gz WOIIXERJQPHXHI-TZMCWYRMSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+](C)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049589 927666360 /nfs/dbraw/zinc/66/63/60/927666360.db2.gz WOIIXERJQPHXHI-TZMCWYRMSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054632 927672294 /nfs/dbraw/zinc/67/22/94/927672294.db2.gz NBEMLNIGHOHWOC-YIYPIFLZSA-N 1 1 267.373 1.315 20 5 CDBDMO CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054632 927672301 /nfs/dbraw/zinc/67/23/01/927672301.db2.gz NBEMLNIGHOHWOC-YIYPIFLZSA-N 1 1 267.373 1.315 20 5 CDBDMO CCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054632 927672307 /nfs/dbraw/zinc/67/23/07/927672307.db2.gz NBEMLNIGHOHWOC-YIYPIFLZSA-N 1 1 267.373 1.315 20 5 CDBDMO CCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169054632 927672313 /nfs/dbraw/zinc/67/23/13/927672313.db2.gz NBEMLNIGHOHWOC-YIYPIFLZSA-N 1 1 267.373 1.315 20 5 CDBDMO C[N@@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852288045 927757974 /nfs/dbraw/zinc/75/79/74/927757974.db2.gz JZPBKQQMCRYHBG-CYBMUJFWSA-N 1 1 276.296 1.483 20 5 CDBDMO C[N@H+](Cc1c[nH]cn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852288045 927757979 /nfs/dbraw/zinc/75/79/79/927757979.db2.gz JZPBKQQMCRYHBG-CYBMUJFWSA-N 1 1 276.296 1.483 20 5 CDBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586730 927769959 /nfs/dbraw/zinc/76/99/59/927769959.db2.gz OZUHBSJKSZEWJJ-LBPRGKRZSA-N 1 1 295.339 1.214 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156649571 928888940 /nfs/dbraw/zinc/88/89/40/928888940.db2.gz YUWBSIHXQOEAOF-SCSAIBSYSA-N 1 1 278.099 1.447 20 5 CDBDMO CC1(C)CC[N@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000788377409 929514776 /nfs/dbraw/zinc/51/47/76/929514776.db2.gz HWOSJNUPRUALDD-UHFFFAOYSA-N 1 1 270.358 1.966 20 5 CDBDMO CC1(C)CC[N@@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000788377409 929514779 /nfs/dbraw/zinc/51/47/79/929514779.db2.gz HWOSJNUPRUALDD-UHFFFAOYSA-N 1 1 270.358 1.966 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000882487438 930013075 /nfs/dbraw/zinc/01/30/75/930013075.db2.gz VYERAUFOHGURNR-NSHDSACASA-N 1 1 281.287 1.558 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000882492174 930019405 /nfs/dbraw/zinc/01/94/05/930019405.db2.gz PWJXUVQWIBOKJM-SMDDNHRTSA-N 1 1 291.351 1.909 20 5 CDBDMO C[N@@H+](CCO)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000884825061 930638819 /nfs/dbraw/zinc/63/88/19/930638819.db2.gz CMVGXCULUHOILM-UHFFFAOYSA-N 1 1 273.720 1.584 20 5 CDBDMO CCO[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016429 930789410 /nfs/dbraw/zinc/78/94/10/930789410.db2.gz FDIUFILNLNXEAM-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO CCO[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886016429 930789414 /nfs/dbraw/zinc/78/94/14/930789414.db2.gz FDIUFILNLNXEAM-GFCCVEGCSA-N 1 1 265.313 1.991 20 5 CDBDMO C[C@@H]1C[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886032565 930793149 /nfs/dbraw/zinc/79/31/49/930793149.db2.gz JCRQZXCNWZTOFX-YPMHNXCESA-N 1 1 278.356 1.904 20 5 CDBDMO CC(C)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1C ZINC000886310478 930855646 /nfs/dbraw/zinc/85/56/46/930855646.db2.gz MAXWHQFVVZSODK-CYBMUJFWSA-N 1 1 278.356 1.762 20 5 CDBDMO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000887401256 931082042 /nfs/dbraw/zinc/08/20/42/931082042.db2.gz RVRMIVQXSFAJRJ-NWDGAFQWSA-N 1 1 291.351 1.766 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822523426 931166628 /nfs/dbraw/zinc/16/66/28/931166628.db2.gz MLWYPLDOXGMDTL-GFCCVEGCSA-N 1 1 285.388 1.670 20 5 CDBDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928567339 933159941 /nfs/dbraw/zinc/15/99/41/933159941.db2.gz GUCPXVFLOBYOAK-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928567339 933159945 /nfs/dbraw/zinc/15/99/45/933159945.db2.gz GUCPXVFLOBYOAK-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO C[C@@H](O)[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852143 933280178 /nfs/dbraw/zinc/28/01/78/933280178.db2.gz FWJQEJHRDDGUCQ-YGRLFVJLSA-N 1 1 280.324 1.301 20 5 CDBDMO Cc1noc(C[C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)n1 ZINC001119852181 937760231 /nfs/dbraw/zinc/76/02/31/937760231.db2.gz SBNFEUUQQFOBDP-LBPRGKRZSA-N 1 1 276.296 1.528 20 5 CDBDMO CC[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316664 935022620 /nfs/dbraw/zinc/02/26/20/935022620.db2.gz NUNIAIPEVZWOBU-WFASDCNBSA-N 1 1 293.367 1.654 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001156639809 938399207 /nfs/dbraw/zinc/39/92/07/938399207.db2.gz VMZFHMBGKJUDGE-RXMQYKEDSA-N 1 1 289.748 1.516 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272552 938473471 /nfs/dbraw/zinc/47/34/71/938473471.db2.gz OHBYWCWWRKCWSM-CABZTGNLSA-N 1 1 277.328 1.102 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001158223032 938596723 /nfs/dbraw/zinc/59/67/23/938596723.db2.gz AHFMTLBZGNUBOO-NSHDSACASA-N 1 1 292.339 1.908 20 5 CDBDMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001158223032 938596725 /nfs/dbraw/zinc/59/67/25/938596725.db2.gz AHFMTLBZGNUBOO-NSHDSACASA-N 1 1 292.339 1.908 20 5 CDBDMO C[C@@H](OCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224548745 941767934 /nfs/dbraw/zinc/76/79/34/941767934.db2.gz FMFYEWCXEWWDFK-CYBMUJFWSA-N 1 1 293.367 1.920 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430905 941859141 /nfs/dbraw/zinc/85/91/41/941859141.db2.gz HTOZRHBEMPUEIP-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430905 941859144 /nfs/dbraw/zinc/85/91/44/941859144.db2.gz HTOZRHBEMPUEIP-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226269668 941978460 /nfs/dbraw/zinc/97/84/60/941978460.db2.gz IPIHAYGIMIIWNZ-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226757879 942063705 /nfs/dbraw/zinc/06/37/05/942063705.db2.gz YKACLSNEPVMGGB-JTQLQIEISA-N 1 1 269.276 1.992 20 5 CDBDMO CC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258869 942159428 /nfs/dbraw/zinc/15/94/28/942159428.db2.gz WGVNHQVAVZRGAO-JHZNUDOXSA-N 1 1 295.383 1.589 20 5 CDBDMO CC[NH+](CC)C[C@@H](C)Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227693142 942205126 /nfs/dbraw/zinc/20/51/26/942205126.db2.gz MEZPYAMTDJOKAA-SECBINFHSA-N 1 1 293.327 1.975 20 5 CDBDMO COc1cccc([N+](=O)[O-])c1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001227702002 942206502 /nfs/dbraw/zinc/20/65/02/942206502.db2.gz RQWQRUUKFGGHOE-LLVKDONJSA-N 1 1 296.323 1.703 20 5 CDBDMO CC[NH+](CC)C[C@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229375769 942460341 /nfs/dbraw/zinc/46/03/41/942460341.db2.gz LKQUVPPOZQEHDY-QMMMGPOBSA-N 1 1 284.316 1.508 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230311838 942604497 /nfs/dbraw/zinc/60/44/97/942604497.db2.gz AUUFCHPQERBQFU-SECBINFHSA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@H](C[NH+](C)C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230596826 942652911 /nfs/dbraw/zinc/65/29/11/942652911.db2.gz USVDVHSNZZVVJO-MRVPVSSYSA-N 1 1 264.285 1.800 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001262684663 943669350 /nfs/dbraw/zinc/66/93/50/943669350.db2.gz AXMRXBJAXFGARC-SNVBAGLBSA-N 1 1 279.344 1.350 20 5 CDBDMO C[C@H](NCC[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262256842 946551376 /nfs/dbraw/zinc/55/13/76/946551376.db2.gz WJHNWBKETUPCQH-RYUDHWBXSA-N 1 1 255.362 1.506 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CO)C1 ZINC001254562815 947524625 /nfs/dbraw/zinc/52/46/25/947524625.db2.gz PFYCDJBPAQQETG-NWDGAFQWSA-N 1 1 264.325 1.840 20 5 CDBDMO C[C@@H](C[NH3+])CN(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580592 947537235 /nfs/dbraw/zinc/53/72/35/947537235.db2.gz GSQRRCKAEQSGNH-HZMBPMFUSA-N 1 1 263.341 1.589 20 5 CDBDMO C[C@H]1COCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598596 947547579 /nfs/dbraw/zinc/54/75/79/947547579.db2.gz LADIXGRLDYISBX-HZMBPMFUSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@H]1COCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598596 947547591 /nfs/dbraw/zinc/54/75/91/947547591.db2.gz LADIXGRLDYISBX-HZMBPMFUSA-N 1 1 262.309 1.783 20 5 CDBDMO NC(=O)[C@@H]1CCCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599934 947550652 /nfs/dbraw/zinc/55/06/52/947550652.db2.gz MZODYEBBAHMOLM-KBPBESRZSA-N 1 1 289.335 1.402 20 5 CDBDMO [NH3+][C@@H](CC1CC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248197369 948969618 /nfs/dbraw/zinc/96/96/18/948969618.db2.gz OYXRAFPLDLSNLW-QMMMGPOBSA-N 1 1 293.258 1.979 20 5 CDBDMO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001325743534 954053233 /nfs/dbraw/zinc/05/32/33/954053233.db2.gz NQBDDDFMXHBMOP-NXEZZACHSA-N 1 1 266.345 1.683 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001303990413 956146896 /nfs/dbraw/zinc/14/68/96/956146896.db2.gz XUIYXLFGYJPLNO-ZDUSSCGKSA-N 1 1 291.351 1.973 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCOCC1 ZINC001322525323 960251343 /nfs/dbraw/zinc/25/13/43/960251343.db2.gz YNCGQCYJWJYCRX-NSHDSACASA-N 1 1 294.355 1.100 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483345 961226094 /nfs/dbraw/zinc/22/60/94/961226094.db2.gz YWYNUPPKXIYINA-ZDUSSCGKSA-N 1 1 277.324 1.809 20 5 CDBDMO CC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC001337845604 961463520 /nfs/dbraw/zinc/46/35/20/961463520.db2.gz QEERFHZWLMRBAH-UHFFFAOYSA-N 1 1 281.312 1.744 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001347500631 965559647 /nfs/dbraw/zinc/55/96/47/965559647.db2.gz COCKEFAWGBTZJX-NSHDSACASA-N 1 1 295.314 1.948 20 5 CDBDMO Cc1cc(NC(=O)C2([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001351115258 966860401 /nfs/dbraw/zinc/86/04/01/966860401.db2.gz CCMBMWMQCYNVQN-UHFFFAOYSA-N 1 1 263.297 1.936 20 5 CDBDMO C[N@H+]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])cn3)C2)C1 ZINC001515768689 969915892 /nfs/dbraw/zinc/91/58/92/969915892.db2.gz OJSBZOPUCJWMTD-ZDUSSCGKSA-N 1 1 277.328 1.104 20 5 CDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000810616526 1163251298 /nfs/dbraw/zinc/25/12/98/1163251298.db2.gz VTCPUILHPHVZPL-VIFPVBQESA-N 1 1 292.295 1.684 20 5 CDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000810616051 1163251348 /nfs/dbraw/zinc/25/13/48/1163251348.db2.gz SWEFTJVLOOMCHK-VIFPVBQESA-N 1 1 292.295 1.684 20 5 CDBDMO COC[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000601139605 342479705 /nfs/dbraw/zinc/47/97/05/342479705.db2.gz JTHWLGQLZRKYNR-NSHDSACASA-N 1 1 291.307 1.638 20 5 CDBDMO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000533213199 282103206 /nfs/dbraw/zinc/10/32/06/282103206.db2.gz BEMDDIUEZCJRMB-JTQLQIEISA-N 1 1 293.323 1.372 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000533213199 282103209 /nfs/dbraw/zinc/10/32/09/282103209.db2.gz BEMDDIUEZCJRMB-JTQLQIEISA-N 1 1 293.323 1.372 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000609175380 342092959 /nfs/dbraw/zinc/09/29/59/342092959.db2.gz SCQOYHJQYHDMEP-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@@H+](C)C1 ZINC000592830950 342741433 /nfs/dbraw/zinc/74/14/33/342741433.db2.gz JCNANGNTJCJVHZ-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593058815 342760724 /nfs/dbraw/zinc/76/07/24/342760724.db2.gz PABXFJKQUWHNQW-AAEUAGOBSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593058815 342760725 /nfs/dbraw/zinc/76/07/25/342760725.db2.gz PABXFJKQUWHNQW-AAEUAGOBSA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)CO1 ZINC000593065158 342761689 /nfs/dbraw/zinc/76/16/89/342761689.db2.gz YMQKMNAQASPMCW-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)CO1 ZINC000593065158 342761691 /nfs/dbraw/zinc/76/16/91/342761691.db2.gz YMQKMNAQASPMCW-MNOVXSKESA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593694411 342824093 /nfs/dbraw/zinc/82/40/93/342824093.db2.gz MCGQEJDRGRXFQL-JTQLQIEISA-N 1 1 296.323 1.569 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000594016813 342865988 /nfs/dbraw/zinc/86/59/88/342865988.db2.gz IXCXSSCCPCIDTF-NSHDSACASA-N 1 1 268.317 1.028 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003773 342995434 /nfs/dbraw/zinc/99/54/34/342995434.db2.gz JZIFBBPWAHEKOR-ZJUUUORDSA-N 1 1 295.339 1.779 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000075061350 342307468 /nfs/dbraw/zinc/30/74/68/342307468.db2.gz FXAWAHDZFKXBGA-NEPJUHHUSA-N 1 1 276.340 1.971 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CO)CC1 ZINC000595299652 343027900 /nfs/dbraw/zinc/02/79/00/343027900.db2.gz XEXOLDGBXSPQRP-UHFFFAOYSA-N 1 1 268.288 1.938 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307101 343031858 /nfs/dbraw/zinc/03/18/58/343031858.db2.gz RXCLAUSGSZEQRK-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307101 343031859 /nfs/dbraw/zinc/03/18/59/343031859.db2.gz RXCLAUSGSZEQRK-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595396489 343047821 /nfs/dbraw/zinc/04/78/21/343047821.db2.gz VWYGRIVMPXMGSY-QWRGUYRKSA-N 1 1 281.312 1.750 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399860 343048469 /nfs/dbraw/zinc/04/84/69/343048469.db2.gz GFUFZFHERLSRLY-GZMMTYOYSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399860 343048471 /nfs/dbraw/zinc/04/84/71/343048471.db2.gz GFUFZFHERLSRLY-GZMMTYOYSA-N 1 1 254.261 1.689 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000595399359 343048789 /nfs/dbraw/zinc/04/87/89/343048789.db2.gz ZOHGPCRRIVFPMH-WPRPVWTQSA-N 1 1 269.301 1.627 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595449631 343054361 /nfs/dbraw/zinc/05/43/61/343054361.db2.gz PCYZVBSBICWMPK-SECBINFHSA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000595449631 343054363 /nfs/dbraw/zinc/05/43/63/343054363.db2.gz PCYZVBSBICWMPK-SECBINFHSA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000595511668 343081809 /nfs/dbraw/zinc/08/18/09/343081809.db2.gz IYRUODADGMADNA-RKDXNWHRSA-N 1 1 255.274 1.140 20 5 CDBDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595523238 343088913 /nfs/dbraw/zinc/08/89/13/343088913.db2.gz PXPZZPKPBRLODA-NXEZZACHSA-N 1 1 269.301 1.938 20 5 CDBDMO COCCOCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595491432 343076096 /nfs/dbraw/zinc/07/60/96/343076096.db2.gz WJVCYQYTGAUYQC-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO COCCOCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595491432 343076099 /nfs/dbraw/zinc/07/60/99/343076099.db2.gz WJVCYQYTGAUYQC-UHFFFAOYSA-N 1 1 286.303 1.829 20 5 CDBDMO CC[C@H](C)[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593190 343095956 /nfs/dbraw/zinc/09/59/56/343095956.db2.gz OOAZGUKTMQJAKO-JQWIXIFHSA-N 1 1 270.333 1.273 20 5 CDBDMO O=c1[nH]ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076859 343226674 /nfs/dbraw/zinc/22/66/74/343226674.db2.gz QTEVZTYUYQSUBV-KOLCDFICSA-N 1 1 278.312 1.734 20 5 CDBDMO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000596157370 343254886 /nfs/dbraw/zinc/25/48/86/343254886.db2.gz YRJZISOZHRMALQ-DTWKUNHWSA-N 1 1 278.312 1.733 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000081362899 342367441 /nfs/dbraw/zinc/36/74/41/342367441.db2.gz HDGJFUIGNNIGJH-NSHDSACASA-N 1 1 295.339 1.992 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170204 343258705 /nfs/dbraw/zinc/25/87/05/343258705.db2.gz XYTXTHKKQFDEOK-GHMZBOCLSA-N 1 1 292.339 1.616 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596270202 343281409 /nfs/dbraw/zinc/28/14/09/343281409.db2.gz WDDDDDWUTWFPLQ-JTQLQIEISA-N 1 1 265.317 1.305 20 5 CDBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000596430338 343319292 /nfs/dbraw/zinc/31/92/92/343319292.db2.gz LSFZLPQOBUPXDI-QWRGUYRKSA-N 1 1 280.328 1.511 20 5 CDBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)[C@@H](C)CO1 ZINC000596430338 343319294 /nfs/dbraw/zinc/31/92/94/343319294.db2.gz LSFZLPQOBUPXDI-QWRGUYRKSA-N 1 1 280.328 1.511 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000596569954 343344929 /nfs/dbraw/zinc/34/49/29/343344929.db2.gz DSXXNBJEFLZSOL-CYBMUJFWSA-N 1 1 290.367 1.946 20 5 CDBDMO CCc1nn(C)c(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000092828282 342419379 /nfs/dbraw/zinc/41/93/79/342419379.db2.gz VFLXFXZQDFQEIQ-UHFFFAOYSA-N 1 1 281.360 1.421 20 5 CDBDMO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2nn[nH]c2C1 ZINC000597249508 343498591 /nfs/dbraw/zinc/49/85/91/343498591.db2.gz KYEDNQNTEVMNJS-HYXAFXHYSA-N 1 1 285.307 1.784 20 5 CDBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2nn[nH]c2C1 ZINC000597249508 343498594 /nfs/dbraw/zinc/49/85/94/343498594.db2.gz KYEDNQNTEVMNJS-HYXAFXHYSA-N 1 1 285.307 1.784 20 5 CDBDMO CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602684082 344530057 /nfs/dbraw/zinc/53/00/57/344530057.db2.gz FNBSWTOMOPDGOB-ZYHUDNBSSA-N 1 1 282.344 1.575 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000602800351 344589812 /nfs/dbraw/zinc/58/98/12/344589812.db2.gz LPPWBYXFSLGVLI-CHWSQXEVSA-N 1 1 294.355 1.458 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(C)n1 ZINC000602795560 344586514 /nfs/dbraw/zinc/58/65/14/344586514.db2.gz TVJGAUCYNAXFPO-UHFFFAOYSA-N 1 1 289.339 1.935 20 5 CDBDMO Cc1nnc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602806994 344615803 /nfs/dbraw/zinc/61/58/03/344615803.db2.gz GTVHKOOYGRJZDG-SSDOTTSWSA-N 1 1 296.356 1.610 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC1CCOCC1 ZINC000602787781 344599921 /nfs/dbraw/zinc/59/99/21/344599921.db2.gz JTBDKNREEONJJW-UHFFFAOYSA-N 1 1 296.371 1.848 20 5 CDBDMO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293491993 362566253 /nfs/dbraw/zinc/56/62/53/362566253.db2.gz SUKGVWUBWSWTSP-BETUJISGSA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293491993 362566256 /nfs/dbraw/zinc/56/62/56/362566256.db2.gz SUKGVWUBWSWTSP-BETUJISGSA-N 1 1 293.367 1.998 20 5 CDBDMO CC[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611091914 346604917 /nfs/dbraw/zinc/60/49/17/346604917.db2.gz COJCQJBOACNXGQ-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611222044 346696598 /nfs/dbraw/zinc/69/65/98/346696598.db2.gz PWKFTLDEXJTQJU-MNOVXSKESA-N 1 1 264.329 1.909 20 5 CDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089305009 346755611 /nfs/dbraw/zinc/75/56/11/346755611.db2.gz ATGWORVANMFCPR-AWEZNQCLSA-N 1 1 291.351 1.738 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000612792252 347281372 /nfs/dbraw/zinc/28/13/72/347281372.db2.gz GBKKBMQOUQCICR-UWVGGRQHSA-N 1 1 265.317 1.304 20 5 CDBDMO O=C(CC[N@@H+]1CC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128516488 187375039 /nfs/dbraw/zinc/37/50/39/187375039.db2.gz MJQGRDHOXUCJSB-JTQLQIEISA-N 1 1 297.286 1.129 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066124540 347477854 /nfs/dbraw/zinc/47/78/54/347477854.db2.gz DGFQEQPBIGCCBS-NSHDSACASA-N 1 1 297.359 1.028 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000066958793 347547275 /nfs/dbraw/zinc/54/72/75/347547275.db2.gz LMEXOBOJRAHVPE-UHFFFAOYSA-N 1 1 297.380 1.998 20 5 CDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000109626581 186268462 /nfs/dbraw/zinc/26/84/62/186268462.db2.gz BQFPKHBYJUJPEG-VIFPVBQESA-N 1 1 295.343 1.047 20 5 CDBDMO Cc1cc(OCc2noc(C[NH3+])n2)c(Cl)cc1[N+](=O)[O-] ZINC000312555165 350784908 /nfs/dbraw/zinc/78/49/08/350784908.db2.gz HFKAVSHCTOACHU-UHFFFAOYSA-N 1 1 298.686 1.977 20 5 CDBDMO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292229434 198210038 /nfs/dbraw/zinc/21/00/38/198210038.db2.gz PLMITYXUUKURKA-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152413861 188016800 /nfs/dbraw/zinc/01/68/00/188016800.db2.gz HPHULVDBJNLFQH-ZJUUUORDSA-N 1 1 293.327 1.017 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358592582 356309507 /nfs/dbraw/zinc/30/95/07/356309507.db2.gz HWZIZPIKNMZMRS-UHFFFAOYSA-N 1 1 294.355 1.654 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185676215 357566029 /nfs/dbraw/zinc/56/60/29/357566029.db2.gz JQRLGMKOEUQBHK-ZYHUDNBSSA-N 1 1 252.318 1.912 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000566923342 358585084 /nfs/dbraw/zinc/58/50/84/358585084.db2.gz JIVRHFPVPQPGRS-UHFFFAOYSA-N 1 1 299.334 1.976 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000566923342 358585088 /nfs/dbraw/zinc/58/50/88/358585088.db2.gz JIVRHFPVPQPGRS-UHFFFAOYSA-N 1 1 299.334 1.976 20 5 CDBDMO CCOc1cc(NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000162659002 359149545 /nfs/dbraw/zinc/14/95/45/359149545.db2.gz FTLIRDLYEWOQJY-UHFFFAOYSA-N 1 1 275.255 1.999 20 5 CDBDMO CCO[C@H]1C[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000571744077 359608517 /nfs/dbraw/zinc/60/85/17/359608517.db2.gz XXLZQFRJFIBIQE-JQWIXIFHSA-N 1 1 296.323 1.879 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439668 359775730 /nfs/dbraw/zinc/77/57/30/359775730.db2.gz UDLRZBQAFBKKLN-DTWKUNHWSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439668 359775734 /nfs/dbraw/zinc/77/57/34/359775734.db2.gz UDLRZBQAFBKKLN-DTWKUNHWSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439668 359775736 /nfs/dbraw/zinc/77/57/36/359775736.db2.gz UDLRZBQAFBKKLN-DTWKUNHWSA-N 1 1 295.343 1.045 20 5 CDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408439668 359775741 /nfs/dbraw/zinc/77/57/41/359775741.db2.gz UDLRZBQAFBKKLN-DTWKUNHWSA-N 1 1 295.343 1.045 20 5 CDBDMO O=C1NCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050395642 359785700 /nfs/dbraw/zinc/78/57/00/359785700.db2.gz IUXNIUITPMKAIE-NSHDSACASA-N 1 1 283.715 1.616 20 5 CDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342725742 359968664 /nfs/dbraw/zinc/96/86/64/359968664.db2.gz KQKFXPVRKLHFJB-JTQLQIEISA-N 1 1 285.250 1.778 20 5 CDBDMO Cc1cc(NCCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000073000251 360020691 /nfs/dbraw/zinc/02/06/91/360020691.db2.gz JPEAQUIEOUIYJJ-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177088635 189027875 /nfs/dbraw/zinc/02/78/75/189027875.db2.gz ZVICZJFWFCPEDX-ZYHUDNBSSA-N 1 1 289.335 1.950 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177088618 189027950 /nfs/dbraw/zinc/02/79/50/189027950.db2.gz ZVICZJFWFCPEDX-JQWIXIFHSA-N 1 1 289.335 1.950 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112333603 360523188 /nfs/dbraw/zinc/52/31/88/360523188.db2.gz AMRVSFGOYWCVND-UHFFFAOYSA-N 1 1 294.355 1.838 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000369205404 283666844 /nfs/dbraw/zinc/66/68/44/283666844.db2.gz JNDLQKQLJAMBFW-GFCCVEGCSA-N 1 1 292.339 1.088 20 5 CDBDMO Cc1nc(NCCn2cc([N+](=O)[O-])cn2)c(C)c(C)[nH+]1 ZINC000301715551 201157633 /nfs/dbraw/zinc/15/76/33/201157633.db2.gz JUBCPZOZNBZQFU-UHFFFAOYSA-N 1 1 276.300 1.619 20 5 CDBDMO Nc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280329979 364035565 /nfs/dbraw/zinc/03/55/65/364035565.db2.gz VEKRTDLMDDDZKC-UHFFFAOYSA-N 1 1 290.323 1.169 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340918791 364204704 /nfs/dbraw/zinc/20/47/04/364204704.db2.gz CDPHPFOBSLHOIU-JQWIXIFHSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340918791 364204709 /nfs/dbraw/zinc/20/47/09/364204709.db2.gz CDPHPFOBSLHOIU-JQWIXIFHSA-N 1 1 293.323 1.297 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000174641356 364251098 /nfs/dbraw/zinc/25/10/98/364251098.db2.gz PWJIHLOIMYIGIQ-UHFFFAOYSA-N 1 1 294.355 1.639 20 5 CDBDMO Cn1nncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351624444 364261238 /nfs/dbraw/zinc/26/12/38/364261238.db2.gz XMYSKXMHVNZBDE-UHFFFAOYSA-N 1 1 275.312 1.748 20 5 CDBDMO Cn1cc(Cl)cc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120134925 364659290 /nfs/dbraw/zinc/65/92/90/364659290.db2.gz LATAPTMJJZFZNL-UHFFFAOYSA-N 1 1 297.746 1.915 20 5 CDBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000120134925 364659298 /nfs/dbraw/zinc/65/92/98/364659298.db2.gz LATAPTMJJZFZNL-UHFFFAOYSA-N 1 1 297.746 1.915 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813698 365001967 /nfs/dbraw/zinc/00/19/67/365001967.db2.gz HYOOUMFKVZYADL-ZWNOBZJWSA-N 1 1 266.297 1.286 20 5 CDBDMO COCCC[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000275392234 193020103 /nfs/dbraw/zinc/02/01/03/193020103.db2.gz CQKWBYPUVGQYRO-UHFFFAOYSA-N 1 1 298.339 1.304 20 5 CDBDMO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])ccc3=O)cn21 ZINC000031672682 365357521 /nfs/dbraw/zinc/35/75/21/365357521.db2.gz AZTIUORDCQDBES-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO CC[C@H](C)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548716 367638466 /nfs/dbraw/zinc/63/84/66/367638466.db2.gz OJPITTJICXOQID-NSHDSACASA-N 1 1 267.329 1.734 20 5 CDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000348838491 368069174 /nfs/dbraw/zinc/06/91/74/368069174.db2.gz PMPCWAZITCJGJL-XQRVVYSFSA-N 1 1 263.297 1.415 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000330616664 203041867 /nfs/dbraw/zinc/04/18/67/203041867.db2.gz FCCVLIRSBHNDGK-CYBMUJFWSA-N 1 1 282.365 1.895 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633509 244299547 /nfs/dbraw/zinc/29/95/47/244299547.db2.gz JIFJOUNSSBGTIM-SNVBAGLBSA-N 1 1 292.339 1.224 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000295329719 369960596 /nfs/dbraw/zinc/96/05/96/369960596.db2.gz XKZRVRLPGAOHOX-CYBMUJFWSA-N 1 1 281.287 1.368 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000441376590 370217560 /nfs/dbraw/zinc/21/75/60/370217560.db2.gz DRJWTHBKUVYBAD-ZANVPECISA-N 1 1 293.323 1.218 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000441376586 370217920 /nfs/dbraw/zinc/21/79/20/370217920.db2.gz DRJWTHBKUVYBAD-RNCFNFMXSA-N 1 1 293.323 1.218 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000441389033 370274717 /nfs/dbraw/zinc/27/47/17/370274717.db2.gz VPOMGPJJNDZPHG-GFCCVEGCSA-N 1 1 268.317 1.027 20 5 CDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1[C@@H]1CCCO1 ZINC000368073288 371506879 /nfs/dbraw/zinc/50/68/79/371506879.db2.gz KZUAHTBWFLRMDF-AAEUAGOBSA-N 1 1 294.355 1.681 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624429 373192824 /nfs/dbraw/zinc/19/28/24/373192824.db2.gz CGRJCBOOAKEBSG-ZWNOBZJWSA-N 1 1 250.298 1.970 20 5 CDBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190978068 373429847 /nfs/dbraw/zinc/42/98/47/373429847.db2.gz PZFJLLGZSNITSO-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190978068 373429852 /nfs/dbraw/zinc/42/98/52/373429852.db2.gz PZFJLLGZSNITSO-UHFFFAOYSA-N 1 1 298.314 1.707 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934099 374235054 /nfs/dbraw/zinc/23/50/54/374235054.db2.gz MXCLTTMCVJPHPG-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000248934099 374235058 /nfs/dbraw/zinc/23/50/58/374235058.db2.gz MXCLTTMCVJPHPG-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000299002150 374293903 /nfs/dbraw/zinc/29/39/03/374293903.db2.gz JVZNTQJFZYBTDQ-GXSJLCMTSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952499 374307890 /nfs/dbraw/zinc/30/78/90/374307890.db2.gz XZJKGGLJQJYRMJ-CHWSQXEVSA-N 1 1 294.351 1.924 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000368588238 374319766 /nfs/dbraw/zinc/31/97/66/374319766.db2.gz DFFRFEJGVBLZHP-GXFFZTMASA-N 1 1 290.323 1.156 20 5 CDBDMO CC[C@@H]([NH2+]C[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480669 374386214 /nfs/dbraw/zinc/38/62/14/374386214.db2.gz PMKACEYROOLHFQ-HUUCEWRRSA-N 1 1 292.383 1.539 20 5 CDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143719 374439181 /nfs/dbraw/zinc/43/91/81/374439181.db2.gz YUURPDXOIPJNDC-UHFFFAOYSA-N 1 1 278.268 1.513 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277098940 374772354 /nfs/dbraw/zinc/77/23/54/374772354.db2.gz CGMTUFLTCXLTFZ-SNVBAGLBSA-N 1 1 295.343 1.183 20 5 CDBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331515840 374968348 /nfs/dbraw/zinc/96/83/48/374968348.db2.gz NLCCTAHOLXSOPQ-GFCCVEGCSA-N 1 1 289.335 1.870 20 5 CDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000332458385 375031922 /nfs/dbraw/zinc/03/19/22/375031922.db2.gz JEHMZBITHHUXDK-UHFFFAOYSA-N 1 1 250.298 1.942 20 5 CDBDMO CCOC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529875 375093055 /nfs/dbraw/zinc/09/30/55/375093055.db2.gz UWJGYULBKFNCLC-CQSZACIVSA-N 1 1 282.340 1.467 20 5 CDBDMO COCC[N@H+]1[C@H](C)CN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000131863875 375369812 /nfs/dbraw/zinc/36/98/12/375369812.db2.gz BANKSIXSAZCJJB-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000131863875 375369819 /nfs/dbraw/zinc/36/98/19/375369819.db2.gz BANKSIXSAZCJJB-TXEJJXNPSA-N 1 1 294.355 1.535 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000352770725 375537348 /nfs/dbraw/zinc/53/73/48/375537348.db2.gz TZYWLGMZHKWOJX-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162819001 375524573 /nfs/dbraw/zinc/52/45/73/375524573.db2.gz WDFTUWXHPPYSTH-AAEUAGOBSA-N 1 1 264.325 1.840 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000230403941 375578573 /nfs/dbraw/zinc/57/85/73/375578573.db2.gz KKNFYSQGLJBAMN-UHFFFAOYSA-N 1 1 294.355 1.637 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486034 375615616 /nfs/dbraw/zinc/61/56/16/375615616.db2.gz WHDWEUZCHWXBNG-UHFFFAOYSA-N 1 1 296.323 1.437 20 5 CDBDMO Cc1c(C[N@H+](C)CCNC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000355073806 375771387 /nfs/dbraw/zinc/77/13/87/375771387.db2.gz UEEGBTBYKDACPZ-UHFFFAOYSA-N 1 1 294.355 1.606 20 5 CDBDMO Cc1nn(C)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133523000 375793995 /nfs/dbraw/zinc/79/39/95/375793995.db2.gz FHMOIKYRYZGUHR-PSASIEDQSA-N 1 1 279.344 1.674 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138504 375952881 /nfs/dbraw/zinc/95/28/81/375952881.db2.gz MZOIXOKNNKYUJP-CYBMUJFWSA-N 1 1 299.758 1.404 20 5 CDBDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000067419366 377063212 /nfs/dbraw/zinc/06/32/12/377063212.db2.gz ZTUCQNGWWDJOKP-CYBMUJFWSA-N 1 1 291.351 1.943 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000357405706 377343300 /nfs/dbraw/zinc/34/33/00/377343300.db2.gz BQBTYOGGTUSEQK-ZJUUUORDSA-N 1 1 280.328 1.146 20 5 CDBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3CC=CCC3)c21 ZINC000357666602 378742155 /nfs/dbraw/zinc/74/21/55/378742155.db2.gz ZAXCANIRAKKQTL-UHFFFAOYSA-N 1 1 299.334 1.634 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450334184 251227929 /nfs/dbraw/zinc/22/79/29/251227929.db2.gz ZBFIPISUBPWNJF-UHFFFAOYSA-N 1 1 267.333 1.259 20 5 CDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000289271905 197280501 /nfs/dbraw/zinc/28/05/01/197280501.db2.gz GKLBVUOIGOOYSD-IOKDEZFASA-N 1 1 278.308 1.300 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402579 195225997 /nfs/dbraw/zinc/22/59/97/195225997.db2.gz NQKTWJMXHPWFDD-GFCCVEGCSA-N 1 1 268.317 1.292 20 5 CDBDMO CSC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567706 195648651 /nfs/dbraw/zinc/64/86/51/195648651.db2.gz ZFSPFYYOFIUGRE-ZDUSSCGKSA-N 1 1 284.381 1.793 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC[C@H]2C2CC2)n1 ZINC000451645284 390639006 /nfs/dbraw/zinc/63/90/06/390639006.db2.gz CHQRWNCVYWIHDP-NSHDSACASA-N 1 1 282.369 1.619 20 5 CDBDMO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451284687 390609561 /nfs/dbraw/zinc/60/95/61/390609561.db2.gz LDKYPBXQYANFJY-CYBMUJFWSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451284687 390609569 /nfs/dbraw/zinc/60/95/69/390609569.db2.gz LDKYPBXQYANFJY-CYBMUJFWSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451284688 390609954 /nfs/dbraw/zinc/60/99/54/390609954.db2.gz LDKYPBXQYANFJY-ZDUSSCGKSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000451284688 390609956 /nfs/dbraw/zinc/60/99/56/390609956.db2.gz LDKYPBXQYANFJY-ZDUSSCGKSA-N 1 1 296.323 1.055 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CO ZINC000049751722 390806661 /nfs/dbraw/zinc/80/66/61/390806661.db2.gz MWTHIUDIINBYJT-ZDUSSCGKSA-N 1 1 280.324 1.950 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CO ZINC000049751722 390806663 /nfs/dbraw/zinc/80/66/63/390806663.db2.gz MWTHIUDIINBYJT-ZDUSSCGKSA-N 1 1 280.324 1.950 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780511 390915594 /nfs/dbraw/zinc/91/55/94/390915594.db2.gz XNNNBWHZONIISF-PWSUYJOCSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780511 390915595 /nfs/dbraw/zinc/91/55/95/390915595.db2.gz XNNNBWHZONIISF-PWSUYJOCSA-N 1 1 280.328 1.429 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000519834210 391225883 /nfs/dbraw/zinc/22/58/83/391225883.db2.gz IZICHZUEUWAZPW-SNVBAGLBSA-N 1 1 284.312 1.295 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408067904 391233964 /nfs/dbraw/zinc/23/39/64/391233964.db2.gz PYFRJFVBVJQYEB-UWVGGRQHSA-N 1 1 250.302 1.519 20 5 CDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189732110 130016646 /nfs/dbraw/zinc/01/66/46/130016646.db2.gz RWVQCKKNIRVUAE-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189732110 130016647 /nfs/dbraw/zinc/01/66/47/130016647.db2.gz RWVQCKKNIRVUAE-ZWNOBZJWSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191731092 130290762 /nfs/dbraw/zinc/29/07/62/130290762.db2.gz GHIKOVGPLZZBOO-YPMHNXCESA-N 1 1 264.325 1.963 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000354086185 391913356 /nfs/dbraw/zinc/91/33/56/391913356.db2.gz NKFKTRJJLLQAQG-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920973 131118962 /nfs/dbraw/zinc/11/89/62/131118962.db2.gz KSZBBIGRRKDHLI-GWCFXTLKSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263669662 131305814 /nfs/dbraw/zinc/30/58/14/131305814.db2.gz GBFVQRVLLWKOLP-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000263741871 131320520 /nfs/dbraw/zinc/32/05/20/131320520.db2.gz RNQDKONQEKKCEK-AAEUAGOBSA-N 1 1 280.324 1.676 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000430218010 393093448 /nfs/dbraw/zinc/09/34/48/393093448.db2.gz IHYNWKXPWOYNMX-BXKDBHETSA-N 1 1 266.297 1.559 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430212712 393093602 /nfs/dbraw/zinc/09/36/02/393093602.db2.gz PLLDRAKJOYOCND-UHFFFAOYSA-N 1 1 281.312 1.171 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000430246369 393095112 /nfs/dbraw/zinc/09/51/12/393095112.db2.gz ROMBWOPGDGXTRU-CQSZACIVSA-N 1 1 293.323 1.301 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2CCO)c1 ZINC000426212286 393039978 /nfs/dbraw/zinc/03/99/78/393039978.db2.gz YGMVWMKQXFANRA-LBPRGKRZSA-N 1 1 280.324 1.820 20 5 CDBDMO CC[C@](C)(O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000162477361 393208704 /nfs/dbraw/zinc/20/87/04/393208704.db2.gz SMTRZBYONOTOBX-ZDUSSCGKSA-N 1 1 265.313 1.509 20 5 CDBDMO CC[C@](C)(O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000162477361 393208713 /nfs/dbraw/zinc/20/87/13/393208713.db2.gz SMTRZBYONOTOBX-ZDUSSCGKSA-N 1 1 265.313 1.509 20 5 CDBDMO [NH3+]CCCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000094070506 147076753 /nfs/dbraw/zinc/07/67/53/147076753.db2.gz FDSXXBUEIBAZMC-UHFFFAOYSA-N 1 1 293.367 1.925 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343458069 152187910 /nfs/dbraw/zinc/18/79/10/152187910.db2.gz VWOYUIORVSVVFK-GXFFZTMASA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343513257 152206838 /nfs/dbraw/zinc/20/68/38/152206838.db2.gz JXDQLFAQLSPFKN-ZANVPECISA-N 1 1 295.314 1.946 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@@H]2CO)c1 ZINC000343732397 152282454 /nfs/dbraw/zinc/28/24/54/152282454.db2.gz QIKOHZZJQCKENW-LBPRGKRZSA-N 1 1 298.364 1.383 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000343732397 152282458 /nfs/dbraw/zinc/28/24/58/152282458.db2.gz QIKOHZZJQCKENW-LBPRGKRZSA-N 1 1 298.364 1.383 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352223988 155037353 /nfs/dbraw/zinc/03/73/53/155037353.db2.gz YTVOTTDUZNUZKI-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352223988 155037356 /nfs/dbraw/zinc/03/73/56/155037356.db2.gz YTVOTTDUZNUZKI-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])o1 ZINC000363007620 159288949 /nfs/dbraw/zinc/28/89/49/159288949.db2.gz LLCDZANLYLKSAE-ZJUUUORDSA-N 1 1 279.296 1.544 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035136208 172004095 /nfs/dbraw/zinc/00/40/95/172004095.db2.gz MQCHDJFWXFYRRW-SECBINFHSA-N 1 1 251.286 1.209 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000044687473 175232370 /nfs/dbraw/zinc/23/23/70/175232370.db2.gz PIBORFVATYGESD-JTQLQIEISA-N 1 1 267.354 1.983 20 5 CDBDMO O=[N+]([O-])c1cc(CN[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000044687473 175232372 /nfs/dbraw/zinc/23/23/72/175232372.db2.gz PIBORFVATYGESD-JTQLQIEISA-N 1 1 267.354 1.983 20 5 CDBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000078640755 177364167 /nfs/dbraw/zinc/36/41/67/177364167.db2.gz YDDNJHUYSLTNDX-UHFFFAOYSA-N 1 1 279.340 1.359 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079123 260151193 /nfs/dbraw/zinc/15/11/93/260151193.db2.gz WKAIVEBDCJGETJ-SECBINFHSA-N 1 1 297.742 1.930 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525103791 270608100 /nfs/dbraw/zinc/60/81/00/270608100.db2.gz QXIMAYQOKBCRQL-NXEZZACHSA-N 1 1 280.328 1.146 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000291164287 276231468 /nfs/dbraw/zinc/23/14/68/276231468.db2.gz QHKQCKMTFIBBAW-SNVBAGLBSA-N 1 1 269.349 1.861 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020479021 277050674 /nfs/dbraw/zinc/05/06/74/277050674.db2.gz LKPZMOIZOMOWBK-UHFFFAOYSA-N 1 1 263.297 1.373 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000049480230 279176471 /nfs/dbraw/zinc/17/64/71/279176471.db2.gz DFCYSVLZMUOAOV-UHFFFAOYSA-N 1 1 281.360 1.639 20 5 CDBDMO CC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552108 279279262 /nfs/dbraw/zinc/27/92/62/279279262.db2.gz ULPOUZVRMIHGGA-NSHDSACASA-N 1 1 265.313 1.488 20 5 CDBDMO CCn1cc[nH+]c1Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000129785145 279616071 /nfs/dbraw/zinc/61/60/71/279616071.db2.gz IOGBYHMFUAWDER-UHFFFAOYSA-N 1 1 262.269 1.330 20 5 CDBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000090794989 280013467 /nfs/dbraw/zinc/01/34/67/280013467.db2.gz WBVRYKBRKXHOMC-VHSXEESVSA-N 1 1 250.302 1.884 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H](C)O)CC1 ZINC000275069747 281259829 /nfs/dbraw/zinc/25/98/29/281259829.db2.gz YZPXNUJXUWYNLM-LBPRGKRZSA-N 1 1 279.340 1.406 20 5 CDBDMO Cn1cc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC000545293016 289677437 /nfs/dbraw/zinc/67/74/37/289677437.db2.gz MKJCEUDKVNYKEE-UHFFFAOYSA-N 1 1 278.316 1.087 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554129200 290145844 /nfs/dbraw/zinc/14/58/44/290145844.db2.gz 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CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054090 1162187768 /nfs/dbraw/zinc/18/77/68/1162187768.db2.gz XAXUOQYCKRBFSF-VXGBXAGGSA-N 1 1 271.361 1.280 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000304283265 521262544 /nfs/dbraw/zinc/26/25/44/521262544.db2.gz FEHBYNBHBDLMEG-ZDUSSCGKSA-N 1 1 282.344 1.417 20 5 CDBDMO CCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000049480555 521480754 /nfs/dbraw/zinc/48/07/54/521480754.db2.gz QFODDRQUWKMPGL-UHFFFAOYSA-N 1 1 281.312 1.884 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCC(CO)CC1 ZINC000340700928 523160495 /nfs/dbraw/zinc/16/04/95/523160495.db2.gz IKRLILNAPWOWER-UHFFFAOYSA-N 1 1 282.344 1.311 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000061379792 523615959 /nfs/dbraw/zinc/61/59/59/523615959.db2.gz NOCPADYVSZOCTN-UHFFFAOYSA-N 1 1 267.329 1.893 20 5 CDBDMO COCC[N@@H+](C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000061379595 523616861 /nfs/dbraw/zinc/61/68/61/523616861.db2.gz INEGODRJYQGNKA-UHFFFAOYSA-N 1 1 299.356 1.294 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708058 523814659 /nfs/dbraw/zinc/81/46/59/523814659.db2.gz OLGZGQISOSIYAH-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)N(CCC[NH+]1CCOCC1)CC2 ZINC000182775786 527379401 /nfs/dbraw/zinc/37/94/01/527379401.db2.gz HKQLBZPDHUYEBR-UHFFFAOYSA-N 1 1 291.351 1.680 20 5 CDBDMO Cc1nn(C)c(NCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000054128347 527678485 /nfs/dbraw/zinc/67/84/85/527678485.db2.gz AOVOFYYFMKMMME-UHFFFAOYSA-N 1 1 255.322 1.389 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])c(-c2nc(C[NH2+]C)no2)c1 ZINC000414642861 535426407 /nfs/dbraw/zinc/42/64/07/535426407.db2.gz LVAXZLZRENTUQF-UHFFFAOYSA-N 1 1 278.268 1.763 20 5 CDBDMO CC(C)[N@@H+](C)CC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738089840 574605940 /nfs/dbraw/zinc/60/59/40/574605940.db2.gz NAELWYHWPKZBRB-UHFFFAOYSA-N 1 1 295.387 1.801 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000771286825 575564788 /nfs/dbraw/zinc/56/47/88/575564788.db2.gz GQHFMLYZKFCBHN-GHMZBOCLSA-N 1 1 289.339 1.771 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000771463802 575581157 /nfs/dbraw/zinc/58/11/57/575581157.db2.gz ZKSZMMDTSCRQED-JMSVASOKSA-N 1 1 293.367 1.653 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000768771396 576307095 /nfs/dbraw/zinc/30/70/95/576307095.db2.gz WONXSCWZDDXLNN-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000768771396 576307096 /nfs/dbraw/zinc/30/70/96/576307096.db2.gz WONXSCWZDDXLNN-ZWNOBZJWSA-N 1 1 280.324 1.806 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104826 576549185 /nfs/dbraw/zinc/54/91/85/576549185.db2.gz IFVVLRBACUTQTN-WQAKAFBOSA-N 1 1 266.297 1.083 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742196968 576586528 /nfs/dbraw/zinc/58/65/28/576586528.db2.gz OJOKLLKTWZWHIP-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742196968 576586530 /nfs/dbraw/zinc/58/65/30/576586530.db2.gz OJOKLLKTWZWHIP-LLVKDONJSA-N 1 1 277.324 1.300 20 5 CDBDMO COC[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000751949282 577077329 /nfs/dbraw/zinc/07/73/29/577077329.db2.gz KHTIMSZEIKQNLT-NSHDSACASA-N 1 1 268.317 1.476 20 5 CDBDMO COC[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000751949282 577077331 /nfs/dbraw/zinc/07/73/31/577077331.db2.gz KHTIMSZEIKQNLT-NSHDSACASA-N 1 1 268.317 1.476 20 5 CDBDMO C[NH+]1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891391705 617381888 /nfs/dbraw/zinc/38/18/88/617381888.db2.gz WGEKSWPKHRNLHA-UHFFFAOYSA-N 1 1 266.257 1.255 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(=O)[nH]1 ZINC000933400061 617416063 /nfs/dbraw/zinc/41/60/63/617416063.db2.gz ZQSLMPAXMKSTHS-UHFFFAOYSA-N 1 1 277.284 1.024 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(=O)[nH]1 ZINC000933400061 617416067 /nfs/dbraw/zinc/41/60/67/617416067.db2.gz ZQSLMPAXMKSTHS-UHFFFAOYSA-N 1 1 277.284 1.024 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458750 617419544 /nfs/dbraw/zinc/41/95/44/617419544.db2.gz DNJVVUIWDKLTHI-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO CC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892732142 617671625 /nfs/dbraw/zinc/67/16/25/617671625.db2.gz UWEDBPISXZOXIB-SNVBAGLBSA-N 1 1 267.333 1.106 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000892721391 617654265 /nfs/dbraw/zinc/65/42/65/617654265.db2.gz MLRWKWZOZYBNQN-LLVKDONJSA-N 1 1 281.360 1.496 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000776591994 617684616 /nfs/dbraw/zinc/68/46/16/617684616.db2.gz NXBQUGCHUYMRAL-FZMZJTMJSA-N 1 1 280.324 1.597 20 5 CDBDMO CCC[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594043 618985816 /nfs/dbraw/zinc/98/58/16/618985816.db2.gz YCRPLBLCTKBSIP-SECBINFHSA-N 1 1 253.306 1.225 20 5 CDBDMO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117879 619308719 /nfs/dbraw/zinc/30/87/19/619308719.db2.gz DBWFHZLWBUCAIP-TUAOUCFPSA-N 1 1 291.351 1.735 20 5 CDBDMO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895117879 619308722 /nfs/dbraw/zinc/30/87/22/619308722.db2.gz DBWFHZLWBUCAIP-TUAOUCFPSA-N 1 1 291.351 1.735 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000928554445 619360489 /nfs/dbraw/zinc/36/04/89/619360489.db2.gz KHBHSBFMAAJOJM-QMMMGPOBSA-N 1 1 297.286 1.176 20 5 CDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000928554445 619360492 /nfs/dbraw/zinc/36/04/92/619360492.db2.gz KHBHSBFMAAJOJM-QMMMGPOBSA-N 1 1 297.286 1.176 20 5 CDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000928554444 619360716 /nfs/dbraw/zinc/36/07/16/619360716.db2.gz KHBHSBFMAAJOJM-MRVPVSSYSA-N 1 1 297.286 1.176 20 5 CDBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000928554444 619360720 /nfs/dbraw/zinc/36/07/20/619360720.db2.gz KHBHSBFMAAJOJM-MRVPVSSYSA-N 1 1 297.286 1.176 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000928554434 619360910 /nfs/dbraw/zinc/36/09/10/619360910.db2.gz KEDXNHNSNCEVBA-NSHDSACASA-N 1 1 291.351 1.693 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000928554434 619360912 /nfs/dbraw/zinc/36/09/12/619360912.db2.gz KEDXNHNSNCEVBA-NSHDSACASA-N 1 1 291.351 1.693 20 5 CDBDMO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246680 619491904 /nfs/dbraw/zinc/49/19/04/619491904.db2.gz PBKSSZDKBGQNOW-GXSJLCMTSA-N 1 1 284.385 1.703 20 5 CDBDMO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246680 619491905 /nfs/dbraw/zinc/49/19/05/619491905.db2.gz PBKSSZDKBGQNOW-GXSJLCMTSA-N 1 1 284.385 1.703 20 5 CDBDMO COc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000899859450 622486504 /nfs/dbraw/zinc/48/65/04/622486504.db2.gz JQBJJSPSRWRBSN-GFCCVEGCSA-N 1 1 297.355 1.173 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902932549 625656696 /nfs/dbraw/zinc/65/66/96/625656696.db2.gz DVXOOVQRKVHYSC-VIFPVBQESA-N 1 1 282.275 1.560 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000905097970 626637450 /nfs/dbraw/zinc/63/74/50/626637450.db2.gz PJVVGKWSQBFZHU-HNNXBMFYSA-N 1 1 277.368 1.417 20 5 CDBDMO C[C@@]1(CNCC[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000905243553 626700508 /nfs/dbraw/zinc/70/05/08/626700508.db2.gz JZZWZAFWUUVYBH-HNNXBMFYSA-N 1 1 277.368 1.765 20 5 CDBDMO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912805063 630217465 /nfs/dbraw/zinc/21/74/65/630217465.db2.gz IGQJKQWXXRPGAH-UMSGYPCISA-N 1 1 283.372 1.230 20 5 CDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925426 630307033 /nfs/dbraw/zinc/30/70/33/630307033.db2.gz JQGXJSDVBMKPAB-SECBINFHSA-N 1 1 281.337 1.577 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000129105471 1158940563 /nfs/dbraw/zinc/94/05/63/1158940563.db2.gz ZOOXHNJXRCEAPQ-MNOVXSKESA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000129105471 1158940564 /nfs/dbraw/zinc/94/05/64/1158940564.db2.gz ZOOXHNJXRCEAPQ-MNOVXSKESA-N 1 1 266.301 1.250 20 5 CDBDMO CCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001754504515 1159249489 /nfs/dbraw/zinc/24/94/89/1159249489.db2.gz IILZVWXWGIJYEO-UHFFFAOYSA-N 1 1 283.353 1.805 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933239592 1166780616 /nfs/dbraw/zinc/78/06/16/1166780616.db2.gz GJFRIWPNNKPRPR-JTQLQIEISA-N 1 1 278.230 1.605 20 5 CDBDMO CC(=O)c1cc(O[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000311945477 1186692350 /nfs/dbraw/zinc/69/23/50/1186692350.db2.gz GYVZYGNKIMYQIS-NSHDSACASA-N 1 1 264.281 1.880 20 5 CDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000408466696 719184164 /nfs/dbraw/zinc/18/41/64/719184164.db2.gz JPNMURATBBXKGG-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1C ZINC000408466696 719184174 /nfs/dbraw/zinc/18/41/74/719184174.db2.gz JPNMURATBBXKGG-BDAKNGLRSA-N 1 1 268.292 1.658 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CNCCOC1 ZINC000925628157 783735627 /nfs/dbraw/zinc/73/56/27/783735627.db2.gz GMTGLXSGLAVAEJ-GFCCVEGCSA-N 1 1 299.758 1.369 20 5 CDBDMO O=[N+]([O-])CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000930332447 783857107 /nfs/dbraw/zinc/85/71/07/783857107.db2.gz DZOULOPJFLZXMZ-UHFFFAOYSA-N 1 1 275.352 1.790 20 5 CDBDMO C[NH2+]Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184078 784835626 /nfs/dbraw/zinc/83/56/26/784835626.db2.gz DJRCPGUJZNFTEV-UHFFFAOYSA-N 1 1 277.284 1.352 20 5 CDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886086154 784889341 /nfs/dbraw/zinc/88/93/41/784889341.db2.gz HPBWJAOTPRQGEX-GFCCVEGCSA-N 1 1 292.339 1.290 20 5 CDBDMO C[N@@H+](CCNc1ccnc(F)c1[N+](=O)[O-])C1CC1 ZINC000881843763 784984401 /nfs/dbraw/zinc/98/44/01/784984401.db2.gz CBQXJSQZSQRBSB-UHFFFAOYSA-N 1 1 254.265 1.635 20 5 CDBDMO CC1CCN(C(=O)C2CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC000929291287 785064486 /nfs/dbraw/zinc/06/44/86/785064486.db2.gz DNISVAFHEJUPGX-UHFFFAOYSA-N 1 1 283.372 1.234 20 5 CDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccnc1[N+](=O)[O-] ZINC000886315248 785076330 /nfs/dbraw/zinc/07/63/30/785076330.db2.gz CKKGKSRGXLGSGP-OLZOCXBDSA-N 1 1 276.340 1.658 20 5 CDBDMO COCC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000112331839 785693877 /nfs/dbraw/zinc/69/38/77/785693877.db2.gz LGLPXVDSRXSOLL-UHFFFAOYSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1cc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])s1 ZINC000853121254 785723049 /nfs/dbraw/zinc/72/30/49/785723049.db2.gz BQPVGGAYUIPZMF-UHFFFAOYSA-N 1 1 298.368 1.326 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC000840250982 786113985 /nfs/dbraw/zinc/11/39/85/786113985.db2.gz GCZSUQOPPOBWCU-KOLCDFICSA-N 1 1 296.302 1.404 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000817131585 786511707 /nfs/dbraw/zinc/51/17/07/786511707.db2.gz FXQMMHRBLJZRBW-NSHDSACASA-N 1 1 289.339 1.773 20 5 CDBDMO [NH3+]Cc1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 ZINC000842651197 786812148 /nfs/dbraw/zinc/81/21/48/786812148.db2.gz VDYRJBSGHMNOMX-SNVBAGLBSA-N 1 1 289.251 1.302 20 5 CDBDMO CC(C)[NH2+]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854158366 786854374 /nfs/dbraw/zinc/85/43/74/786854374.db2.gz UGGYPXNGISFWMQ-UHFFFAOYSA-N 1 1 256.306 1.556 20 5 CDBDMO Cc1nc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC000873099387 786960543 /nfs/dbraw/zinc/96/05/43/786960543.db2.gz ZVOSBJAFZBNUMS-UHFFFAOYSA-N 1 1 289.339 1.970 20 5 CDBDMO Cc1nnc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC000873099387 786960563 /nfs/dbraw/zinc/96/05/63/786960563.db2.gz ZVOSBJAFZBNUMS-UHFFFAOYSA-N 1 1 289.339 1.970 20 5 CDBDMO C[C@H]1NCCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517105 787055356 /nfs/dbraw/zinc/05/53/56/787055356.db2.gz YVVBQPJNJXEWRL-YPMHNXCESA-N 1 1 263.341 1.867 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000861385451 787079148 /nfs/dbraw/zinc/07/91/48/787079148.db2.gz QXEWAHKTEOKFQP-UHFFFAOYSA-N 1 1 289.291 1.939 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886044532 787516804 /nfs/dbraw/zinc/51/68/04/787516804.db2.gz ZFKJWNMVPJHFDG-GXTWGEPZSA-N 1 1 290.367 1.906 20 5 CDBDMO CC1(O)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000177183669 787829385 /nfs/dbraw/zinc/82/93/85/787829385.db2.gz UNSYXOGDMCRVKC-UHFFFAOYSA-N 1 1 290.323 1.749 20 5 CDBDMO CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)OC ZINC000886212920 787878773 /nfs/dbraw/zinc/87/87/73/787878773.db2.gz IAZGMGCZXINHTC-SNVBAGLBSA-N 1 1 253.302 1.847 20 5 CDBDMO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](C)OC ZINC000886212920 787878774 /nfs/dbraw/zinc/87/87/74/787878774.db2.gz IAZGMGCZXINHTC-SNVBAGLBSA-N 1 1 253.302 1.847 20 5 CDBDMO CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325674 787879101 /nfs/dbraw/zinc/87/91/01/787879101.db2.gz KIMMNYPJWGMOBJ-FDYHWXHSSA-N 1 1 283.372 1.325 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845739342 788081121 /nfs/dbraw/zinc/08/11/21/788081121.db2.gz RUIUGGQOSNSMEW-SNVBAGLBSA-N 1 1 295.339 1.963 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000863851098 788219790 /nfs/dbraw/zinc/21/97/90/788219790.db2.gz IUJRMLPHXBCREU-NSHDSACASA-N 1 1 295.339 1.965 20 5 CDBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931102893 788681102 /nfs/dbraw/zinc/68/11/02/788681102.db2.gz IMUPXJUIAALMBW-SMDDNHRTSA-N 1 1 299.371 1.642 20 5 CDBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931102893 788681132 /nfs/dbraw/zinc/68/11/32/788681132.db2.gz IMUPXJUIAALMBW-SMDDNHRTSA-N 1 1 299.371 1.642 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cn2nccc2[N+](=O)[O-])C1 ZINC000246934692 788833708 /nfs/dbraw/zinc/83/37/08/788833708.db2.gz KZUALTDXNJUBAJ-NWDGAFQWSA-N 1 1 279.344 1.165 20 5 CDBDMO CCC[N@@H+](CC)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125318 789104669 /nfs/dbraw/zinc/10/46/69/789104669.db2.gz DIXJCRUEMKGNCL-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCN(CC)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819125318 789104697 /nfs/dbraw/zinc/10/46/97/789104697.db2.gz DIXJCRUEMKGNCL-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO Cc1ccc(C[N@H+](CCO)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000714018178 789110803 /nfs/dbraw/zinc/11/08/03/789110803.db2.gz CCBINYBARNHJJX-LLVKDONJSA-N 1 1 268.313 1.078 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]2C1 ZINC000819719906 789215024 /nfs/dbraw/zinc/21/50/24/789215024.db2.gz JYGYIDPVMRLHTP-NWDGAFQWSA-N 1 1 283.372 1.375 20 5 CDBDMO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439764 789847417 /nfs/dbraw/zinc/84/74/17/789847417.db2.gz PXMGKVZCAWFAIL-QMMMGPOBSA-N 1 1 285.731 1.862 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(N)=O)CC1 ZINC001173228690 912319338 /nfs/dbraw/zinc/31/93/38/912319338.db2.gz YOOCEPSRIRSNHA-LLVKDONJSA-N 1 1 292.339 1.222 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)N(C)C ZINC001173227019 912321790 /nfs/dbraw/zinc/32/17/90/912321790.db2.gz MDVYNOZEUPRFIJ-LLVKDONJSA-N 1 1 279.340 1.546 20 5 CDBDMO CCN1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000722353285 901006050 /nfs/dbraw/zinc/00/60/50/901006050.db2.gz PGMZBGIOTACIOC-JTQLQIEISA-N 1 1 283.353 1.757 20 5 CDBDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547333 936915043 /nfs/dbraw/zinc/91/50/43/936915043.db2.gz RDMSGMRZYVNBCC-DHGKCCLASA-N 1 1 295.383 1.515 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168956962 927577554 /nfs/dbraw/zinc/57/75/54/927577554.db2.gz DABPGXIIGVMCRL-OUAUKWLOSA-N 1 1 272.345 1.609 20 5 CDBDMO CC(C)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)CN ZINC001169006439 927612289 /nfs/dbraw/zinc/61/22/89/927612289.db2.gz IFSSVUNJVVYSET-VXGBXAGGSA-N 1 1 257.378 1.880 20 5 CDBDMO O=C1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@H]1F ZINC001169010625 927616534 /nfs/dbraw/zinc/61/65/34/927616534.db2.gz FGAVZWUVQFTFMX-MXWKQRLJSA-N 1 1 258.293 1.435 20 5 CDBDMO CC(=O)N1CCC[C@H]([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169041004 927653117 /nfs/dbraw/zinc/65/31/17/927653117.db2.gz AJBOVLOMEJBHGS-MJBXVCDLSA-N 1 1 283.372 1.375 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169043785 927655927 /nfs/dbraw/zinc/65/59/27/927655927.db2.gz HRWAIPKSSFNWCW-MROQNXINSA-N 1 1 284.356 1.705 20 5 CDBDMO CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047022 927666474 /nfs/dbraw/zinc/66/64/74/927666474.db2.gz PTUBYXZWCLNROI-KFWWJZLASA-N 1 1 297.399 1.763 20 5 CDBDMO C[NH2+][C@H]1CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001156659719 928893819 /nfs/dbraw/zinc/89/38/19/928893819.db2.gz JJEAMSIMQOWWLG-GFCCVEGCSA-N 1 1 258.281 1.899 20 5 CDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])n1 ZINC001159783609 930844527 /nfs/dbraw/zinc/84/45/27/930844527.db2.gz DZCSAEBHRVOOOE-QMMMGPOBSA-N 1 1 273.724 1.387 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555552 933156450 /nfs/dbraw/zinc/15/64/50/933156450.db2.gz UAQLYIHVOIWPAG-VIFPVBQESA-N 1 1 281.287 1.476 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928555552 933156454 /nfs/dbraw/zinc/15/64/54/933156454.db2.gz UAQLYIHVOIWPAG-VIFPVBQESA-N 1 1 281.287 1.476 20 5 CDBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001119434361 937719507 /nfs/dbraw/zinc/71/95/07/937719507.db2.gz DFWHACVZRIBBML-CQSZACIVSA-N 1 1 279.340 1.830 20 5 CDBDMO COc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001156381477 938360960 /nfs/dbraw/zinc/36/09/60/938360960.db2.gz RUEMQCOJNTXXCU-JTQLQIEISA-N 1 1 295.343 1.537 20 5 CDBDMO COc1nc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)ncc1[N+](=O)[O-] ZINC001157001211 938444857 /nfs/dbraw/zinc/44/48/57/938444857.db2.gz KORZUGBVKWOLDF-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001157021633 938446428 /nfs/dbraw/zinc/44/64/28/938446428.db2.gz PRBOOEDXIIBJCN-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001157022194 938446602 /nfs/dbraw/zinc/44/66/02/938446602.db2.gz VTTKNEGXXCYCFI-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1cnc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260251 938470373 /nfs/dbraw/zinc/47/03/73/938470373.db2.gz IQCPCKYANYOSFI-WCQYABFASA-N 1 1 276.340 1.829 20 5 CDBDMO CC[C@]([NH3+])(CO)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001159743160 938748624 /nfs/dbraw/zinc/74/86/24/938748624.db2.gz GGQVPUUOADSCCY-LLVKDONJSA-N 1 1 254.290 1.076 20 5 CDBDMO O=c1[nH]c(C2CC2)nc(O[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001218284400 941051559 /nfs/dbraw/zinc/05/15/59/941051559.db2.gz RBBGDTYCFLDNHC-QMMMGPOBSA-N 1 1 280.284 1.099 20 5 CDBDMO CC[NH+]1CC(OCc2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC001223393568 941675106 /nfs/dbraw/zinc/67/51/06/941675106.db2.gz XMRQPOLHZONEKJ-UHFFFAOYSA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661783 941896152 /nfs/dbraw/zinc/89/61/52/941896152.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 1 1 279.296 1.699 20 5 CDBDMO C[NH+](C)C1CCC(Oc2nccc(O)c2[N+](=O)[O-])CC1 ZINC001225667973 941897695 /nfs/dbraw/zinc/89/76/95/941897695.db2.gz XKBFRKFYZRGKIG-UHFFFAOYSA-N 1 1 281.312 1.947 20 5 CDBDMO COc1cc(OC2CC[NH+](CCF)CC2)ncc1[N+](=O)[O-] ZINC001226580748 942030255 /nfs/dbraw/zinc/03/02/55/942030255.db2.gz CZUBWYWPAVAURL-UHFFFAOYSA-N 1 1 299.302 1.811 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226757123 942063890 /nfs/dbraw/zinc/06/38/90/942063890.db2.gz VVNVEKSIAKSDTO-SECBINFHSA-N 1 1 255.249 1.602 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001227122480 942137274 /nfs/dbraw/zinc/13/72/74/942137274.db2.gz QIDGWYIWLLDQJT-JTQLQIEISA-N 1 1 294.307 1.854 20 5 CDBDMO C[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227462486 942179462 /nfs/dbraw/zinc/17/94/62/942179462.db2.gz GJCGKGPQFVTLAP-JTQLQIEISA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@@H](C[NH+](C)C)Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227690146 942204750 /nfs/dbraw/zinc/20/47/50/942204750.db2.gz GOKORNCTPLMBDB-ZETCQYMHSA-N 1 1 265.273 1.195 20 5 CDBDMO C[C@@H](C[NH+](C)C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604423 942340848 /nfs/dbraw/zinc/34/08/48/942340848.db2.gz SJIQYTSSUKRESK-ZETCQYMHSA-N 1 1 282.300 1.297 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056911 942412649 /nfs/dbraw/zinc/41/26/49/942412649.db2.gz XSFFYDJRYPIHTG-NSHDSACASA-N 1 1 294.307 1.854 20 5 CDBDMO Cc1nc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377970 942460204 /nfs/dbraw/zinc/46/02/04/942460204.db2.gz DZMGECUGUFHOKZ-MGCOHNPYSA-N 1 1 296.327 1.650 20 5 CDBDMO COC(=O)C1C[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254553814 947524072 /nfs/dbraw/zinc/52/40/72/947524072.db2.gz ZPEUJSPBCKYJDJ-SNVBAGLBSA-N 1 1 278.308 1.631 20 5 CDBDMO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254592126 947541761 /nfs/dbraw/zinc/54/17/61/947541761.db2.gz BFRGZDONJHFVEC-HZMBPMFUSA-N 1 1 262.309 1.783 20 5 CDBDMO C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254592126 947541767 /nfs/dbraw/zinc/54/17/67/947541767.db2.gz BFRGZDONJHFVEC-HZMBPMFUSA-N 1 1 262.309 1.783 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001254592694 947543249 /nfs/dbraw/zinc/54/32/49/947543249.db2.gz FUNPULCDDMHXPH-SOUVJXGZSA-N 1 1 274.320 1.925 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001254592694 947543258 /nfs/dbraw/zinc/54/32/58/947543258.db2.gz FUNPULCDDMHXPH-SOUVJXGZSA-N 1 1 274.320 1.925 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001254597391 947546233 /nfs/dbraw/zinc/54/62/33/947546233.db2.gz DBQKDZMZZIUEHD-CVEARBPZSA-N 1 1 287.363 1.842 20 5 CDBDMO [NH3+]C[C@]1(F)CCCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572794 948296687 /nfs/dbraw/zinc/29/66/87/948296687.db2.gz BIGDWEADDUWPAJ-FRRDWIJNSA-N 1 1 273.352 1.585 20 5 CDBDMO NC[C@]1(F)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246572794 948296680 /nfs/dbraw/zinc/29/66/80/948296680.db2.gz BIGDWEADDUWPAJ-FRRDWIJNSA-N 1 1 273.352 1.585 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001328393767 955282500 /nfs/dbraw/zinc/28/25/00/955282500.db2.gz JODWTJWHPCFYDX-MNOVXSKESA-N 1 1 281.312 1.892 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001328393767 955282506 /nfs/dbraw/zinc/28/25/06/955282506.db2.gz JODWTJWHPCFYDX-MNOVXSKESA-N 1 1 281.312 1.892 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001332832447 957868164 /nfs/dbraw/zinc/86/81/64/957868164.db2.gz DXYSNJZREZCASB-UHFFFAOYSA-N 1 1 290.298 1.646 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001332832447 957868175 /nfs/dbraw/zinc/86/81/75/957868175.db2.gz DXYSNJZREZCASB-UHFFFAOYSA-N 1 1 290.298 1.646 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001336198918 960245920 /nfs/dbraw/zinc/24/59/20/960245920.db2.gz FZVAWDCMLWNVDF-VIFPVBQESA-N 1 1 266.301 1.137 20 5 CDBDMO O=[N+]([O-])c1ncccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001337602250 961300762 /nfs/dbraw/zinc/30/07/62/961300762.db2.gz QDAPKGJBPVBVFP-UHFFFAOYSA-N 1 1 290.367 1.955 20 5 CDBDMO Nc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001337732230 961393456 /nfs/dbraw/zinc/39/34/56/961393456.db2.gz DPDDJCTWHGKAMP-NXEZZACHSA-N 1 1 277.328 1.611 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000048922088 398215506 /nfs/dbraw/zinc/21/55/06/398215506.db2.gz VMIICCINYZGDIS-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000048922088 398215511 /nfs/dbraw/zinc/21/55/11/398215511.db2.gz VMIICCINYZGDIS-ZDUSSCGKSA-N 1 1 277.324 1.614 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661425 342581410 /nfs/dbraw/zinc/58/14/10/342581410.db2.gz KQWCGYWLFVYIFJ-ZWNOBZJWSA-N 1 1 250.298 1.858 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]21 ZINC000590720102 342585917 /nfs/dbraw/zinc/58/59/17/342585917.db2.gz KUHUJAVQZZRRLH-SCZZXKLOSA-N 1 1 253.327 1.797 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590720113 342585927 /nfs/dbraw/zinc/58/59/27/342585927.db2.gz PNNXHMPXUSFHMQ-KCJUWKMLSA-N 1 1 282.731 1.784 20 5 CDBDMO CC[N@H+]1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341591748 539038991 /nfs/dbraw/zinc/03/89/91/539038991.db2.gz JOCBIWQDQZVUES-JTQLQIEISA-N 1 1 292.339 1.590 20 5 CDBDMO C[C@H](O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056837 342869300 /nfs/dbraw/zinc/86/93/00/342869300.db2.gz ZGZSTACDEVWDFR-NSHDSACASA-N 1 1 280.324 1.819 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055707 342869382 /nfs/dbraw/zinc/86/93/82/342869382.db2.gz ONGXMOURXQWPLN-SNVBAGLBSA-N 1 1 280.324 1.949 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420481 342903149 /nfs/dbraw/zinc/90/31/49/342903149.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420481 342903150 /nfs/dbraw/zinc/90/31/50/342903150.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420481 342903151 /nfs/dbraw/zinc/90/31/51/342903151.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 1 1 293.327 1.065 20 5 CDBDMO Cc1noc(C[N@H+]2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000595334468 343028933 /nfs/dbraw/zinc/02/89/33/343028933.db2.gz ORJMCCIHIKHBQP-UHFFFAOYSA-N 1 1 281.312 1.894 20 5 CDBDMO COCC[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307441 343031867 /nfs/dbraw/zinc/03/18/67/343031867.db2.gz WFQDEXVTRJHFCX-UHFFFAOYSA-N 1 1 272.276 1.175 20 5 CDBDMO COCC[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307441 343031868 /nfs/dbraw/zinc/03/18/68/343031868.db2.gz WFQDEXVTRJHFCX-UHFFFAOYSA-N 1 1 272.276 1.175 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410220 343050696 /nfs/dbraw/zinc/05/06/96/343050696.db2.gz WGBCXZHDUVFXDY-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000595410220 343050699 /nfs/dbraw/zinc/05/06/99/343050699.db2.gz WGBCXZHDUVFXDY-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO CO[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423591 343055968 /nfs/dbraw/zinc/05/59/68/343055968.db2.gz BIOCPNDUKFMHFO-JTQLQIEISA-N 1 1 269.301 1.892 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595472963 343073186 /nfs/dbraw/zinc/07/31/86/343073186.db2.gz RATYSKHQZKAKFK-PRHODGIISA-N 1 1 281.287 1.348 20 5 CDBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076268857 342320368 /nfs/dbraw/zinc/32/03/68/342320368.db2.gz BVDJABARXGAMPM-SECBINFHSA-N 1 1 280.332 1.111 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000078022585 342332981 /nfs/dbraw/zinc/33/29/81/342332981.db2.gz WSQDAEQDYITALQ-LBPRGKRZSA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@@](O)(CNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343461 342335873 /nfs/dbraw/zinc/33/58/73/342335873.db2.gz UEQDUHDNZWPDPZ-CQSZACIVSA-N 1 1 295.339 1.090 20 5 CDBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595868045 343176479 /nfs/dbraw/zinc/17/64/79/343176479.db2.gz QYZYHHSYBKCECU-OUCADQQQSA-N 1 1 296.371 1.805 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596124293 343236402 /nfs/dbraw/zinc/23/64/02/343236402.db2.gz UTOMNTHUYXFSRQ-UHFFFAOYSA-N 1 1 294.355 1.838 20 5 CDBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596154169 343246903 /nfs/dbraw/zinc/24/69/03/343246903.db2.gz YKWVLOPXNWZDFQ-UHFFFAOYSA-N 1 1 294.355 1.838 20 5 CDBDMO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)[C@@H](C)C[N@H+]1C ZINC000596177812 343261607 /nfs/dbraw/zinc/26/16/07/343261607.db2.gz HCMMVOCOGUYTTF-BDAKNGLRSA-N 1 1 265.317 1.101 20 5 CDBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000596200250 343263482 /nfs/dbraw/zinc/26/34/82/343263482.db2.gz JMEJXWHRXFADOY-QMMMGPOBSA-N 1 1 293.714 1.689 20 5 CDBDMO CC[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268867 343280872 /nfs/dbraw/zinc/28/08/72/343280872.db2.gz LXHGQSAPDZYAPE-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000596267944 343280908 /nfs/dbraw/zinc/28/09/08/343280908.db2.gz AIVBBLLJVQCAJY-NSHDSACASA-N 1 1 264.329 1.910 20 5 CDBDMO CN1CC[NH+](CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000139138353 342443301 /nfs/dbraw/zinc/44/33/01/342443301.db2.gz JHWSMJUSQRWNJT-UHFFFAOYSA-N 1 1 279.344 1.039 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)cc1[N+](=O)[O-] ZINC000597215110 343483030 /nfs/dbraw/zinc/48/30/30/343483030.db2.gz WPKXPWMZACLDEL-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1[N+](=O)[O-] ZINC000597215110 343483031 /nfs/dbraw/zinc/48/30/31/343483031.db2.gz WPKXPWMZACLDEL-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150767306 136393439 /nfs/dbraw/zinc/39/34/39/136393439.db2.gz MMTAUMZBZXXSDR-GHMZBOCLSA-N 1 1 294.355 1.190 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000049568881 282275366 /nfs/dbraw/zinc/27/53/66/282275366.db2.gz ZRDDQAKGZIGYRS-WDEREUQCSA-N 1 1 279.344 1.675 20 5 CDBDMO Cc1nc(NC[C@@H]2CCCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599141006 343959759 /nfs/dbraw/zinc/95/97/59/343959759.db2.gz XQJDATNAWSGYFA-LBPRGKRZSA-N 1 1 278.356 1.864 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@H+](C)C1 ZINC000599140331 343960052 /nfs/dbraw/zinc/96/00/52/343960052.db2.gz UVARKVANFLVGRT-GFCCVEGCSA-N 1 1 278.356 1.864 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000602800994 344590624 /nfs/dbraw/zinc/59/06/24/344590624.db2.gz KJAXIYNYSFHNLB-QWHCGFSZSA-N 1 1 296.371 1.583 20 5 CDBDMO C[C@@H]1C[N@H+](CCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000073448663 345460491 /nfs/dbraw/zinc/46/04/91/345460491.db2.gz OEPNEGOYVAAHOH-TXEJJXNPSA-N 1 1 294.355 1.901 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1C ZINC000610664912 346338363 /nfs/dbraw/zinc/33/83/63/346338363.db2.gz VINMKUIBHNUBNS-JTQLQIEISA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1C ZINC000610664913 346338407 /nfs/dbraw/zinc/33/84/07/346338407.db2.gz VINMKUIBHNUBNS-SNVBAGLBSA-N 1 1 252.318 1.974 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000611087770 346603410 /nfs/dbraw/zinc/60/34/10/346603410.db2.gz IVUQEDPFMFNXNN-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000611087770 346603411 /nfs/dbraw/zinc/60/34/11/346603411.db2.gz IVUQEDPFMFNXNN-JTQLQIEISA-N 1 1 280.328 1.100 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611299032 346740633 /nfs/dbraw/zinc/74/06/33/346740633.db2.gz JDXUSGOKBSAWOM-MNOVXSKESA-N 1 1 264.329 1.827 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448602 348532935 /nfs/dbraw/zinc/53/29/35/348532935.db2.gz FOJITKBDGPONNH-UHFFFAOYSA-N 1 1 267.285 1.356 20 5 CDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551239 180002641 /nfs/dbraw/zinc/00/26/41/180002641.db2.gz OVTXBTFHYRTAQJ-LBPRGKRZSA-N 1 1 297.380 1.584 20 5 CDBDMO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000068811047 351126587 /nfs/dbraw/zinc/12/65/87/351126587.db2.gz PYMRGGBDVHGBCN-ZIAGYGMSSA-N 1 1 295.383 1.422 20 5 CDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000175260367 366060463 /nfs/dbraw/zinc/06/04/63/366060463.db2.gz SAHGUOGNPRPDCV-LBPRGKRZSA-N 1 1 277.324 1.682 20 5 CDBDMO CC[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000035299875 366166866 /nfs/dbraw/zinc/16/68/66/366166866.db2.gz VHVGCQUQEHGFHK-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO Cc1cc(NCC2=CC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000271798680 191334594 /nfs/dbraw/zinc/33/45/94/191334594.db2.gz KITSVZWGSLQOQO-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181035777 357305901 /nfs/dbraw/zinc/30/59/01/357305901.db2.gz XZKQJMJMLUVWBX-UHFFFAOYSA-N 1 1 292.339 1.345 20 5 CDBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)NCCF ZINC000282775471 357474831 /nfs/dbraw/zinc/47/48/31/357474831.db2.gz VFOAKNVUZJNRON-ZETCQYMHSA-N 1 1 275.305 1.220 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CCOC)C1 ZINC000360910560 357743422 /nfs/dbraw/zinc/74/34/22/357743422.db2.gz VGAMROWHHGDKBL-NSHDSACASA-N 1 1 297.359 1.252 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)C(F)(F)F ZINC000189478359 358015912 /nfs/dbraw/zinc/01/59/12/358015912.db2.gz DXGAGLQMFIBGQL-QMMMGPOBSA-N 1 1 296.249 1.036 20 5 CDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000368974807 283336724 /nfs/dbraw/zinc/33/67/24/283336724.db2.gz QULNLBGVQIYQER-BNOWGMLFSA-N 1 1 289.335 1.681 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000361472401 358219971 /nfs/dbraw/zinc/21/99/71/358219971.db2.gz XFUSYYLTHBIMRD-DGCLKSJQSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000338074341 358738123 /nfs/dbraw/zinc/73/81/23/358738123.db2.gz ULBBWQWBKRGYFL-LLVKDONJSA-N 1 1 294.355 1.395 20 5 CDBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093227981 359020883 /nfs/dbraw/zinc/02/08/83/359020883.db2.gz IZKXXMDZQFXKCO-NSHDSACASA-N 1 1 275.312 1.879 20 5 CDBDMO COc1ccc(CNCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000054127115 359158978 /nfs/dbraw/zinc/15/89/78/359158978.db2.gz UWEOTNKIUFFSNE-UHFFFAOYSA-N 1 1 279.340 1.789 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000569378734 359229938 /nfs/dbraw/zinc/22/99/38/359229938.db2.gz ADEZZPKTTKAGKR-GFCCVEGCSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000569378734 359229942 /nfs/dbraw/zinc/22/99/42/359229942.db2.gz ADEZZPKTTKAGKR-GFCCVEGCSA-N 1 1 277.324 1.761 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000048336892 359202281 /nfs/dbraw/zinc/20/22/81/359202281.db2.gz WMFBHWQZAYYNMT-NXEZZACHSA-N 1 1 265.317 1.367 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112926730 359366429 /nfs/dbraw/zinc/36/64/29/359366429.db2.gz BIHWBWJQKHEWGU-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832575 359464959 /nfs/dbraw/zinc/46/49/59/359464959.db2.gz YHCUMEYXPIAGQA-LBPRGKRZSA-N 1 1 282.344 1.538 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000571702754 359603797 /nfs/dbraw/zinc/60/37/97/359603797.db2.gz JUFKZNLQFDSHKS-JGVFFNPUSA-N 1 1 256.331 1.580 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000571702754 359603801 /nfs/dbraw/zinc/60/38/01/359603801.db2.gz JUFKZNLQFDSHKS-JGVFFNPUSA-N 1 1 256.331 1.580 20 5 CDBDMO Cc1nn(C)c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000575132449 360878148 /nfs/dbraw/zinc/87/81/48/360878148.db2.gz OUPSHVABFHNCPL-SNVBAGLBSA-N 1 1 293.371 1.557 20 5 CDBDMO CCOC1CC2(C1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367600946 364000602 /nfs/dbraw/zinc/00/06/02/364000602.db2.gz CRMVFKZLDFEUHS-UHFFFAOYSA-N 1 1 294.355 1.719 20 5 CDBDMO CCOC1CC2(C1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367600946 364000609 /nfs/dbraw/zinc/00/06/09/364000609.db2.gz CRMVFKZLDFEUHS-UHFFFAOYSA-N 1 1 294.355 1.719 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563502 364890699 /nfs/dbraw/zinc/89/06/99/364890699.db2.gz MJUXZVBRHIDRKI-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000348631924 367590945 /nfs/dbraw/zinc/59/09/45/367590945.db2.gz GKLBVUOIGOOYSD-GNXSNYGWSA-N 1 1 278.308 1.300 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272450251 367735691 /nfs/dbraw/zinc/73/56/91/367735691.db2.gz JMQNUKPYZZLXNT-KOLCDFICSA-N 1 1 295.364 1.823 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272450245 367736023 /nfs/dbraw/zinc/73/60/23/367736023.db2.gz JMQNUKPYZZLXNT-GXSJLCMTSA-N 1 1 295.364 1.823 20 5 CDBDMO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])cn2)c1C ZINC000073529010 370881881 /nfs/dbraw/zinc/88/18/81/370881881.db2.gz GLNVBKZNIQRDBY-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000330616665 203043270 /nfs/dbraw/zinc/04/32/70/203043270.db2.gz FCCVLIRSBHNDGK-ZDUSSCGKSA-N 1 1 282.365 1.895 20 5 CDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420367727 244153111 /nfs/dbraw/zinc/15/31/11/244153111.db2.gz NFRWCJKKTDCKEY-JMSVASOKSA-N 1 1 293.367 1.950 20 5 CDBDMO O=[N+]([O-])c1ccc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000368063507 371495218 /nfs/dbraw/zinc/49/52/18/371495218.db2.gz WBSWCKMZVUKPEP-TXEJJXNPSA-N 1 1 295.364 1.945 20 5 CDBDMO COC[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650354 373301176 /nfs/dbraw/zinc/30/11/76/373301176.db2.gz MDHIVELCRARXIN-BXUZGUMPSA-N 1 1 280.324 1.597 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)C2CC2)cc1 ZINC000065534620 373653975 /nfs/dbraw/zinc/65/39/75/373653975.db2.gz NYXKJUBNRUMSMQ-UHFFFAOYSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000311237977 374247910 /nfs/dbraw/zinc/24/79/10/374247910.db2.gz XJWULZAPFVTMTG-APPZFPTMSA-N 1 1 290.366 1.322 20 5 CDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954311 374307339 /nfs/dbraw/zinc/30/73/39/374307339.db2.gz ZKASMXQBSDMAHF-QWHCGFSZSA-N 1 1 294.351 1.924 20 5 CDBDMO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000274864956 374686626 /nfs/dbraw/zinc/68/66/26/374686626.db2.gz JCBAUNMEHRPHRB-UHFFFAOYSA-N 1 1 286.291 1.236 20 5 CDBDMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000274864956 374686631 /nfs/dbraw/zinc/68/66/31/374686631.db2.gz JCBAUNMEHRPHRB-UHFFFAOYSA-N 1 1 286.291 1.236 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780713 374750727 /nfs/dbraw/zinc/75/07/27/374750727.db2.gz XNNNBWHZONIISF-ZYHUDNBSSA-N 1 1 280.328 1.429 20 5 CDBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000154780713 374750735 /nfs/dbraw/zinc/75/07/35/374750735.db2.gz XNNNBWHZONIISF-ZYHUDNBSSA-N 1 1 280.328 1.429 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276826562 374751064 /nfs/dbraw/zinc/75/10/64/374751064.db2.gz GBSDLBFEOBVIFG-BETUJISGSA-N 1 1 266.297 1.440 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC[C@H]1CCCO1)CC2 ZINC000332117994 375006904 /nfs/dbraw/zinc/00/69/04/375006904.db2.gz DFHSBVFFYCIJAC-CYBMUJFWSA-N 1 1 277.324 1.917 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(O)C1 ZINC000332447471 375031154 /nfs/dbraw/zinc/03/11/54/375031154.db2.gz LOIXXOTUTDWPKJ-UHFFFAOYSA-N 1 1 266.297 1.559 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(O)C1 ZINC000332447471 375031159 /nfs/dbraw/zinc/03/11/59/375031159.db2.gz LOIXXOTUTDWPKJ-UHFFFAOYSA-N 1 1 266.297 1.559 20 5 CDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000601185998 375393372 /nfs/dbraw/zinc/39/33/72/375393372.db2.gz BARSQGPWJLZDBW-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000351957612 375345033 /nfs/dbraw/zinc/34/50/33/375345033.db2.gz HEEDIWVGQZBNMH-TVQRCGJNSA-N 1 1 294.307 1.274 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000351957612 375345040 /nfs/dbraw/zinc/34/50/40/375345040.db2.gz HEEDIWVGQZBNMH-TVQRCGJNSA-N 1 1 294.307 1.274 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347330788 375557044 /nfs/dbraw/zinc/55/70/44/375557044.db2.gz FBCNSUGHVKWQAJ-BMGYJQCNSA-N 1 1 289.335 1.948 20 5 CDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000347330788 375557048 /nfs/dbraw/zinc/55/70/48/375557048.db2.gz FBCNSUGHVKWQAJ-BMGYJQCNSA-N 1 1 289.335 1.948 20 5 CDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000354512427 375720352 /nfs/dbraw/zinc/72/03/52/375720352.db2.gz SPKYNTYSWFXRHN-MNOVXSKESA-N 1 1 279.344 1.482 20 5 CDBDMO Cc1c(C[N@@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000294216312 375772500 /nfs/dbraw/zinc/77/25/00/375772500.db2.gz NALNFSIOBKNENN-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO Cc1c(C[N@H+]2CCCN(C=O)CC2)cccc1[N+](=O)[O-] ZINC000294216312 375772503 /nfs/dbraw/zinc/77/25/03/375772503.db2.gz NALNFSIOBKNENN-UHFFFAOYSA-N 1 1 277.324 1.567 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000357815947 375936747 /nfs/dbraw/zinc/93/67/47/375936747.db2.gz XCLLELXHJUBYST-JTQLQIEISA-N 1 1 267.333 1.917 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410571 376108802 /nfs/dbraw/zinc/10/88/02/376108802.db2.gz PBAOJGJSMKAELR-SNVBAGLBSA-N 1 1 287.323 1.324 20 5 CDBDMO C[C@@]1(F)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000347383172 376053044 /nfs/dbraw/zinc/05/30/44/376053044.db2.gz OFKAHZDIHSHNLG-GXTWGEPZSA-N 1 1 298.314 1.768 20 5 CDBDMO C[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266808114 376059915 /nfs/dbraw/zinc/05/99/15/376059915.db2.gz OXEAIVZWNCPJGE-UHFFFAOYSA-N 1 1 292.339 1.094 20 5 CDBDMO C[C@H](O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450482372 251305254 /nfs/dbraw/zinc/30/52/54/251305254.db2.gz GIKWAIWEOUZLRJ-JTQLQIEISA-N 1 1 250.298 1.724 20 5 CDBDMO O=[N+]([O-])c1cccc(F)c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000289522414 285156525 /nfs/dbraw/zinc/15/65/25/285156525.db2.gz DHEOUIKDWYYIEH-UHFFFAOYSA-N 1 1 291.286 1.784 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000015130026 285166342 /nfs/dbraw/zinc/16/63/42/285166342.db2.gz YFTLMMUHDHFOMY-LBPRGKRZSA-N 1 1 292.339 1.291 20 5 CDBDMO Cc1nn(C)c(NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450950778 390583054 /nfs/dbraw/zinc/58/30/54/390583054.db2.gz NVWNDXQEPDRJAL-UHFFFAOYSA-N 1 1 281.360 1.923 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697242 390657445 /nfs/dbraw/zinc/65/74/45/390657445.db2.gz MNOZMTCGPYBHQO-IUCAKERBSA-N 1 1 270.358 1.970 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000619697242 390657451 /nfs/dbraw/zinc/65/74/51/390657451.db2.gz MNOZMTCGPYBHQO-IUCAKERBSA-N 1 1 270.358 1.970 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000337315864 390807212 /nfs/dbraw/zinc/80/72/12/390807212.db2.gz KAEAVTKMZBEYQC-UHFFFAOYSA-N 1 1 279.296 1.039 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425728 390966596 /nfs/dbraw/zinc/96/65/96/390966596.db2.gz ORMKZBCUPXJJHK-ZWNOBZJWSA-N 1 1 293.323 1.379 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408443806 391439078 /nfs/dbraw/zinc/43/90/78/391439078.db2.gz RFNUDBQCMJMZNK-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408443806 391439081 /nfs/dbraw/zinc/43/90/81/391439081.db2.gz RFNUDBQCMJMZNK-LLVKDONJSA-N 1 1 277.324 1.679 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192766739 533658844 /nfs/dbraw/zinc/65/88/44/533658844.db2.gz IOUYUXVSNBEEQU-SNVBAGLBSA-N 1 1 250.298 1.940 20 5 CDBDMO CO[C@H](C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248419333 391626958 /nfs/dbraw/zinc/62/69/58/391626958.db2.gz LACBIKVMHQCCDF-GHMZBOCLSA-N 1 1 280.328 1.511 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000457721452 391572024 /nfs/dbraw/zinc/57/20/24/391572024.db2.gz MQCRWKTWXAWGLC-UHFFFAOYSA-N 1 1 295.314 1.485 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000192636288 391724560 /nfs/dbraw/zinc/72/45/60/391724560.db2.gz AEHBAKZGGUHOAI-GFCCVEGCSA-N 1 1 295.387 1.898 20 5 CDBDMO CC[C@]1(C)COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341764714 130028746 /nfs/dbraw/zinc/02/87/46/130028746.db2.gz SNUUONWKPIIYMD-CQSZACIVSA-N 1 1 295.339 1.257 20 5 CDBDMO CC[C@]1(C)COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341764714 130028748 /nfs/dbraw/zinc/02/87/48/130028748.db2.gz SNUUONWKPIIYMD-CQSZACIVSA-N 1 1 295.339 1.257 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000190245641 130079342 /nfs/dbraw/zinc/07/93/42/130079342.db2.gz KHOIEYFODQNYNQ-UHFFFAOYSA-N 1 1 293.657 1.572 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[N@@H+](C)C1CC1 ZINC000263933332 131363667 /nfs/dbraw/zinc/36/36/67/131363667.db2.gz DNRGXDBTTUMZDW-QMMMGPOBSA-N 1 1 266.301 1.135 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596091587 392621137 /nfs/dbraw/zinc/62/11/37/392621137.db2.gz OACXKFHWMXVQQG-MRVPVSSYSA-N 1 1 252.274 1.202 20 5 CDBDMO COCCCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000419392318 392891103 /nfs/dbraw/zinc/89/11/03/392891103.db2.gz YGUMHYMHNMWEBW-UHFFFAOYSA-N 1 1 256.306 1.150 20 5 CDBDMO C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486333 392963485 /nfs/dbraw/zinc/96/34/85/392963485.db2.gz WIECRKWQPQWHIE-SMDDNHRTSA-N 1 1 278.356 1.149 20 5 CDBDMO CC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430238651 393095521 /nfs/dbraw/zinc/09/55/21/393095521.db2.gz QTJZDAFKUGNMJT-UHFFFAOYSA-N 1 1 268.313 1.808 20 5 CDBDMO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275427241 135106768 /nfs/dbraw/zinc/10/67/68/135106768.db2.gz UXCTZGKCQZLGCI-MNOVXSKESA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275427241 135106770 /nfs/dbraw/zinc/10/67/70/135106770.db2.gz UXCTZGKCQZLGCI-MNOVXSKESA-N 1 1 297.330 1.625 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000176213433 148028799 /nfs/dbraw/zinc/02/87/99/148028799.db2.gz PKIBTCJTQFIPNQ-NSHDSACASA-N 1 1 290.327 1.394 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352657650 155328355 /nfs/dbraw/zinc/32/83/55/155328355.db2.gz BIVQGIJSUUITHY-OLZOCXBDSA-N 1 1 293.323 1.379 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344029758 152395283 /nfs/dbraw/zinc/39/52/83/152395283.db2.gz AQXXZZHEPKAXEV-TZMCWYRMSA-N 1 1 294.355 1.274 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000375531451 160390292 /nfs/dbraw/zinc/39/02/92/160390292.db2.gz ADERGDQAEWTNJY-ZDUSSCGKSA-N 1 1 294.355 1.719 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354005538 156220571 /nfs/dbraw/zinc/22/05/71/156220571.db2.gz HHOFLKYARVMKBX-SECBINFHSA-N 1 1 266.301 1.089 20 5 CDBDMO CN(C)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358747812 158011548 /nfs/dbraw/zinc/01/15/48/158011548.db2.gz ZVHMDXSGEHEODC-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO Cc1nc2ccc(Cn3cnc([N+](=O)[O-])n3)cc2[nH]1 ZINC000358865448 158057384 /nfs/dbraw/zinc/05/73/84/158057384.db2.gz YAHIRUIDOHHKEY-UHFFFAOYSA-N 1 1 258.241 1.419 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595463 159190172 /nfs/dbraw/zinc/19/01/72/159190172.db2.gz CYVZXZIQJAKPAY-FZMZJTMJSA-N 1 1 291.351 1.451 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1C ZINC000071333886 176126595 /nfs/dbraw/zinc/12/65/95/176126595.db2.gz SRSTUUITUSHWHB-UHFFFAOYSA-N 1 1 276.296 1.627 20 5 CDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078640389 177364216 /nfs/dbraw/zinc/36/42/16/177364216.db2.gz ZORWOQLUSFHPDK-ZETCQYMHSA-N 1 1 278.355 1.179 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420609053 270379443 /nfs/dbraw/zinc/37/94/43/270379443.db2.gz GELBDVVMVRBMAR-UHFFFAOYSA-N 1 1 292.339 1.224 20 5 CDBDMO COCC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105790988 274031223 /nfs/dbraw/zinc/03/12/23/274031223.db2.gz OPCQPRHXPACARW-LBPRGKRZSA-N 1 1 279.340 1.752 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192796705 276073698 /nfs/dbraw/zinc/07/36/98/276073698.db2.gz HITDDBUQCWTWGO-NSHDSACASA-N 1 1 278.356 1.955 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080256313 279029359 /nfs/dbraw/zinc/02/93/59/279029359.db2.gz CROKAAGSWCDSMM-UHFFFAOYSA-N 1 1 294.355 1.099 20 5 CDBDMO COc1cc(-c2nc(C[NH3+])no2)cc([N+](=O)[O-])c1OC ZINC000567850044 293889170 /nfs/dbraw/zinc/88/91/70/293889170.db2.gz YVZGVRAKUXHCPB-UHFFFAOYSA-N 1 1 280.240 1.121 20 5 CDBDMO C[C@@H]1CCNC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579580818 324221511 /nfs/dbraw/zinc/22/15/11/324221511.db2.gz MYMWKTWHTXKUCZ-RISCZKNCSA-N 1 1 279.340 1.561 20 5 CDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000245715389 524475828 /nfs/dbraw/zinc/47/58/28/524475828.db2.gz URHRPWKJXJUPHI-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000245715389 524475839 /nfs/dbraw/zinc/47/58/39/524475839.db2.gz URHRPWKJXJUPHI-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000245715389 524475853 /nfs/dbraw/zinc/47/58/53/524475853.db2.gz URHRPWKJXJUPHI-VHSXEESVSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985127 524573880 /nfs/dbraw/zinc/57/38/80/524573880.db2.gz SXEMHWBMDYTLFA-JTQLQIEISA-N 1 1 295.368 1.983 20 5 CDBDMO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487162 /nfs/dbraw/zinc/48/71/62/525487162.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 1 1 292.383 1.491 20 5 CDBDMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487167 /nfs/dbraw/zinc/48/71/67/525487167.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 1 1 292.383 1.491 20 5 CDBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(C)C ZINC000304287924 528671342 /nfs/dbraw/zinc/67/13/42/528671342.db2.gz BDRZBCSOXHMTKT-DGCLKSJQSA-N 1 1 284.360 1.519 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000746382884 576773894 /nfs/dbraw/zinc/77/38/94/576773894.db2.gz OZLWERQAYLAWRD-CYBMUJFWSA-N 1 1 293.371 1.413 20 5 CDBDMO CCOc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000755072414 576929269 /nfs/dbraw/zinc/92/92/69/576929269.db2.gz OALDSFHUSSNKEM-DOMZBBRYSA-N 1 1 292.335 1.808 20 5 CDBDMO CCOc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000755072414 576929271 /nfs/dbraw/zinc/92/92/71/576929271.db2.gz OALDSFHUSSNKEM-DOMZBBRYSA-N 1 1 292.335 1.808 20 5 CDBDMO CC(C)[N@@H+](C)CCCNc1c([N+](=O)[O-])cnn1C ZINC000891789570 617591568 /nfs/dbraw/zinc/59/15/68/617591568.db2.gz PAMJXJWRIRFSOO-UHFFFAOYSA-N 1 1 255.322 1.471 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891915202 617766445 /nfs/dbraw/zinc/76/64/45/617766445.db2.gz GLWXJFFWYUOIAV-JTQLQIEISA-N 1 1 296.323 1.920 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891915202 617766449 /nfs/dbraw/zinc/76/64/49/617766449.db2.gz GLWXJFFWYUOIAV-JTQLQIEISA-N 1 1 296.323 1.920 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000893874300 618122157 /nfs/dbraw/zinc/12/21/57/618122157.db2.gz VVQQICUGRGEHSH-SNVBAGLBSA-N 1 1 295.314 1.866 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000893888858 618159150 /nfs/dbraw/zinc/15/91/50/618159150.db2.gz PMOLBDHDNYVFGI-YGRLFVJLSA-N 1 1 294.307 1.123 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC000893888858 618159153 /nfs/dbraw/zinc/15/91/53/618159153.db2.gz PMOLBDHDNYVFGI-YGRLFVJLSA-N 1 1 294.307 1.123 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000893941938 618205990 /nfs/dbraw/zinc/20/59/90/618205990.db2.gz XPBGCGXBULUPAU-IUCAKERBSA-N 1 1 293.352 1.444 20 5 CDBDMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928571902 619418368 /nfs/dbraw/zinc/41/83/68/619418368.db2.gz DVCZMIWOCPTEII-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO COc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928571902 619418372 /nfs/dbraw/zinc/41/83/72/619418372.db2.gz DVCZMIWOCPTEII-SNVBAGLBSA-N 1 1 279.296 1.037 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928571917 619420265 /nfs/dbraw/zinc/42/02/65/619420265.db2.gz DZFLLJBYJMRZSP-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928571917 619420269 /nfs/dbraw/zinc/42/02/69/619420269.db2.gz DZFLLJBYJMRZSP-LLVKDONJSA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244891 619485679 /nfs/dbraw/zinc/48/56/79/619485679.db2.gz ADZXVKHMCQGGAE-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@@H]2CN(C)CCN2C)c([N+](=O)[O-])c1 ZINC000895244891 619485681 /nfs/dbraw/zinc/48/56/81/619485681.db2.gz ADZXVKHMCQGGAE-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895244891 619485683 /nfs/dbraw/zinc/48/56/83/619485683.db2.gz ADZXVKHMCQGGAE-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895244891 619485684 /nfs/dbraw/zinc/48/56/84/619485684.db2.gz ADZXVKHMCQGGAE-DOMZBBRYSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246808 619493731 /nfs/dbraw/zinc/49/37/31/619493731.db2.gz QJFWWTUNAVMLGU-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CN(C)CCN1C ZINC000895246808 619493735 /nfs/dbraw/zinc/49/37/35/619493735.db2.gz QJFWWTUNAVMLGU-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246808 619493738 /nfs/dbraw/zinc/49/37/38/619493738.db2.gz QJFWWTUNAVMLGU-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000895246808 619493740 /nfs/dbraw/zinc/49/37/40/619493740.db2.gz QJFWWTUNAVMLGU-DGCLKSJQSA-N 1 1 293.371 1.344 20 5 CDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000895328484 619566051 /nfs/dbraw/zinc/56/60/51/619566051.db2.gz GNBIGCOIPBLBQE-MVOUDAGVSA-N 1 1 292.335 1.426 20 5 CDBDMO Cc1ccc(NCCNc2c([N+](=O)[O-])cnn2C)[nH+]c1 ZINC000896454445 620097518 /nfs/dbraw/zinc/09/75/18/620097518.db2.gz YODSNSZJHFHJKF-UHFFFAOYSA-N 1 1 276.300 1.556 20 5 CDBDMO C[N@@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000900771229 623458641 /nfs/dbraw/zinc/45/86/41/623458641.db2.gz QSYJLKHFMKBCCT-UHFFFAOYSA-N 1 1 289.335 1.968 20 5 CDBDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905026906 626390826 /nfs/dbraw/zinc/39/08/26/626390826.db2.gz ONLANUYYIHPSAX-UHFFFAOYSA-N 1 1 288.351 1.915 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000905090945 626605499 /nfs/dbraw/zinc/60/54/99/626605499.db2.gz WGVBRFCIITVUTG-STQMWFEESA-N 1 1 250.298 1.773 20 5 CDBDMO C[N@H+]1CCC[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000917321974 632198114 /nfs/dbraw/zinc/19/81/14/632198114.db2.gz XHLJETXLHQKOGO-SECBINFHSA-N 1 1 271.704 1.504 20 5 CDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170334542 1162338289 /nfs/dbraw/zinc/33/82/89/1162338289.db2.gz GOZPWXKGEVUOKY-WCQYABFASA-N 1 1 294.351 1.991 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC000132897569 1175799054 /nfs/dbraw/zinc/79/90/54/1175799054.db2.gz YWHNSURUALBFQY-QMMMGPOBSA-N 1 1 257.240 1.989 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974230 1181016460 /nfs/dbraw/zinc/01/64/60/1181016460.db2.gz NWXUFEFPZUTWED-STQMWFEESA-N 1 1 294.355 1.867 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000246974230 1181016466 /nfs/dbraw/zinc/01/64/66/1181016466.db2.gz NWXUFEFPZUTWED-STQMWFEESA-N 1 1 294.355 1.867 20 5 CDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165039320 721904260 /nfs/dbraw/zinc/90/42/60/721904260.db2.gz ROTLAMRMXHYWEN-GFCCVEGCSA-N 1 1 292.339 1.291 20 5 CDBDMO CC[N@H+](CCO)CCNCc1cccc([N+](=O)[O-])c1C ZINC000873106927 790454647 /nfs/dbraw/zinc/45/46/47/790454647.db2.gz IHANLXAYXCNGEU-UHFFFAOYSA-N 1 1 281.356 1.307 20 5 CDBDMO CC[N@@H+](CCO)CCNCc1cccc([N+](=O)[O-])c1C ZINC000873106927 790454660 /nfs/dbraw/zinc/45/46/60/790454660.db2.gz IHANLXAYXCNGEU-UHFFFAOYSA-N 1 1 281.356 1.307 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000886241236 790484377 /nfs/dbraw/zinc/48/43/77/790484377.db2.gz RRASXEUCCMLGCN-LBPRGKRZSA-N 1 1 277.324 1.869 20 5 CDBDMO CC[S@@](=O)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877042560 790820145 /nfs/dbraw/zinc/82/01/45/790820145.db2.gz YISVQVWXKHFFGR-HXUWFJFHSA-N 1 1 297.336 1.594 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000886311781 790855409 /nfs/dbraw/zinc/85/54/09/790855409.db2.gz HJGSJNIGALLEOG-NSHDSACASA-N 1 1 273.296 1.811 20 5 CDBDMO CC(C)[N@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823059094 791063651 /nfs/dbraw/zinc/06/36/51/791063651.db2.gz LGQKWPKANFTEPW-UHFFFAOYSA-N 1 1 285.388 1.765 20 5 CDBDMO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000852429869 791099010 /nfs/dbraw/zinc/09/90/10/791099010.db2.gz ANMHMAXLZJZTCW-ZDUSSCGKSA-N 1 1 291.307 1.621 20 5 CDBDMO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000852429869 791099021 /nfs/dbraw/zinc/09/90/21/791099021.db2.gz ANMHMAXLZJZTCW-ZDUSSCGKSA-N 1 1 291.307 1.621 20 5 CDBDMO Cc1c(Cc2noc([C@@H](C)[NH3+])n2)cccc1[N+](=O)[O-] ZINC000843191389 791148707 /nfs/dbraw/zinc/14/87/07/791148707.db2.gz GTEWPKVGGJJWOX-MRVPVSSYSA-N 1 1 262.269 1.897 20 5 CDBDMO CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427618 789862886 /nfs/dbraw/zinc/86/28/86/789862886.db2.gz IKYJQCJFMHRRNI-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843427618 789862890 /nfs/dbraw/zinc/86/28/90/789862890.db2.gz IKYJQCJFMHRRNI-UHFFFAOYSA-N 1 1 285.731 1.816 20 5 CDBDMO CCn1ncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000838934116 790040361 /nfs/dbraw/zinc/04/03/61/790040361.db2.gz SLIATXSMQMUWME-UHFFFAOYSA-N 1 1 291.311 1.375 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[N+](=O)[O-] ZINC000930442669 790144024 /nfs/dbraw/zinc/14/40/24/790144024.db2.gz XKKKULXNOYGPHY-UHFFFAOYSA-N 1 1 253.258 1.346 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[N+](=O)[O-] ZINC000930442669 790144042 /nfs/dbraw/zinc/14/40/42/790144042.db2.gz XKKKULXNOYGPHY-UHFFFAOYSA-N 1 1 253.258 1.346 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)CCc1ccc([N+](=O)[O-])cc1 ZINC000933866914 790239206 /nfs/dbraw/zinc/23/92/06/790239206.db2.gz VNMAVSVZGBAINV-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000048331256 791817751 /nfs/dbraw/zinc/81/77/51/791817751.db2.gz RLDDBYKRYRYERI-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000048331256 791817752 /nfs/dbraw/zinc/81/77/52/791817752.db2.gz RLDDBYKRYRYERI-NSHDSACASA-N 1 1 254.261 1.691 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000830703550 791870096 /nfs/dbraw/zinc/87/00/96/791870096.db2.gz DGAJAQQKHHTKLM-ZDUSSCGKSA-N 1 1 282.340 1.579 20 5 CDBDMO CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025640983 791888121 /nfs/dbraw/zinc/88/81/21/791888121.db2.gz YQZWVOPGVJNYEF-WDNDVIMCSA-N 1 1 275.308 1.161 20 5 CDBDMO O=C(CC1CC[NH+](CC[N+](=O)[O-])CC1)NC1CCCC1 ZINC000929341933 791948184 /nfs/dbraw/zinc/94/81/84/791948184.db2.gz GFCJBYPPIYWVOL-UHFFFAOYSA-N 1 1 283.372 1.424 20 5 CDBDMO COC[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582753 792039555 /nfs/dbraw/zinc/03/95/55/792039555.db2.gz BPFORVJJVABCBI-FZMZJTMJSA-N 1 1 280.324 1.597 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000859572226 792306426 /nfs/dbraw/zinc/30/64/26/792306426.db2.gz YIRWLSNADFULGW-ZDUSSCGKSA-N 1 1 280.324 1.597 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCOC1=O ZINC000801600129 792708516 /nfs/dbraw/zinc/70/85/16/792708516.db2.gz LTJMAFRVDUCQMY-UHFFFAOYSA-N 1 1 293.323 1.521 20 5 CDBDMO Cc1nn(C[N@H+](C)C[C@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000176095272 792734043 /nfs/dbraw/zinc/73/40/43/792734043.db2.gz RWJDICYNCBIZMD-LLVKDONJSA-N 1 1 268.317 1.334 20 5 CDBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000176095272 792734059 /nfs/dbraw/zinc/73/40/59/792734059.db2.gz RWJDICYNCBIZMD-LLVKDONJSA-N 1 1 268.317 1.334 20 5 CDBDMO Cc1nn(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000840151763 793092980 /nfs/dbraw/zinc/09/29/80/793092980.db2.gz BLTWTGCGJWGTGX-GFCCVEGCSA-N 1 1 281.360 1.472 20 5 CDBDMO COC(=O)C1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818174889 793127362 /nfs/dbraw/zinc/12/73/62/793127362.db2.gz SYUVFHFFSIYVAB-GFCCVEGCSA-N 1 1 294.307 1.123 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)cc1Cl ZINC000836779899 793311453 /nfs/dbraw/zinc/31/14/53/793311453.db2.gz XOBYQMVQFSPXJE-UHFFFAOYSA-N 1 1 297.742 1.992 20 5 CDBDMO CCOC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000113923410 793794565 /nfs/dbraw/zinc/79/45/65/793794565.db2.gz YVKUDEQZQVCHOQ-LLVKDONJSA-N 1 1 268.317 1.497 20 5 CDBDMO CCOC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000113923410 793794602 /nfs/dbraw/zinc/79/46/02/793794602.db2.gz YVKUDEQZQVCHOQ-LLVKDONJSA-N 1 1 268.317 1.497 20 5 CDBDMO C[N@H+](CCCF)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000887140166 794024246 /nfs/dbraw/zinc/02/42/46/794024246.db2.gz SUSUQKSAVMJSSG-UHFFFAOYSA-N 1 1 295.314 1.775 20 5 CDBDMO C[N@@H+](CCCF)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000887140166 794024255 /nfs/dbraw/zinc/02/42/55/794024255.db2.gz SUSUQKSAVMJSSG-UHFFFAOYSA-N 1 1 295.314 1.775 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000851749166 794034096 /nfs/dbraw/zinc/03/40/96/794034096.db2.gz BOWYHSCZEYFEDV-SNVBAGLBSA-N 1 1 297.311 1.476 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000851749166 794034104 /nfs/dbraw/zinc/03/41/04/794034104.db2.gz BOWYHSCZEYFEDV-SNVBAGLBSA-N 1 1 297.311 1.476 20 5 CDBDMO Cc1ocnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819195304 794519416 /nfs/dbraw/zinc/51/94/16/794519416.db2.gz ZQJOSYICTMWAKH-ZDUSSCGKSA-N 1 1 277.280 1.714 20 5 CDBDMO Cn1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000886571906 794950651 /nfs/dbraw/zinc/95/06/51/794950651.db2.gz ODWVUQIFTHHYBV-AOOOYVTPSA-N 1 1 268.342 1.123 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000859971748 795070341 /nfs/dbraw/zinc/07/03/41/795070341.db2.gz NNCJCLHYFCCYNU-DDTOSNHZSA-N 1 1 280.324 1.331 20 5 CDBDMO CC(C)[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885984156 795096391 /nfs/dbraw/zinc/09/63/91/795096391.db2.gz YWJZEPCWOWXLED-UHFFFAOYSA-N 1 1 278.356 1.906 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(Cn3nccc3[N+](=O)[O-])C2)C1 ZINC000840085200 795375090 /nfs/dbraw/zinc/37/50/90/795375090.db2.gz BPHVVQNZGQWFFI-ZDUSSCGKSA-N 1 1 279.344 1.167 20 5 CDBDMO CN(C(=O)C[N@H+](C)CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000887140086 795823495 /nfs/dbraw/zinc/82/34/95/795823495.db2.gz PRTVCEVNASUZQF-UHFFFAOYSA-N 1 1 283.303 1.849 20 5 CDBDMO CN(C(=O)C[N@@H+](C)CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000887140086 795823498 /nfs/dbraw/zinc/82/34/98/795823498.db2.gz PRTVCEVNASUZQF-UHFFFAOYSA-N 1 1 283.303 1.849 20 5 CDBDMO Nc1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861384186 795830867 /nfs/dbraw/zinc/83/08/67/795830867.db2.gz HRQFKDCQXVKGJY-UHFFFAOYSA-N 1 1 265.269 1.040 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000842614005 795880043 /nfs/dbraw/zinc/88/00/43/795880043.db2.gz FXFHKNHCKIFWGZ-NEPJUHHUSA-N 1 1 280.328 1.640 20 5 CDBDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577788 795885041 /nfs/dbraw/zinc/88/50/41/795885041.db2.gz ZAWGGWDQVAFZCU-MRVPVSSYSA-N 1 1 261.285 1.751 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000853966851 795897215 /nfs/dbraw/zinc/89/72/15/795897215.db2.gz ZGIUMGLDNCFZRP-OAHLLOKOSA-N 1 1 291.351 1.630 20 5 CDBDMO CC(C)(C)[C@]1(C[NH3+])CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000866707029 796024417 /nfs/dbraw/zinc/02/44/17/796024417.db2.gz LFJOSKRKGNJUIR-AWEZNQCLSA-N 1 1 295.387 1.488 20 5 CDBDMO CC(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195230951 796317162 /nfs/dbraw/zinc/31/71/62/796317162.db2.gz AIUCNGOAZLTSAO-UHFFFAOYSA-N 1 1 295.314 1.834 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)C1 ZINC001173226821 912321118 /nfs/dbraw/zinc/32/11/18/912321118.db2.gz LUUYRFIUOPRREA-AAEUAGOBSA-N 1 1 264.325 1.840 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1NC1C[NH+](C(C)C)C1 ZINC001168314641 908987551 /nfs/dbraw/zinc/98/75/51/908987551.db2.gz PKFYTZOYVPYIFY-UHFFFAOYSA-N 1 1 293.323 1.886 20 5 CDBDMO O=C(NCC1CC[NH+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400340 936551542 /nfs/dbraw/zinc/55/15/42/936551542.db2.gz QOQUKEBZDXKWOQ-ZIAGYGMSSA-N 1 1 295.383 1.280 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169005922 927609672 /nfs/dbraw/zinc/60/96/72/927609672.db2.gz DHZPEUIQASJJRO-IJLUTSLNSA-N 1 1 270.329 1.317 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010545 927616237 /nfs/dbraw/zinc/61/62/37/927616237.db2.gz DKLGIDINDVVMKF-IHRRRGAJSA-N 1 1 270.373 1.916 20 5 CDBDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011935 927617781 /nfs/dbraw/zinc/61/77/81/927617781.db2.gz NTWLCVZNTMZUDU-QWRGUYRKSA-N 1 1 272.345 1.705 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](O)[C@H](F)CC2)C1 ZINC001169013004 927620634 /nfs/dbraw/zinc/62/06/34/927620634.db2.gz SWKWTBGUVXHPFX-WRWGMCAJSA-N 1 1 260.309 1.227 20 5 CDBDMO CCCC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)OC ZINC001168986802 927622978 /nfs/dbraw/zinc/62/29/78/927622978.db2.gz ZRKULWNEZMZYBL-GRYCIOLGSA-N 1 1 272.345 1.753 20 5 CDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169027002 927633441 /nfs/dbraw/zinc/63/34/41/927633441.db2.gz OQXIVCUSIMZBSI-UPJWGTAASA-N 1 1 283.372 1.232 20 5 CDBDMO CN1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038683 927651022 /nfs/dbraw/zinc/65/10/22/927651022.db2.gz KEDNAJTYQJDPRV-MJBXVCDLSA-N 1 1 267.373 1.459 20 5 CDBDMO CN1CC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169038683 927651029 /nfs/dbraw/zinc/65/10/29/927651029.db2.gz KEDNAJTYQJDPRV-MJBXVCDLSA-N 1 1 267.373 1.459 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001169019018 927659967 /nfs/dbraw/zinc/65/99/67/927659967.db2.gz GEGJZZQUFIUJCB-CABCVRRESA-N 1 1 293.411 1.850 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cnccn3)C2)C1 ZINC001169052447 927669667 /nfs/dbraw/zinc/66/96/67/927669667.db2.gz FXVPMPAWFGRZRO-JHJVBQTASA-N 1 1 292.339 1.375 20 5 CDBDMO COC[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000112960503 928349725 /nfs/dbraw/zinc/34/97/25/928349725.db2.gz BOIMOCVZHWXOEK-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO COC[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000112960503 928349736 /nfs/dbraw/zinc/34/97/36/928349736.db2.gz BOIMOCVZHWXOEK-LBPRGKRZSA-N 1 1 282.344 1.724 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817714 937389158 /nfs/dbraw/zinc/38/91/58/937389158.db2.gz ZANPXYUTTURSDE-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001152817714 937389160 /nfs/dbraw/zinc/38/91/60/937389160.db2.gz ZANPXYUTTURSDE-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO CN(C)c1ccc(N[C@H](N)CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170900144 930699922 /nfs/dbraw/zinc/69/99/22/930699922.db2.gz JBVOZJNJKYWTBZ-LBPRGKRZSA-N 1 1 267.333 1.096 20 5 CDBDMO CCOc1cc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170902852 930708871 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/nfs/dbraw/zinc/96/60/32/343966032.db2.gz SMWOMUTZSZSTLV-LLVKDONJSA-N 1 1 265.313 1.382 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000601913998 344279569 /nfs/dbraw/zinc/27/95/69/344279569.db2.gz TVUQXBIDNNHBFJ-VIFPVBQESA-N 1 1 279.300 1.471 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000602914144 344647548 /nfs/dbraw/zinc/64/75/48/344647548.db2.gz RUFIPKOTGPJKOE-JQWIXIFHSA-N 1 1 282.344 1.050 20 5 CDBDMO COCCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066379026 344715890 /nfs/dbraw/zinc/71/58/90/344715890.db2.gz RURGXATXKNXREB-ZDUSSCGKSA-N 1 1 298.339 1.303 20 5 CDBDMO CN1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265674639 362571693 /nfs/dbraw/zinc/57/16/93/362571693.db2.gz YXBCALUAMIKYKU-ZDUSSCGKSA-N 1 1 277.324 1.300 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000265882763 362628129 /nfs/dbraw/zinc/62/81/29/362628129.db2.gz PVUCREDSUHCIIC-LBPRGKRZSA-N 1 1 280.324 1.678 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOc3ccccc3C2)c1 ZINC000610447459 346283945 /nfs/dbraw/zinc/28/39/45/346283945.db2.gz UKKMYONLZAZMSZ-UHFFFAOYSA-N 1 1 288.307 1.686 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOc3ccccc3C2)c1 ZINC000610447459 346283948 /nfs/dbraw/zinc/28/39/48/346283948.db2.gz UKKMYONLZAZMSZ-UHFFFAOYSA-N 1 1 288.307 1.686 20 5 CDBDMO Cc1cnc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000610479258 346289386 /nfs/dbraw/zinc/28/93/86/346289386.db2.gz BYRXAWXVJKHVGT-UHFFFAOYSA-N 1 1 294.355 1.191 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069707 362712509 /nfs/dbraw/zinc/71/25/09/362712509.db2.gz KEJFOQMZUVWNTA-MWLCHTKSSA-N 1 1 280.328 1.335 20 5 CDBDMO CC[N@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611084627 346604415 /nfs/dbraw/zinc/60/44/15/346604415.db2.gz HUPUCKZUJWNTQQ-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611254728 346721425 /nfs/dbraw/zinc/72/14/25/346721425.db2.gz 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180298680 /nfs/dbraw/zinc/29/86/80/180298680.db2.gz SSFQCGIXYXQNJE-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO C[C@@H](O)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000135644238 187845320 /nfs/dbraw/zinc/84/53/20/187845320.db2.gz NAGSLFAFJOKQBJ-SECBINFHSA-N 1 1 283.284 1.706 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000135644238 187845322 /nfs/dbraw/zinc/84/53/22/187845322.db2.gz NAGSLFAFJOKQBJ-SECBINFHSA-N 1 1 283.284 1.706 20 5 CDBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153471335 188084864 /nfs/dbraw/zinc/08/48/64/188084864.db2.gz ZQZYBNDBGOEZFU-CYBMUJFWSA-N 1 1 291.351 1.690 20 5 CDBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154475434 188144010 /nfs/dbraw/zinc/14/40/10/188144010.db2.gz LGGLMVKNBQUSCT-LBPRGKRZSA-N 1 1 295.339 1.214 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC3(CCC3)C2)n1 ZINC000154249253 188131753 /nfs/dbraw/zinc/13/17/53/188131753.db2.gz VQEDHNIJGFHRFE-UHFFFAOYSA-N 1 1 266.301 1.046 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC3(CCC3)C2)n1 ZINC000154249253 188131754 /nfs/dbraw/zinc/13/17/54/188131754.db2.gz VQEDHNIJGFHRFE-UHFFFAOYSA-N 1 1 266.301 1.046 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000155694497 188222530 /nfs/dbraw/zinc/22/25/30/188222530.db2.gz HAXDKCFSFSRZJE-LLVKDONJSA-N 1 1 296.327 1.066 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC1=CC[N@@H+](C)CC1 ZINC000271891870 191392802 /nfs/dbraw/zinc/39/28/02/191392802.db2.gz XFOUPNYUDHXCRG-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401643222 356341061 /nfs/dbraw/zinc/34/10/61/356341061.db2.gz GJLFOVSKRSQKFL-MFKMUULPSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273652496 192246900 /nfs/dbraw/zinc/24/69/00/192246900.db2.gz UUALKTXWAWTUDC-LLVKDONJSA-N 1 1 279.344 1.917 20 5 CDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000273714806 192274785 /nfs/dbraw/zinc/27/47/85/192274785.db2.gz FURAZZGSACLHPO-SECBINFHSA-N 1 1 263.301 1.447 20 5 CDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473034 363547330 /nfs/dbraw/zinc/54/73/30/363547330.db2.gz VWDZACVPIKUQHC-ZDUSSCGKSA-N 1 1 282.344 1.682 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074970 357293167 /nfs/dbraw/zinc/29/31/67/357293167.db2.gz XZGZGWFWEITQEL-DTWKUNHWSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074970 357293172 /nfs/dbraw/zinc/29/31/72/357293172.db2.gz XZGZGWFWEITQEL-DTWKUNHWSA-N 1 1 283.353 1.821 20 5 CDBDMO CCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181642328 357370519 /nfs/dbraw/zinc/37/05/19/357370519.db2.gz UUQPBPGAHDOOPK-LLVKDONJSA-N 1 1 268.313 1.676 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000264520300 357355866 /nfs/dbraw/zinc/35/58/66/357355866.db2.gz ZWHPMNDJXSWEGO-LBPRGKRZSA-N 1 1 293.371 1.346 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181887912 357388159 /nfs/dbraw/zinc/38/81/59/357388159.db2.gz KPFHOKPLAOQERZ-LLVKDONJSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccnc1 ZINC000361095186 357797503 /nfs/dbraw/zinc/79/75/03/357797503.db2.gz HAHABQIZROKBRH-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000072721934 358045435 /nfs/dbraw/zinc/04/54/35/358045435.db2.gz PBXHCSLERQUTGR-UHFFFAOYSA-N 1 1 263.297 1.678 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCCOCC2)s1 ZINC000192543679 358214344 /nfs/dbraw/zinc/21/43/44/358214344.db2.gz QDPJEWZEIIZXAB-UHFFFAOYSA-N 1 1 272.330 1.186 20 5 CDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCCOCC2)s1 ZINC000192543679 358214347 /nfs/dbraw/zinc/21/43/47/358214347.db2.gz QDPJEWZEIIZXAB-UHFFFAOYSA-N 1 1 272.330 1.186 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000290871248 358691540 /nfs/dbraw/zinc/69/15/40/358691540.db2.gz ZSJBOULGATTXCJ-GFCCVEGCSA-N 1 1 296.323 1.437 20 5 CDBDMO CSC[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135449598 358754764 /nfs/dbraw/zinc/75/47/64/358754764.db2.gz UWXMWEABQZUGNM-SNVBAGLBSA-N 1 1 270.358 1.619 20 5 CDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000290938255 358786112 /nfs/dbraw/zinc/78/61/12/358786112.db2.gz LMYNNGBUDFFZTM-SNVBAGLBSA-N 1 1 282.344 1.773 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104186247 358949724 /nfs/dbraw/zinc/94/97/24/358949724.db2.gz CKQLFRGIKFGFTH-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO CC[C@@H]1C[N@H+](CC)CCN1c1ncc([N+](=O)[O-])s1 ZINC000450833404 359012691 /nfs/dbraw/zinc/01/26/91/359012691.db2.gz SUSVFHISOGUMKW-SECBINFHSA-N 1 1 270.358 1.972 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])s1 ZINC000450833404 359012694 /nfs/dbraw/zinc/01/26/94/359012694.db2.gz SUSVFHISOGUMKW-SECBINFHSA-N 1 1 270.358 1.972 20 5 CDBDMO C[N@H+]1CCN(c2cccnc2[N+](=O)[O-])CC1(C)C ZINC000601186069 359325858 /nfs/dbraw/zinc/32/58/58/359325858.db2.gz DXZZNNCBKFPBAO-UHFFFAOYSA-N 1 1 250.302 1.520 20 5 CDBDMO CC1=CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135426 359905894 /nfs/dbraw/zinc/90/58/94/359905894.db2.gz HPFCTPONJAFJGB-AWEZNQCLSA-N 1 1 292.335 1.987 20 5 CDBDMO Cc1[nH+]ccn1CCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000348258018 360655313 /nfs/dbraw/zinc/65/53/13/360655313.db2.gz UYXSQBLAJDGGHH-UHFFFAOYSA-N 1 1 292.343 1.355 20 5 CDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000345853412 364043066 /nfs/dbraw/zinc/04/30/66/364043066.db2.gz OCEZZRUJEDZKBQ-QWRGUYRKSA-N 1 1 292.339 1.290 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC000345889773 364753054 /nfs/dbraw/zinc/75/30/54/364753054.db2.gz XTUKMFIMDQLRJM-VHSXEESVSA-N 1 1 280.328 1.478 20 5 CDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275440516 193038630 /nfs/dbraw/zinc/03/86/30/193038630.db2.gz KFANHTBQCIWHQE-KGLIPLIRSA-N 1 1 294.351 1.721 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270480369 366887672 /nfs/dbraw/zinc/88/76/72/366887672.db2.gz FNMWIRMLLLKHHL-CYBMUJFWSA-N 1 1 279.340 1.877 20 5 CDBDMO CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270917011 366944127 /nfs/dbraw/zinc/94/41/27/366944127.db2.gz OPDNTQNYJCBAGI-WCQYABFASA-N 1 1 280.324 1.676 20 5 CDBDMO Cn1nccc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000348413652 367284071 /nfs/dbraw/zinc/28/40/71/367284071.db2.gz WRQGMCWTYBKAND-UHFFFAOYSA-N 1 1 290.323 1.839 20 5 CDBDMO Cn1nccc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000348413652 367284078 /nfs/dbraw/zinc/28/40/78/367284078.db2.gz WRQGMCWTYBKAND-UHFFFAOYSA-N 1 1 290.323 1.839 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])s1 ZINC000420632957 244299023 /nfs/dbraw/zinc/29/90/23/244299023.db2.gz IKGUZKQQGAZJNM-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420593437 244270517 /nfs/dbraw/zinc/27/05/17/244270517.db2.gz BWEMLTARKDDWEV-UWVGGRQHSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000276110301 193215792 /nfs/dbraw/zinc/21/57/92/193215792.db2.gz XJSSOBNGBNIOCD-TVQRCGJNSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889418 203357223 /nfs/dbraw/zinc/35/72/23/203357223.db2.gz VEQMYJRFEGSETG-LSDHHAIUSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330889418 203357233 /nfs/dbraw/zinc/35/72/33/203357233.db2.gz VEQMYJRFEGSETG-LSDHHAIUSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448742 371979765 /nfs/dbraw/zinc/97/97/65/371979765.db2.gz QSWJBJMNKUFZGG-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520448742 371979767 /nfs/dbraw/zinc/97/97/67/371979767.db2.gz QSWJBJMNKUFZGG-SNVBAGLBSA-N 1 1 280.328 1.100 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC3(CC3)C2)c1 ZINC000187002236 373184732 /nfs/dbraw/zinc/18/47/32/373184732.db2.gz ATQNICIBCPAFGG-GFCCVEGCSA-N 1 1 280.328 1.028 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147812 374455238 /nfs/dbraw/zinc/45/52/38/374455238.db2.gz RJTSGSZZSPBVLY-GHMZBOCLSA-N 1 1 294.355 1.773 20 5 CDBDMO C[NH2+]CCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000424037180 246300744 /nfs/dbraw/zinc/30/07/44/246300744.db2.gz VPQJGCPOJNDKAF-UHFFFAOYSA-N 1 1 291.311 1.153 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351952732 374699634 /nfs/dbraw/zinc/69/96/34/374699634.db2.gz XCTLWHXGGOBVLV-MFKMUULPSA-N 1 1 266.297 1.286 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCCO3)C2)nc1 ZINC000331365248 374940612 /nfs/dbraw/zinc/94/06/12/374940612.db2.gz CYCUINWRZBJZFE-WCQYABFASA-N 1 1 292.339 1.655 20 5 CDBDMO C[N@@H+](CCCCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760055 374957627 /nfs/dbraw/zinc/95/76/27/374957627.db2.gz RISNFFVCYKATMP-CQSZACIVSA-N 1 1 282.340 1.723 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331584942 374975443 /nfs/dbraw/zinc/97/54/43/374975443.db2.gz FXSQTALJTYQNRK-UHFFFAOYSA-N 1 1 266.301 1.091 20 5 CDBDMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000125302540 374993266 /nfs/dbraw/zinc/99/32/66/374993266.db2.gz HAMHQYIUDNXMHV-SCRDCRAPSA-N 1 1 292.335 1.806 20 5 CDBDMO CCC(C)(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266769507 375422557 /nfs/dbraw/zinc/42/25/57/375422557.db2.gz WEAXNUUJJPDYPX-NSHDSACASA-N 1 1 270.333 1.273 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000230142503 375524598 /nfs/dbraw/zinc/52/45/98/375524598.db2.gz VOBYNTWXXZSOLR-UHFFFAOYSA-N 1 1 296.302 1.094 20 5 CDBDMO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000603435235 375566527 /nfs/dbraw/zinc/56/65/27/375566527.db2.gz WEEWHRHSCZILEM-STQMWFEESA-N 1 1 279.340 1.689 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000426459231 247029467 /nfs/dbraw/zinc/02/94/67/247029467.db2.gz JVHADCJECVPPSH-CMPLNLGQSA-N 1 1 250.302 1.666 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000354621749 375733943 /nfs/dbraw/zinc/73/39/43/375733943.db2.gz YTJHRKMULTZRHW-JOYOIKCWSA-N 1 1 293.323 1.513 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323363 375959809 /nfs/dbraw/zinc/95/98/09/375959809.db2.gz ANNKBEBKOBFNMO-LBPRGKRZSA-N 1 1 269.276 1.212 20 5 CDBDMO O=[N+]([O-])c1cnn(CCn2c[nH+]c3c2CCCC3)c1 ZINC000296560294 376385354 /nfs/dbraw/zinc/38/53/54/376385354.db2.gz CJRQRYKLHAFVAK-UHFFFAOYSA-N 1 1 261.285 1.567 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000357405704 377343352 /nfs/dbraw/zinc/34/33/52/377343352.db2.gz BQBTYOGGTUSEQK-VHSXEESVSA-N 1 1 280.328 1.146 20 5 CDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172301841 377431891 /nfs/dbraw/zinc/43/18/91/377431891.db2.gz ZPPIZQNJEFKCGV-HNNXBMFYSA-N 1 1 294.351 1.611 20 5 CDBDMO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345290859 377815992 /nfs/dbraw/zinc/81/59/92/377815992.db2.gz MHNSNNPACRSGAL-ONGXEEELSA-N 1 1 292.339 1.390 20 5 CDBDMO CC[C@]1(O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444674845 250164588 /nfs/dbraw/zinc/16/45/88/250164588.db2.gz LSMZCOSRPWXXAI-AWEZNQCLSA-N 1 1 290.323 1.818 20 5 CDBDMO CC[C@]1(O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444674845 250164590 /nfs/dbraw/zinc/16/45/90/250164590.db2.gz LSMZCOSRPWXXAI-AWEZNQCLSA-N 1 1 290.323 1.818 20 5 CDBDMO C[N@@H+](C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289455076 197356011 /nfs/dbraw/zinc/35/60/11/197356011.db2.gz FKAGXUOEKILPSO-CQSZACIVSA-N 1 1 291.351 1.412 20 5 CDBDMO CC(C)[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000446732360 250309735 /nfs/dbraw/zinc/30/97/35/250309735.db2.gz QUALMUQMKIFHKM-SNVBAGLBSA-N 1 1 252.318 1.806 20 5 CDBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000174651574 379547750 /nfs/dbraw/zinc/54/77/50/379547750.db2.gz AILULMQHTJHPHP-CYBMUJFWSA-N 1 1 282.344 1.274 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792578 379578466 /nfs/dbraw/zinc/57/84/66/379578466.db2.gz OIPHJRQRNDDVMZ-YPMHNXCESA-N 1 1 298.339 1.037 20 5 CDBDMO Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000289243108 197272043 /nfs/dbraw/zinc/27/20/43/197272043.db2.gz DTFUKAHUTALXCQ-CHWSQXEVSA-N 1 1 266.297 1.095 20 5 CDBDMO Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000289243108 197272045 /nfs/dbraw/zinc/27/20/45/197272045.db2.gz DTFUKAHUTALXCQ-CHWSQXEVSA-N 1 1 266.297 1.095 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875254 253110601 /nfs/dbraw/zinc/11/06/01/253110601.db2.gz XUKLIRBSWAZVBI-LJTDUEICSA-N 1 1 289.335 1.818 20 5 CDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000268156606 285164061 /nfs/dbraw/zinc/16/40/61/285164061.db2.gz SIZQYIOMMXORRZ-GFCCVEGCSA-N 1 1 277.324 1.506 20 5 CDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2CCC[NH2+]C2)n1 ZINC000423357955 285169067 /nfs/dbraw/zinc/16/90/67/285169067.db2.gz MRLYJRRUBZJRKM-AGIUHOORSA-N 1 1 293.371 1.617 20 5 CDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544582 197108145 /nfs/dbraw/zinc/10/81/45/197108145.db2.gz AEIRTBRVJVZOLO-HUBLWGQQSA-N 1 1 294.351 1.721 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000451192307 390604482 /nfs/dbraw/zinc/60/44/82/390604482.db2.gz SLDCTNVCLPCLLT-CMPLNLGQSA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000451192307 390604488 /nfs/dbraw/zinc/60/44/88/390604488.db2.gz SLDCTNVCLPCLLT-CMPLNLGQSA-N 1 1 284.287 1.378 20 5 CDBDMO Cc1cc(=O)n(CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000283856529 195932067 /nfs/dbraw/zinc/93/20/67/195932067.db2.gz HMVQAEXZWLGCNY-GFCCVEGCSA-N 1 1 279.340 1.939 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248356617 391169488 /nfs/dbraw/zinc/16/94/88/391169488.db2.gz ONLGXJJAWYSRDI-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(O)C1 ZINC000248356617 391169493 /nfs/dbraw/zinc/16/94/93/391169493.db2.gz ONLGXJJAWYSRDI-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000363881263 391273797 /nfs/dbraw/zinc/27/37/97/391273797.db2.gz BCCHBNWVBHCRRH-ZDUSSCGKSA-N 1 1 285.307 1.983 20 5 CDBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000363881263 391273804 /nfs/dbraw/zinc/27/38/04/391273804.db2.gz BCCHBNWVBHCRRH-ZDUSSCGKSA-N 1 1 285.307 1.983 20 5 CDBDMO C[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000189843446 130029073 /nfs/dbraw/zinc/02/90/73/130029073.db2.gz WBBWIQMRNHWJEC-GFCCVEGCSA-N 1 1 281.268 1.460 20 5 CDBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000189843446 130029075 /nfs/dbraw/zinc/02/90/75/130029075.db2.gz WBBWIQMRNHWJEC-GFCCVEGCSA-N 1 1 281.268 1.460 20 5 CDBDMO C[C@H]1CC[C@](CO)([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243039 391907367 /nfs/dbraw/zinc/90/73/67/391907367.db2.gz VOBKDLHOQTWZMU-GWCFXTLKSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243039 391907371 /nfs/dbraw/zinc/90/73/71/391907371.db2.gz VOBKDLHOQTWZMU-GWCFXTLKSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929254 131118791 /nfs/dbraw/zinc/11/87/91/131118791.db2.gz MDHFIZDETZNMER-GWCFXTLKSA-N 1 1 250.298 1.798 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191229 392946083 /nfs/dbraw/zinc/94/60/83/392946083.db2.gz XICDFLNHIYALKJ-HNNXBMFYSA-N 1 1 292.335 1.950 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000430209502 393092342 /nfs/dbraw/zinc/09/23/42/393092342.db2.gz RHFSZARYYGCOHM-AWEZNQCLSA-N 1 1 296.323 1.187 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000430209502 393092347 /nfs/dbraw/zinc/09/23/47/393092347.db2.gz RHFSZARYYGCOHM-AWEZNQCLSA-N 1 1 296.323 1.187 20 5 CDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)S1 ZINC000531143302 393056706 /nfs/dbraw/zinc/05/67/06/393056706.db2.gz QKWUNVYKFQKHHF-AOOOYVTPSA-N 1 1 270.358 1.617 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196758 135104259 /nfs/dbraw/zinc/10/42/59/135104259.db2.gz AIUIVIZJILYMRI-VXGBXAGGSA-N 1 1 279.340 1.486 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1 ZINC000423197384 397602293 /nfs/dbraw/zinc/60/22/93/397602293.db2.gz ZERNPAOSDGRJKV-WCQYABFASA-N 1 1 263.341 1.867 20 5 CDBDMO CN1CCC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000558740194 397721958 /nfs/dbraw/zinc/72/19/58/397721958.db2.gz BAGSVXHFNNQSHZ-AWEZNQCLSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000334041752 149305994 /nfs/dbraw/zinc/30/59/94/149305994.db2.gz BKGDHGIAKASCEM-QWRGUYRKSA-N 1 1 277.324 1.807 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774071 152298591 /nfs/dbraw/zinc/29/85/91/152298591.db2.gz AZYSCJGDPXEACI-LBPRGKRZSA-N 1 1 279.340 1.610 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286142 175159255 /nfs/dbraw/zinc/15/92/55/175159255.db2.gz SQKHEKARRYLMNO-JTQLQIEISA-N 1 1 283.353 1.870 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000045096511 175307703 /nfs/dbraw/zinc/30/77/03/175307703.db2.gz WIPPXIJHMQXXFI-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000045096511 175307704 /nfs/dbraw/zinc/30/77/04/175307704.db2.gz WIPPXIJHMQXXFI-CQSZACIVSA-N 1 1 289.335 1.838 20 5 CDBDMO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195506015 275577602 /nfs/dbraw/zinc/57/76/02/275577602.db2.gz QLHWKYXXLFCYIR-UHFFFAOYSA-N 1 1 270.358 1.829 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190838406 278394709 /nfs/dbraw/zinc/39/47/09/278394709.db2.gz ZQVQLFNEJNWSDS-WDEREUQCSA-N 1 1 268.313 1.158 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559799 288075741 /nfs/dbraw/zinc/07/57/41/288075741.db2.gz BIZCKMONUAWHGO-KOLCDFICSA-N 1 1 265.317 1.161 20 5 CDBDMO CC(C)[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000195128637 280071142 /nfs/dbraw/zinc/07/11/42/280071142.db2.gz MARLQIDOAMUELO-CYBMUJFWSA-N 1 1 298.339 1.037 20 5 CDBDMO C[C@H](c1nc(C[NH3+])no1)c1ccc([N+](=O)[O-])cc1F ZINC000581309745 324708936 /nfs/dbraw/zinc/70/89/36/324708936.db2.gz NEJMXFMFRBGKOS-LURJTMIESA-N 1 1 266.232 1.727 20 5 CDBDMO COc1cc(NCC(F)(F)C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000227861143 522739548 /nfs/dbraw/zinc/73/95/48/522739548.db2.gz JXNGHGVUVYNELU-UHFFFAOYSA-N 1 1 279.218 1.748 20 5 CDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157322177 527427778 /nfs/dbraw/zinc/42/77/78/527427778.db2.gz FSZOJMZPJGSFHT-VIFPVBQESA-N 1 1 290.323 1.144 20 5 CDBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000304294739 528932454 /nfs/dbraw/zinc/93/24/54/528932454.db2.gz FDOISTBSXJHNHZ-CYBMUJFWSA-N 1 1 282.344 1.415 20 5 CDBDMO COCC[N@@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000726967856 574529894 /nfs/dbraw/zinc/52/98/94/574529894.db2.gz FLDPGQVAHNUXTA-UHFFFAOYSA-N 1 1 293.327 1.233 20 5 CDBDMO COc1ccc(CN2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000761066834 576540550 /nfs/dbraw/zinc/54/05/50/576540550.db2.gz CQVDGUZUYPTASL-LLVKDONJSA-N 1 1 279.340 1.739 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104821 576549022 /nfs/dbraw/zinc/54/90/22/576549022.db2.gz IFVVLRBACUTQTN-OASPWFOLSA-N 1 1 266.297 1.083 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)s1 ZINC000750180286 576980803 /nfs/dbraw/zinc/98/08/03/576980803.db2.gz MMOQOJHMSORXPK-UHFFFAOYSA-N 1 1 285.369 1.551 20 5 CDBDMO C[C@@H]1COC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000932487363 617314367 /nfs/dbraw/zinc/31/43/67/617314367.db2.gz AFMKQSPUQXLOOO-JMCQJSRRSA-N 1 1 272.251 1.998 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000892044767 617440215 /nfs/dbraw/zinc/44/02/15/617440215.db2.gz OTYYASGRPVVJFV-UHFFFAOYSA-N 1 1 284.312 1.512 20 5 CDBDMO CC[N@@H+](CCCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892110835 617487285 /nfs/dbraw/zinc/48/72/85/617487285.db2.gz GYUQZRGYMMBBCQ-UHFFFAOYSA-N 1 1 284.312 1.513 20 5 CDBDMO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1C1CC1 ZINC000892875636 617852505 /nfs/dbraw/zinc/85/25/05/617852505.db2.gz HHEPYFUTWGSHJL-RKDXNWHRSA-N 1 1 265.317 1.365 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801524132 621637261 /nfs/dbraw/zinc/63/72/61/621637261.db2.gz MBNHJCZNJYCIJE-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO COc1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000899859451 622486830 /nfs/dbraw/zinc/48/68/30/622486830.db2.gz JQBJJSPSRWRBSN-LBPRGKRZSA-N 1 1 297.355 1.173 20 5 CDBDMO NC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406561 624731912 /nfs/dbraw/zinc/73/19/12/624731912.db2.gz NYXLZUGNLVNGSL-MNOVXSKESA-N 1 1 279.344 1.356 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000902614353 625028310 /nfs/dbraw/zinc/02/83/10/625028310.db2.gz WTJPOBIGHZDKDZ-UHFFFAOYSA-N 1 1 252.274 1.155 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1ccc(F)cc1[N+](=O)[O-] ZINC000904436149 626293249 /nfs/dbraw/zinc/29/32/49/626293249.db2.gz XXRYAEPMNUCJMJ-UHFFFAOYSA-N 1 1 270.264 1.294 20 5 CDBDMO COc1c(C)c[nH+]c(Cn2ccnc2[N+](=O)[O-])c1C ZINC000918351943 632359700 /nfs/dbraw/zinc/35/97/00/632359700.db2.gz PZULYHWXPOWSMV-UHFFFAOYSA-N 1 1 262.269 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCOC2)c(Cl)c1 ZINC000184201551 1182262181 /nfs/dbraw/zinc/26/21/81/1182262181.db2.gz TWPIIJOQMYWBAZ-GFCCVEGCSA-N 1 1 286.715 1.489 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164643164 719189378 /nfs/dbraw/zinc/18/93/78/719189378.db2.gz ZWACLEAJJFEAMI-RKDXNWHRSA-N 1 1 265.317 1.222 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164643164 719189371 /nfs/dbraw/zinc/18/93/71/719189371.db2.gz ZWACLEAJJFEAMI-RKDXNWHRSA-N 1 1 265.317 1.222 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000876994823 1165955910 /nfs/dbraw/zinc/95/59/10/1165955910.db2.gz PWQVEDBHSLDCMU-ISTVAULSSA-N 1 1 275.308 1.247 20 5 CDBDMO CC[N@H+](CC(N)=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877468284 1166043100 /nfs/dbraw/zinc/04/31/00/1166043100.db2.gz DNJAISUOILPGSH-UHFFFAOYSA-N 1 1 265.313 1.519 20 5 CDBDMO CC[N@@H+](CC(N)=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877468284 1166043109 /nfs/dbraw/zinc/04/31/09/1166043109.db2.gz DNJAISUOILPGSH-UHFFFAOYSA-N 1 1 265.313 1.519 20 5 CDBDMO CCC[N@H+](CC(N)=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877548327 1166056833 /nfs/dbraw/zinc/05/68/33/1166056833.db2.gz WAZRCOBWQIJNJX-UHFFFAOYSA-N 1 1 279.340 1.909 20 5 CDBDMO CCC[N@@H+](CC(N)=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877548327 1166056834 /nfs/dbraw/zinc/05/68/34/1166056834.db2.gz WAZRCOBWQIJNJX-UHFFFAOYSA-N 1 1 279.340 1.909 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCCC3)CC2)n1 ZINC000785861748 796930567 /nfs/dbraw/zinc/93/05/67/796930567.db2.gz IJCYHMLWOPOENU-UHFFFAOYSA-N 1 1 293.371 1.524 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247007452 797239524 /nfs/dbraw/zinc/23/95/24/797239524.db2.gz LAFFVKWNMGTAKJ-DGCLKSJQSA-N 1 1 279.344 1.165 20 5 CDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818972210 797386462 /nfs/dbraw/zinc/38/64/62/797386462.db2.gz UXEVAYABZYVNOO-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000818972210 797386472 /nfs/dbraw/zinc/38/64/72/797386472.db2.gz UXEVAYABZYVNOO-JTQLQIEISA-N 1 1 292.339 1.343 20 5 CDBDMO COCC1(C)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000788437398 797589633 /nfs/dbraw/zinc/58/96/33/797589633.db2.gz RJQLBXKKNVVRCY-ZDUSSCGKSA-N 1 1 280.324 1.597 20 5 CDBDMO C[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000703904663 797814031 /nfs/dbraw/zinc/81/40/31/797814031.db2.gz WVEXJOHPOWJKGA-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO C[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000703904663 797814034 /nfs/dbraw/zinc/81/40/34/797814034.db2.gz WVEXJOHPOWJKGA-GFCCVEGCSA-N 1 1 299.758 1.357 20 5 CDBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000225427668 797833487 /nfs/dbraw/zinc/83/34/87/797833487.db2.gz CBAKLCPYNLXNDV-UHFFFAOYSA-N 1 1 254.271 1.816 20 5 CDBDMO COC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000886852603 797998980 /nfs/dbraw/zinc/99/89/80/797998980.db2.gz PXVVKKROBPSAHP-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO COC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000886852603 797999003 /nfs/dbraw/zinc/99/90/03/797999003.db2.gz PXVVKKROBPSAHP-NSHDSACASA-N 1 1 279.296 1.525 20 5 CDBDMO CC(C)n1cc(C2=CCC[N@H+](CC[N+](=O)[O-])CC2)nn1 ZINC000930632662 1166765385 /nfs/dbraw/zinc/76/53/85/1166765385.db2.gz BOHVLEPVMWVWTR-UHFFFAOYSA-N 1 1 279.344 1.615 20 5 CDBDMO CC(C)n1cc(C2=CCC[N@@H+](CC[N+](=O)[O-])CC2)nn1 ZINC000930632662 1166765389 /nfs/dbraw/zinc/76/53/89/1166765389.db2.gz BOHVLEPVMWVWTR-UHFFFAOYSA-N 1 1 279.344 1.615 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001173220405 912302422 /nfs/dbraw/zinc/30/24/22/912302422.db2.gz ADSJXWGYIHOOQI-ZLKJLUDKSA-N 1 1 282.315 1.931 20 5 CDBDMO CCOc1cnc(N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001167270200 895008515 /nfs/dbraw/zinc/00/85/15/895008515.db2.gz NHNBMGASNBEMKX-VIFPVBQESA-N 1 1 266.301 1.505 20 5 CDBDMO COc1cc(-n2cnc(C[NH3+])cc2=N)cc([N+](=O)[O-])c1C ZINC001167359670 895431452 /nfs/dbraw/zinc/43/14/52/895431452.db2.gz UPYGFZZLFUMMNX-UHFFFAOYSA-N 1 1 289.295 1.036 20 5 CDBDMO COCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103458043 899157873 /nfs/dbraw/zinc/15/78/73/899157873.db2.gz LLKNFBBYPVEBFZ-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO COCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103458043 899157878 /nfs/dbraw/zinc/15/78/78/899157878.db2.gz LLKNFBBYPVEBFZ-UHFFFAOYSA-N 1 1 290.323 1.994 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000123831428 900048916 /nfs/dbraw/zinc/04/89/16/900048916.db2.gz XJQWVPRXSXYQQD-SNVBAGLBSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000123831428 900048923 /nfs/dbraw/zinc/04/89/23/900048923.db2.gz XJQWVPRXSXYQQD-SNVBAGLBSA-N 1 1 266.301 1.250 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000313029788 900326799 /nfs/dbraw/zinc/32/67/99/900326799.db2.gz DSWHEDIEZYZBEZ-LLVKDONJSA-N 1 1 286.303 1.814 20 5 CDBDMO C[C@@H](C[NH+]1CCOCC1)OCc1ccc([N+](=O)[O-])nc1 ZINC001224109297 909164094 /nfs/dbraw/zinc/16/40/94/909164094.db2.gz QQGPFKMHBXQGHY-NSHDSACASA-N 1 1 281.312 1.227 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3CC3)n2)o1 ZINC000843238289 921478783 /nfs/dbraw/zinc/47/87/83/921478783.db2.gz NRPZKWWULIDIST-UHFFFAOYSA-N 1 1 250.214 1.490 20 5 CDBDMO [NH3+]Cc1nnn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172899847 912039293 /nfs/dbraw/zinc/03/92/93/912039293.db2.gz DQWKMMJOYTVKRN-NSHDSACASA-N 1 1 288.311 1.160 20 5 CDBDMO CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178449775 915418733 /nfs/dbraw/zinc/41/87/33/915418733.db2.gz GECQSXWLNBIURU-VXGBXAGGSA-N 1 1 271.361 1.328 20 5 CDBDMO CC(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001000345807 936528266 /nfs/dbraw/zinc/52/82/66/936528266.db2.gz OFRVHUHJLRAVKB-UHFFFAOYSA-N 1 1 289.335 1.863 20 5 CDBDMO CC(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001000345807 936528268 /nfs/dbraw/zinc/52/82/68/936528268.db2.gz OFRVHUHJLRAVKB-UHFFFAOYSA-N 1 1 289.335 1.863 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001168750506 922106324 /nfs/dbraw/zinc/10/63/24/922106324.db2.gz WEOGAXQKCAUZOQ-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572764 936915820 /nfs/dbraw/zinc/91/58/20/936915820.db2.gz VNJZFUHEBHRHOZ-SYLRKERUSA-N 1 1 283.372 1.134 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000839728612 936921734 /nfs/dbraw/zinc/92/17/34/936921734.db2.gz QKTGCFCKDUVEQL-ASEORRQLSA-N 1 1 291.351 1.459 20 5 CDBDMO CO[C@@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C12CCC2 ZINC000840138049 936940624 /nfs/dbraw/zinc/94/06/24/936940624.db2.gz CJNKJJOMCGPJPA-CHWSQXEVSA-N 1 1 294.355 1.947 20 5 CDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C12CCC2 ZINC000840138049 936940627 /nfs/dbraw/zinc/94/06/27/936940627.db2.gz CJNKJJOMCGPJPA-CHWSQXEVSA-N 1 1 294.355 1.947 20 5 CDBDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006742 927610904 /nfs/dbraw/zinc/61/09/04/927610904.db2.gz JFWTZBWIPKLVRN-WOPDTQHZSA-N 1 1 254.330 1.733 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)C1 ZINC001169011514 927616753 /nfs/dbraw/zinc/61/67/53/927616753.db2.gz KMRUYXSOIKUPIW-UPJWGTAASA-N 1 1 254.330 1.544 20 5 CDBDMO Cc1nc(CC[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001169011262 927617368 /nfs/dbraw/zinc/61/73/68/927617368.db2.gz IZNGPZCDIKYGJJ-WDEREUQCSA-N 1 1 268.317 1.298 20 5 CDBDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@H]1O ZINC001169010578 927617716 /nfs/dbraw/zinc/61/77/16/927617716.db2.gz DUTALOKRFXLJOE-FDYHWXHSSA-N 1 1 256.346 1.525 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C1 ZINC001169014009 927620226 /nfs/dbraw/zinc/62/02/26/927620226.db2.gz XSMNURVRLUWRBK-RNJOBUHISA-N 1 1 254.330 1.400 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC3(C2)OCCO3)C1 ZINC001169038918 927649802 /nfs/dbraw/zinc/64/98/02/927649802.db2.gz LJTQYMRQHAWDJZ-NEPJUHHUSA-N 1 1 270.329 1.271 20 5 CDBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051962 927668580 /nfs/dbraw/zinc/66/85/80/927668580.db2.gz DRFBSQOGDMWBCP-MJBXVCDLSA-N 1 1 297.399 1.668 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC12CC2 ZINC001169057835 927675730 /nfs/dbraw/zinc/67/57/30/927675730.db2.gz XYCLAFQJPMHUCN-UTUOFQBUSA-N 1 1 282.340 1.317 20 5 CDBDMO CCN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1C ZINC001169057489 927676048 /nfs/dbraw/zinc/67/60/48/927676048.db2.gz VZTRSEFLKMPLAR-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602175 927813377 /nfs/dbraw/zinc/81/33/77/927813377.db2.gz TZVIRABEUCJTRC-WQAKAFBOSA-N 1 1 266.297 1.083 20 5 CDBDMO COCC[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000111347632 928020928 /nfs/dbraw/zinc/02/09/28/928020928.db2.gz HXNFCMMCTHGVLA-UHFFFAOYSA-N 1 1 278.268 1.381 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799887 928097590 /nfs/dbraw/zinc/09/75/90/928097590.db2.gz OWTUFKNTHBYPGE-WDEREUQCSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2ccc(N)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799887 928097600 /nfs/dbraw/zinc/09/76/00/928097600.db2.gz OWTUFKNTHBYPGE-WDEREUQCSA-N 1 1 294.355 1.698 20 5 CDBDMO C[N@H+]1CCC[C@H](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001156390097 928479207 /nfs/dbraw/zinc/47/92/07/928479207.db2.gz VKBBBBHYEUOULB-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001157263354 929401482 /nfs/dbraw/zinc/40/14/82/929401482.db2.gz AOGXRSFPPHCAPB-CABZTGNLSA-N 1 1 277.328 1.102 20 5 CDBDMO CC[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881734120 929892961 /nfs/dbraw/zinc/89/29/61/929892961.db2.gz HLYCXXDZMOUZSJ-UHFFFAOYSA-N 1 1 254.265 1.271 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001170898371 930696700 /nfs/dbraw/zinc/69/67/00/930696700.db2.gz UDTAIEOAEVZRDC-SECBINFHSA-N 1 1 259.697 1.079 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008305 930746759 /nfs/dbraw/zinc/74/67/59/930746759.db2.gz WIRSYPYQWGCLSK-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819008305 930746767 /nfs/dbraw/zinc/74/67/67/930746767.db2.gz WIRSYPYQWGCLSK-IUODEOHRSA-N 1 1 295.383 1.948 20 5 CDBDMO CCC1(O)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886020626 930789741 /nfs/dbraw/zinc/78/97/41/930789741.db2.gz DTQABSLOYDYANM-UHFFFAOYSA-N 1 1 265.313 1.727 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100625 930806897 /nfs/dbraw/zinc/80/68/97/930806897.db2.gz SWWCAARCEKWXJZ-GHMZBOCLSA-N 1 1 264.329 1.514 20 5 CDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886147003 930815690 /nfs/dbraw/zinc/81/56/90/930815690.db2.gz HLENJUXFHFEODW-RISCZKNCSA-N 1 1 279.340 1.973 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])[C@H]1CO ZINC000886162645 930816790 /nfs/dbraw/zinc/81/67/90/930816790.db2.gz VBZOBRQBJTWJME-ONGXEEELSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@H]1NCCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925627558 932917391 /nfs/dbraw/zinc/91/73/91/932917391.db2.gz BQYDZJSSYRWVJA-RISCZKNCSA-N 1 1 263.341 1.867 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000930609591 933412535 /nfs/dbraw/zinc/41/25/35/933412535.db2.gz JBBQYIVHAYTRGN-LBPRGKRZSA-N 1 1 250.298 1.807 20 5 CDBDMO CC[N@H+](CCC(=O)NC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000933866213 933865866 /nfs/dbraw/zinc/86/58/66/933865866.db2.gz MOXOWWHXONWGNQ-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000933866213 933865876 /nfs/dbraw/zinc/86/58/76/933865876.db2.gz MOXOWWHXONWGNQ-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO Cc1nn(C[N@@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000779863164 934754827 /nfs/dbraw/zinc/75/48/27/934754827.db2.gz MRACCDNKDXXMPK-UHFFFAOYSA-N 1 1 280.328 1.560 20 5 CDBDMO Cc1nn(C[N@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000779863164 934754830 /nfs/dbraw/zinc/75/48/30/934754830.db2.gz MRACCDNKDXXMPK-UHFFFAOYSA-N 1 1 280.328 1.560 20 5 CDBDMO CC[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316662 935022644 /nfs/dbraw/zinc/02/26/44/935022644.db2.gz NUNIAIPEVZWOBU-SWLSCSKDSA-N 1 1 293.367 1.654 20 5 CDBDMO COc1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC001157044106 938448625 /nfs/dbraw/zinc/44/86/25/938448625.db2.gz NQLTYMAYJMVJED-UHFFFAOYSA-N 1 1 298.368 1.459 20 5 CDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001163771373 939325921 /nfs/dbraw/zinc/32/59/21/939325921.db2.gz QYZJLCQZEVTNIP-UHFFFAOYSA-N 1 1 280.328 1.530 20 5 CDBDMO [NH3+][C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC001164316336 939452955 /nfs/dbraw/zinc/45/29/55/939452955.db2.gz BWJXVQBOSXTSHS-QMMMGPOBSA-N 1 1 292.673 1.816 20 5 CDBDMO CC(C)(C)c1c[nH]c(=NOCC[NH3+])c([N+](=O)[O-])c1 ZINC001164415419 939472187 /nfs/dbraw/zinc/47/21/87/939472187.db2.gz VGAGPLLCUAFWGV-UHFFFAOYSA-N 1 1 254.290 1.590 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ncc1N ZINC001210443763 940691849 /nfs/dbraw/zinc/69/18/49/940691849.db2.gz DNLQAFRBJLLZEK-UHFFFAOYSA-N 1 1 261.241 1.719 20 5 CDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664679 941896437 /nfs/dbraw/zinc/89/64/37/941896437.db2.gz RFJMHXGPAWCTCS-IWIIMEHWSA-N 1 1 293.323 1.805 20 5 CDBDMO O=c1cc[nH]c(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001225664727 941897082 /nfs/dbraw/zinc/89/70/82/941897082.db2.gz SAWODVXEHVPTBV-MRVPVSSYSA-N 1 1 276.252 1.286 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225667687 941897704 /nfs/dbraw/zinc/89/77/04/941897704.db2.gz WTKRYFNCBRUGJO-JTQLQIEISA-N 1 1 281.312 1.947 20 5 CDBDMO Cc1ccc(O[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC001227222970 942152267 /nfs/dbraw/zinc/15/22/67/942152267.db2.gz YOZZDTFAIGWQDL-SNVBAGLBSA-N 1 1 251.286 1.771 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](F)[C@@H](O)CC1)C2 ZINC001254595471 947546542 /nfs/dbraw/zinc/54/65/42/947546542.db2.gz XONCJCBSCRLYHD-KFWWJZLASA-N 1 1 294.326 1.857 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](O)CC1)C2 ZINC001254600844 947549702 /nfs/dbraw/zinc/54/97/02/947549702.db2.gz VVPHNJCQSJAYKT-CABCVRRESA-N 1 1 276.336 1.909 20 5 CDBDMO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315894 948102601 /nfs/dbraw/zinc/10/26/01/948102601.db2.gz XGXNQTDOJNGGKX-ZYHUDNBSSA-N 1 1 281.356 1.861 20 5 CDBDMO CC[C@@H](N)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001246315894 948102605 /nfs/dbraw/zinc/10/26/05/948102605.db2.gz XGXNQTDOJNGGKX-ZYHUDNBSSA-N 1 1 281.356 1.861 20 5 CDBDMO O=C1NCC[C@H]1CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326718091 954509762 /nfs/dbraw/zinc/50/97/62/954509762.db2.gz ZDHMOUBBWJSKHA-JTQLQIEISA-N 1 1 275.308 1.437 20 5 CDBDMO O=C1NCC[C@H]1CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326718091 954509771 /nfs/dbraw/zinc/50/97/71/954509771.db2.gz ZDHMOUBBWJSKHA-JTQLQIEISA-N 1 1 275.308 1.437 20 5 CDBDMO Cc1cc(-c2nnc(C[NH+](C)C)o2)c(N)c([N+](=O)[O-])c1 ZINC001322339086 960188020 /nfs/dbraw/zinc/18/80/20/960188020.db2.gz HQEQAYLJLKOCHU-UHFFFAOYSA-N 1 1 277.284 1.597 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001346025875 964889557 /nfs/dbraw/zinc/88/95/57/964889557.db2.gz CHRFFWRPFXVDGK-RYUDHWBXSA-N 1 1 276.340 1.759 20 5 CDBDMO Cc1cccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001354267244 968586876 /nfs/dbraw/zinc/58/68/76/968586876.db2.gz XZPVGTNAKCRKOO-TZMCWYRMSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1[N+](=O)[O-] ZINC001354267244 968586886 /nfs/dbraw/zinc/58/68/86/968586886.db2.gz XZPVGTNAKCRKOO-TZMCWYRMSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1[N+](=O)[O-] ZINC001354267244 968586891 /nfs/dbraw/zinc/58/68/91/968586891.db2.gz XZPVGTNAKCRKOO-TZMCWYRMSA-N 1 1 292.383 1.949 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001355283308 969110029 /nfs/dbraw/zinc/11/00/29/969110029.db2.gz INVFYQFIAFMBBP-ZDUSSCGKSA-N 1 1 279.344 1.250 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001515428106 969894010 /nfs/dbraw/zinc/89/40/10/969894010.db2.gz UALQYIWLMGJONC-UHFFFAOYSA-N 1 1 253.306 1.324 20 5 CDBDMO CC[N@@H+](C[C@H](C)OC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812909290 1163757728 /nfs/dbraw/zinc/75/77/28/1163757728.db2.gz VZYDRVPTBYYYOF-SMDDNHRTSA-N 1 1 282.340 1.985 20 5 CDBDMO COc1ccc(C[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000231895836 341995161 /nfs/dbraw/zinc/99/51/61/341995161.db2.gz IXGZESXHGVUGEQ-UHFFFAOYSA-N 1 1 263.253 1.881 20 5 CDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000590378292 342541010 /nfs/dbraw/zinc/54/10/10/342541010.db2.gz HYZJYGNQKNIKRT-UHFFFAOYSA-N 1 1 278.293 1.578 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693295 342583312 /nfs/dbraw/zinc/58/33/12/342583312.db2.gz QUSKTRYFHJSZSA-JQWIXIFHSA-N 1 1 264.329 1.766 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567010 365618284 /nfs/dbraw/zinc/61/82/84/365618284.db2.gz BAPGQVPUUVQNPN-STQMWFEESA-N 1 1 293.367 1.998 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000590758662 342588407 /nfs/dbraw/zinc/58/84/07/342588407.db2.gz CXEWSJPZCHWWLG-GFCCVEGCSA-N 1 1 282.369 1.619 20 5 CDBDMO NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000048575137 342094581 /nfs/dbraw/zinc/09/45/81/342094581.db2.gz FEPORRKHVQMGEG-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000048575137 342094582 /nfs/dbraw/zinc/09/45/82/342094582.db2.gz FEPORRKHVQMGEG-UHFFFAOYSA-N 1 1 277.324 1.825 20 5 CDBDMO Cc1nn(C)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000322404761 342185358 /nfs/dbraw/zinc/18/53/58/342185358.db2.gz WOBUHBUJGVVHNW-FGWVZKOKSA-N 1 1 279.344 1.674 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289957670 361918027 /nfs/dbraw/zinc/91/80/27/361918027.db2.gz WKVGRRQMEVBOBL-SECBINFHSA-N 1 1 274.271 1.768 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290032665 361976211 /nfs/dbraw/zinc/97/62/11/361976211.db2.gz QGKGJUCIRAKKDY-CQSZACIVSA-N 1 1 293.367 1.482 20 5 CDBDMO Cc1[nH+]c2c(n1Cc1c([N+](=O)[O-])ncn1C)CCCC2 ZINC000594897685 342970573 /nfs/dbraw/zinc/97/05/73/342970573.db2.gz QOPSVVUJWNDLCA-UHFFFAOYSA-N 1 1 275.312 1.760 20 5 CDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C/CO)c1 ZINC000594974967 342992656 /nfs/dbraw/zinc/99/26/56/342992656.db2.gz PBOGSAHDIAAHTO-OWOJBTEDSA-N 1 1 288.250 1.834 20 5 CDBDMO Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074748741 342303891 /nfs/dbraw/zinc/30/38/91/342303891.db2.gz QELYCJNYXWGCFD-LBPRGKRZSA-N 1 1 293.371 1.346 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000595041513 342998626 /nfs/dbraw/zinc/99/86/26/342998626.db2.gz AOIKSKNUDCRTLN-MRCXROJRSA-N 1 1 296.323 1.668 20 5 CDBDMO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000404728485 349776830 /nfs/dbraw/zinc/77/68/30/349776830.db2.gz AHEWYOAHRNOSBS-OLZOCXBDSA-N 1 1 263.341 1.853 20 5 CDBDMO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000404728485 349776833 /nfs/dbraw/zinc/77/68/33/349776833.db2.gz AHEWYOAHRNOSBS-OLZOCXBDSA-N 1 1 263.341 1.853 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000595450182 343059027 /nfs/dbraw/zinc/05/90/27/343059027.db2.gz SDPCRDGETGSEHH-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000595450182 343059029 /nfs/dbraw/zinc/05/90/29/343059029.db2.gz SDPCRDGETGSEHH-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076708566 342324548 /nfs/dbraw/zinc/32/45/48/342324548.db2.gz RDWHHCNTZYWCMJ-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076708566 342324549 /nfs/dbraw/zinc/32/45/49/342324549.db2.gz RDWHHCNTZYWCMJ-ZDUSSCGKSA-N 1 1 277.324 1.695 20 5 CDBDMO Cc1noc(C[N@@H+](C)[C@@H](C)C(C)(C)O)c1[N+](=O)[O-] ZINC000595508780 343080577 /nfs/dbraw/zinc/08/05/77/343080577.db2.gz BPDIXSZPHHDSNJ-QMMMGPOBSA-N 1 1 257.290 1.482 20 5 CDBDMO Cc1noc(C[N@H+](C)[C@@H](C)C(C)(C)O)c1[N+](=O)[O-] ZINC000595508780 343080579 /nfs/dbraw/zinc/08/05/79/343080579.db2.gz BPDIXSZPHHDSNJ-QMMMGPOBSA-N 1 1 257.290 1.482 20 5 CDBDMO CC[N@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000595536713 343092112 /nfs/dbraw/zinc/09/21/12/343092112.db2.gz TYYFTBJMPNWPAA-GFCCVEGCSA-N 1 1 281.360 1.207 20 5 CDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077302430 342327554 /nfs/dbraw/zinc/32/75/54/342327554.db2.gz RAWVGYGKEOCKSD-UHFFFAOYSA-N 1 1 295.314 1.902 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213327 342376713 /nfs/dbraw/zinc/37/67/13/342376713.db2.gz UFNWQQWGRHEFFP-VIFPVBQESA-N 1 1 279.296 1.939 20 5 CDBDMO CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518864 343340593 /nfs/dbraw/zinc/34/05/93/343340593.db2.gz XXKJJNAJPUPPHO-LLVKDONJSA-N 1 1 292.339 1.590 20 5 CDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000588977630 342446681 /nfs/dbraw/zinc/44/66/81/342446681.db2.gz QZVFEIAJTHNUDD-SECBINFHSA-N 1 1 281.287 1.431 20 5 CDBDMO C[NH+]1CC2(C1)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000597572269 343574620 /nfs/dbraw/zinc/57/46/20/343574620.db2.gz NHIFNSHDIRUWRM-UHFFFAOYSA-N 1 1 291.307 1.078 20 5 CDBDMO CCn1nncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599059715 343947108 /nfs/dbraw/zinc/94/71/08/343947108.db2.gz CGLFRUFPSDNPCE-ZDUSSCGKSA-N 1 1 287.323 1.983 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672227 344217415 /nfs/dbraw/zinc/21/74/15/344217415.db2.gz VMZVLGGTPOWWQY-JTQLQIEISA-N 1 1 295.314 1.948 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601971591 344300220 /nfs/dbraw/zinc/30/02/20/344300220.db2.gz DZTTZAYMYUZKLQ-TXEJJXNPSA-N 1 1 278.308 1.552 20 5 CDBDMO COC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602596990 344502984 /nfs/dbraw/zinc/50/29/84/344502984.db2.gz PHDGUEWPUODFRI-SNVBAGLBSA-N 1 1 295.295 1.487 20 5 CDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780776 344596551 /nfs/dbraw/zinc/59/65/51/344596551.db2.gz RTIOFZZNQLDDEM-OLZOCXBDSA-N 1 1 296.371 1.725 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000602795583 344586603 /nfs/dbraw/zinc/58/66/03/344586603.db2.gz NMMDFAIHNRZOBX-VXGBXAGGSA-N 1 1 282.344 1.193 20 5 CDBDMO CCC[C@]1(CO)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827249 344612527 /nfs/dbraw/zinc/61/25/27/344612527.db2.gz BXXARIXOTUQKSG-AWEZNQCLSA-N 1 1 296.371 1.584 20 5 CDBDMO CN(C(=O)C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000265584581 362456900 /nfs/dbraw/zinc/45/69/00/362456900.db2.gz YPKHJBRSQUOFGD-ZDUSSCGKSA-N 1 1 293.323 1.014 20 5 CDBDMO CN(C(=O)C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000265584581 362456905 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177005245 390377875 /nfs/dbraw/zinc/37/78/75/390377875.db2.gz CROSVNDVEZNXCR-JTQLQIEISA-N 1 1 281.312 1.744 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000158680603 390815987 /nfs/dbraw/zinc/81/59/87/390815987.db2.gz UGCLHGDHCKRMPS-JSGCOSHPSA-N 1 1 293.371 1.207 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559805 390970266 /nfs/dbraw/zinc/97/02/66/390970266.db2.gz BIZCKMONUAWHGO-ONGXEEELSA-N 1 1 265.317 1.161 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460251 391038658 /nfs/dbraw/zinc/03/86/58/391038658.db2.gz DXUXMVRYSZGNMI-MWLCHTKSSA-N 1 1 292.339 1.146 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413232462 391182564 /nfs/dbraw/zinc/18/25/64/391182564.db2.gz OTSDMDGNSXHUGW-UHFFFAOYSA-N 1 1 268.292 1.659 20 5 CDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000456345167 391275204 /nfs/dbraw/zinc/27/52/04/391275204.db2.gz HTIZGFNERUSWQK-LLVKDONJSA-N 1 1 294.355 1.490 20 5 CDBDMO COCC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000266149740 391646774 /nfs/dbraw/zinc/64/67/74/391646774.db2.gz KBUUXIBESFADLZ-UHFFFAOYSA-N 1 1 283.303 1.502 20 5 CDBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304346218 130088457 /nfs/dbraw/zinc/08/84/57/130088457.db2.gz QJDXIJPGNHCMEH-WCQYABFASA-N 1 1 282.344 1.274 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911302 393031014 /nfs/dbraw/zinc/03/10/14/393031014.db2.gz AKVFZNDZTDPTOE-CYBMUJFWSA-N 1 1 250.298 1.942 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000430195094 393091341 /nfs/dbraw/zinc/09/13/41/393091341.db2.gz MYGFTZUEEIVOST-GWCFXTLKSA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1c(NC(=O)[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000299487721 393197181 /nfs/dbraw/zinc/19/71/81/393197181.db2.gz ISLPCDPWHJKNNJ-GFCCVEGCSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000299487721 393197186 /nfs/dbraw/zinc/19/71/86/393197186.db2.gz ISLPCDPWHJKNNJ-GFCCVEGCSA-N 1 1 263.297 1.936 20 5 CDBDMO Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275369282 135105280 /nfs/dbraw/zinc/10/52/80/135105280.db2.gz NAVFAGSEMKUHAH-QWRGUYRKSA-N 1 1 294.355 1.190 20 5 CDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186880405 140071686 /nfs/dbraw/zinc/07/16/86/140071686.db2.gz MJUXZVBRHIDRKI-FZMZJTMJSA-N 1 1 280.324 1.676 20 5 CDBDMO C[N@H+]1CC[C@@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658040 140082594 /nfs/dbraw/zinc/08/25/94/140082594.db2.gz BQUPOHXZELWNEA-SECBINFHSA-N 1 1 289.291 1.143 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252672500 140321770 /nfs/dbraw/zinc/32/17/70/140321770.db2.gz ARGUKYFTKHOYME-QWRGUYRKSA-N 1 1 279.344 1.675 20 5 CDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261632854 140366807 /nfs/dbraw/zinc/36/68/07/140366807.db2.gz BJIMMQXFZAOECP-OAHLLOKOSA-N 1 1 275.352 1.823 20 5 CDBDMO [NH3+]CCCOC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000094070181 147076323 /nfs/dbraw/zinc/07/63/23/147076323.db2.gz DZZQTBMTDMQQQF-UHFFFAOYSA-N 1 1 293.367 1.925 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176285685 148035552 /nfs/dbraw/zinc/03/55/52/148035552.db2.gz MXAOEYGMWZZOQS-LBPRGKRZSA-N 1 1 281.360 1.065 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000173730400 292283220 /nfs/dbraw/zinc/28/32/20/292283220.db2.gz WQMSHCVBYBZZOM-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352214511 155029148 /nfs/dbraw/zinc/02/91/48/155029148.db2.gz ZSMHFZFZMWOOBP-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO CNC(=O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361265966 158777835 /nfs/dbraw/zinc/77/78/35/158777835.db2.gz LUMNSKRPFCFYPB-UHFFFAOYSA-N 1 1 291.311 1.039 20 5 CDBDMO CNC(=O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361265966 158777836 /nfs/dbraw/zinc/77/78/36/158777836.db2.gz LUMNSKRPFCFYPB-UHFFFAOYSA-N 1 1 291.311 1.039 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000363097784 159295669 /nfs/dbraw/zinc/29/56/69/159295669.db2.gz KECKGDFHAVPLBS-OCCSQVGLSA-N 1 1 289.335 1.951 20 5 CDBDMO C[C@H]1COCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374381991 160280778 /nfs/dbraw/zinc/28/07/78/160280778.db2.gz ZDHCIEOLVIPSIX-SNVBAGLBSA-N 1 1 293.323 1.162 20 5 CDBDMO C[C@H]1COCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374381991 160280779 /nfs/dbraw/zinc/28/07/79/160280779.db2.gz ZDHCIEOLVIPSIX-SNVBAGLBSA-N 1 1 293.323 1.162 20 5 CDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071950981 176303926 /nfs/dbraw/zinc/30/39/26/176303926.db2.gz DKALRPOWYMYESM-CYBMUJFWSA-N 1 1 277.324 1.477 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000361251900 274337963 /nfs/dbraw/zinc/33/79/63/274337963.db2.gz NOOGCBFSOWJYAV-SFYZADRCSA-N 1 1 292.299 1.043 20 5 CDBDMO Cc1cnc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489914622 274827274 /nfs/dbraw/zinc/82/72/74/274827274.db2.gz NHTZSURGCUAUGC-JTQLQIEISA-N 1 1 273.296 1.922 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000273549753 275040823 /nfs/dbraw/zinc/04/08/23/275040823.db2.gz ADYJXQYXXRRGRL-SECBINFHSA-N 1 1 274.284 1.492 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C)C1 ZINC000190330830 277004411 /nfs/dbraw/zinc/00/44/11/277004411.db2.gz VCZMIEMBIMASSG-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000272557594 277144163 /nfs/dbraw/zinc/14/41/63/277144163.db2.gz TZYRPQQLIUYGFE-NXEZZACHSA-N 1 1 279.296 1.354 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411383 280205925 /nfs/dbraw/zinc/20/59/25/280205925.db2.gz WPZCBYKHWNVUAN-MNOVXSKESA-N 1 1 252.318 1.912 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000577194213 317284060 /nfs/dbraw/zinc/28/40/60/317284060.db2.gz FPJQGILPJKNLED-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775426 332025307 /nfs/dbraw/zinc/02/53/07/332025307.db2.gz KXTXUSSEQREMJD-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000488775426 332025308 /nfs/dbraw/zinc/02/53/08/332025308.db2.gz KXTXUSSEQREMJD-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157219898 482454023 /nfs/dbraw/zinc/45/40/23/482454023.db2.gz HHPSLHCLCJAWKH-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157219898 482454024 /nfs/dbraw/zinc/45/40/24/482454024.db2.gz HHPSLHCLCJAWKH-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(C)C ZINC000112928166 521068505 /nfs/dbraw/zinc/06/85/05/521068505.db2.gz IODDASMZKRCNDL-UHFFFAOYSA-N 1 1 297.359 1.097 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357081 522392123 /nfs/dbraw/zinc/39/21/23/522392123.db2.gz NBAKXRIWGYZMPS-VHSXEESVSA-N 1 1 298.314 1.945 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1F ZINC000184357081 522392141 /nfs/dbraw/zinc/39/21/41/522392141.db2.gz NBAKXRIWGYZMPS-VHSXEESVSA-N 1 1 298.314 1.945 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161505982 523121321 /nfs/dbraw/zinc/12/13/21/523121321.db2.gz JMUYVUAKEIKWLN-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000338421985 525456221 /nfs/dbraw/zinc/45/62/21/525456221.db2.gz FRDYJHCDWPOAHI-UHFFFAOYSA-N 1 1 295.339 1.673 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000305425849 535320133 /nfs/dbraw/zinc/32/01/33/535320133.db2.gz BMVUWOZWUINWOU-JTQLQIEISA-N 1 1 268.317 1.027 20 5 CDBDMO CN[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423393354 536403970 /nfs/dbraw/zinc/40/39/70/536403970.db2.gz PCBWSEICUVDGHB-WDEREUQCSA-N 1 1 251.330 1.723 20 5 CDBDMO C[N@@H+]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681472 574820582 /nfs/dbraw/zinc/82/05/82/574820582.db2.gz DIBRGHWCQSRASG-NSHDSACASA-N 1 1 293.323 1.160 20 5 CDBDMO C[N@H+]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681472 574820583 /nfs/dbraw/zinc/82/05/83/574820583.db2.gz DIBRGHWCQSRASG-NSHDSACASA-N 1 1 293.323 1.160 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397423 575574640 /nfs/dbraw/zinc/57/46/40/575574640.db2.gz PRLJNNUCJQJBRE-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000771397423 575574643 /nfs/dbraw/zinc/57/46/43/575574643.db2.gz PRLJNNUCJQJBRE-NXEZZACHSA-N 1 1 292.339 1.342 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749949545 576969544 /nfs/dbraw/zinc/96/95/44/576969544.db2.gz XGIGUBAEVNXSQU-SECBINFHSA-N 1 1 275.312 1.947 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891781378 617585778 /nfs/dbraw/zinc/58/57/78/617585778.db2.gz IEIPZDCJSHHBFG-JTQLQIEISA-N 1 1 292.339 1.895 20 5 CDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000934040298 617865400 /nfs/dbraw/zinc/86/54/00/617865400.db2.gz NASRLQXRILIURK-DGCLKSJQSA-N 1 1 284.287 1.627 20 5 CDBDMO COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000894250707 618756540 /nfs/dbraw/zinc/75/65/40/618756540.db2.gz AXYGHOBCIBXMDP-JTQLQIEISA-N 1 1 280.328 1.529 20 5 CDBDMO COc1c(C(=O)NC[C@@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000928557980 619371761 /nfs/dbraw/zinc/37/17/61/619371761.db2.gz VXHYGNWZMHBVKT-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO COc1c(C(=O)NC[C@@H]2CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000928557980 619371763 /nfs/dbraw/zinc/37/17/63/619371763.db2.gz VXHYGNWZMHBVKT-VIFPVBQESA-N 1 1 279.296 1.037 20 5 CDBDMO C[NH+]1CCC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000147659581 620852574 /nfs/dbraw/zinc/85/25/74/620852574.db2.gz IPACLLWKGOCUCL-CQSZACIVSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000899873987 622500354 /nfs/dbraw/zinc/50/03/54/622500354.db2.gz XAIXMSPGGFDYNE-OCCSQVGLSA-N 1 1 263.341 1.688 20 5 CDBDMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000899873987 622500358 /nfs/dbraw/zinc/50/03/58/622500358.db2.gz XAIXMSPGGFDYNE-OCCSQVGLSA-N 1 1 263.341 1.688 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CNOC3)o2)cc1 ZINC000904426992 626289802 /nfs/dbraw/zinc/28/98/02/626289802.db2.gz MQLPPRZHBYVRMX-NSHDSACASA-N 1 1 289.291 1.848 20 5 CDBDMO Cc1ccc(CON=C(N)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000904435296 626293347 /nfs/dbraw/zinc/29/33/47/626293347.db2.gz PCHPPWFXELJEOX-UHFFFAOYSA-N 1 1 266.301 1.463 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905651362 626900205 /nfs/dbraw/zinc/90/02/05/626900205.db2.gz NBOAQHOBJICWBH-NSHDSACASA-N 1 1 280.353 1.585 20 5 CDBDMO C[N@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000917082906 632144005 /nfs/dbraw/zinc/14/40/05/632144005.db2.gz YBQPNAYKFNIUAP-MRVPVSSYSA-N 1 1 271.704 1.504 20 5 CDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1c(C)cccc1[N+](=O)[O-] ZINC001170338994 1162346650 /nfs/dbraw/zinc/34/66/50/1162346650.db2.gz CJYLFOTVPQPRNX-UHFFFAOYSA-N 1 1 276.296 1.604 20 5 CDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054085 1162187500 /nfs/dbraw/zinc/18/75/00/1162187500.db2.gz XAXUOQYCKRBFSF-NWDGAFQWSA-N 1 1 271.361 1.280 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000791052671 1162187836 /nfs/dbraw/zinc/18/78/36/1162187836.db2.gz AFRCKWWMIYVDCQ-LBPRGKRZSA-N 1 1 278.308 1.871 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000791052671 1162187837 /nfs/dbraw/zinc/18/78/37/1162187837.db2.gz AFRCKWWMIYVDCQ-LBPRGKRZSA-N 1 1 278.308 1.871 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632750 1162238382 /nfs/dbraw/zinc/23/83/82/1162238382.db2.gz RDRVAZGHNFOKAN-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO C[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124799379 1175335622 /nfs/dbraw/zinc/33/56/22/1175335622.db2.gz PGYJCBPTHXACSW-UHFFFAOYSA-N 1 1 254.286 1.288 20 5 CDBDMO Cc1cc([N+](=O)[O-])cc(N[C@H](N)CCC[NH3+])c1F ZINC001170902156 1164192604 /nfs/dbraw/zinc/19/26/04/1164192604.db2.gz BOYXGNZHYBUACX-JTQLQIEISA-N 1 1 256.281 1.478 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])cn1 ZINC001164636399 719211523 /nfs/dbraw/zinc/21/15/23/719211523.db2.gz KBWPSNJQIVFTTR-DTWKUNHWSA-N 1 1 265.317 1.101 20 5 CDBDMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC001164636397 719211921 /nfs/dbraw/zinc/21/19/21/719211921.db2.gz KBWPSNJQIVFTTR-BDAKNGLRSA-N 1 1 265.317 1.101 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879693423 805035783 /nfs/dbraw/zinc/03/57/83/805035783.db2.gz CMFITBVRBLAGKG-UTUOFQBUSA-N 1 1 280.324 1.188 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886571772 805057163 /nfs/dbraw/zinc/05/71/63/805057163.db2.gz IEFKKXDTAWGEJI-PHIMTYICSA-N 1 1 265.338 1.785 20 5 CDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249475 805236683 /nfs/dbraw/zinc/23/66/83/805236683.db2.gz HBUBMNFZOPNCAW-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000933249475 805236696 /nfs/dbraw/zinc/23/66/96/805236696.db2.gz HBUBMNFZOPNCAW-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000933249475 805236718 /nfs/dbraw/zinc/23/67/18/805236718.db2.gz HBUBMNFZOPNCAW-CYBMUJFWSA-N 1 1 295.387 1.453 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931654288 805291264 /nfs/dbraw/zinc/29/12/64/805291264.db2.gz JTBJJYNDBORHRQ-GFCCVEGCSA-N 1 1 293.323 1.218 20 5 CDBDMO COCC[N@@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876683569 811201229 /nfs/dbraw/zinc/20/12/29/811201229.db2.gz VLQZAYZSZDEYPU-UHFFFAOYSA-N 1 1 282.340 1.652 20 5 CDBDMO COCC[N@H+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000073586056 811724586 /nfs/dbraw/zinc/72/45/86/811724586.db2.gz VCHNGWTUKPMDQB-UHFFFAOYSA-N 1 1 256.306 1.353 20 5 CDBDMO COCC[N@@H+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000073586056 811724601 /nfs/dbraw/zinc/72/46/01/811724601.db2.gz VCHNGWTUKPMDQB-UHFFFAOYSA-N 1 1 256.306 1.353 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(F)(F)C[NH3+])c1C ZINC000884253641 811887329 /nfs/dbraw/zinc/88/73/29/811887329.db2.gz PTJDZDXKNFUDCI-UHFFFAOYSA-N 1 1 287.266 1.535 20 5 CDBDMO COc1ccc(C[NH2+][C@H](C)c2cnnn2C)cc1[N+](=O)[O-] ZINC000924841697 812024413 /nfs/dbraw/zinc/02/44/13/812024413.db2.gz LIJDLTJEDYBCQY-SECBINFHSA-N 1 1 291.311 1.583 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2ccc(N)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799884 812049689 /nfs/dbraw/zinc/04/96/89/812049689.db2.gz OWTUFKNTHBYPGE-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2ccc(N)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799884 812049700 /nfs/dbraw/zinc/04/97/00/812049700.db2.gz OWTUFKNTHBYPGE-GHMZBOCLSA-N 1 1 294.355 1.698 20 5 CDBDMO C[N@@H+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000837227458 812088343 /nfs/dbraw/zinc/08/83/43/812088343.db2.gz XCLACEJRMODUOL-UHFFFAOYSA-N 1 1 285.388 1.813 20 5 CDBDMO COC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832401266 812096050 /nfs/dbraw/zinc/09/60/50/812096050.db2.gz UVKOQIHTJZUFER-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000832401266 812096060 /nfs/dbraw/zinc/09/60/60/812096060.db2.gz UVKOQIHTJZUFER-AWEZNQCLSA-N 1 1 298.314 1.565 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000886267749 812101703 /nfs/dbraw/zinc/10/17/03/812101703.db2.gz UODLPLYHTXOPMA-UHFFFAOYSA-N 1 1 277.324 1.727 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000882958592 812174287 /nfs/dbraw/zinc/17/42/87/812174287.db2.gz FJMMFYWDVAVMHZ-JTQLQIEISA-N 1 1 283.303 1.732 20 5 CDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835212434 812820750 /nfs/dbraw/zinc/82/07/50/812820750.db2.gz LICDSVUTDOOZDG-SNVBAGLBSA-N 1 1 283.328 1.959 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591219 812840191 /nfs/dbraw/zinc/84/01/91/812840191.db2.gz HTZOENVAZMZTLF-CHWSQXEVSA-N 1 1 266.297 1.349 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402392 813038524 /nfs/dbraw/zinc/03/85/24/813038524.db2.gz QMFDNVSIYDQKTN-ZIAGYGMSSA-N 1 1 280.324 1.475 20 5 CDBDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000863669927 813292180 /nfs/dbraw/zinc/29/21/80/813292180.db2.gz GXTLVLCJKKMROS-MRVPVSSYSA-N 1 1 294.315 1.814 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886626845 813335141 /nfs/dbraw/zinc/33/51/41/813335141.db2.gz MICAQOGKAUMGBS-CHWSQXEVSA-N 1 1 280.328 1.028 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[N+](=O)[O-] ZINC000791052473 813354823 /nfs/dbraw/zinc/35/48/23/813354823.db2.gz OGKVSBUJWXVUPT-CQSZACIVSA-N 1 1 277.368 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000776596515 813625976 /nfs/dbraw/zinc/62/59/76/813625976.db2.gz GHRNTYQIKPFWBW-CABCVRRESA-N 1 1 292.335 1.739 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000776596515 813626015 /nfs/dbraw/zinc/62/60/15/813626015.db2.gz GHRNTYQIKPFWBW-CABCVRRESA-N 1 1 292.335 1.739 20 5 CDBDMO O=[N+]([O-])CC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000931707267 813703731 /nfs/dbraw/zinc/70/37/31/813703731.db2.gz AZQZTGCFSSRCND-MNOVXSKESA-N 1 1 292.257 1.387 20 5 CDBDMO CCOCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606464 813774310 /nfs/dbraw/zinc/77/43/10/813774310.db2.gz WYVUOWGQPLRBJH-CYBMUJFWSA-N 1 1 268.313 1.597 20 5 CDBDMO COC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000112961347 813808270 /nfs/dbraw/zinc/80/82/70/813808270.db2.gz VINVUEBRWHVMJC-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000112961347 813808271 /nfs/dbraw/zinc/80/82/71/813808271.db2.gz VINVUEBRWHVMJC-SNVBAGLBSA-N 1 1 254.290 1.107 20 5 CDBDMO CC(C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000148453 813819888 /nfs/dbraw/zinc/81/98/88/813819888.db2.gz DZUOLLSFJKRIOY-CHWSQXEVSA-N 1 1 295.383 1.421 20 5 CDBDMO CC(C)(CCC(=O)O[C@@H]1CC[N@H+](CCF)C1)[N+](=O)[O-] ZINC000835372211 814268700 /nfs/dbraw/zinc/26/87/00/814268700.db2.gz UBOAJRWMNBSXAI-SNVBAGLBSA-N 1 1 276.308 1.409 20 5 CDBDMO CC(C)(CCC(=O)O[C@@H]1CC[N@@H+](CCF)C1)[N+](=O)[O-] ZINC000835372211 814268717 /nfs/dbraw/zinc/26/87/17/814268717.db2.gz UBOAJRWMNBSXAI-SNVBAGLBSA-N 1 1 276.308 1.409 20 5 CDBDMO CC1(C)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886179253 814749477 /nfs/dbraw/zinc/74/94/77/814749477.db2.gz QIQUTEBSFDTCBI-SNVBAGLBSA-N 1 1 251.286 1.193 20 5 CDBDMO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886179253 814749467 /nfs/dbraw/zinc/74/94/67/814749467.db2.gz QIQUTEBSFDTCBI-SNVBAGLBSA-N 1 1 251.286 1.193 20 5 CDBDMO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886916302 816763407 /nfs/dbraw/zinc/76/34/07/816763407.db2.gz RRUZYABVBKZWKO-WDEREUQCSA-N 1 1 299.327 1.422 20 5 CDBDMO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839561755 816877493 /nfs/dbraw/zinc/87/74/93/816877493.db2.gz XGGVCYNVOLOJMP-IJLUTSLNSA-N 1 1 271.361 1.278 20 5 CDBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929884038 816907863 /nfs/dbraw/zinc/90/78/63/816907863.db2.gz CJNXVDQYIDUQAG-LLVKDONJSA-N 1 1 278.312 1.009 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000886252252 817567781 /nfs/dbraw/zinc/56/77/81/817567781.db2.gz YIYRZQKOUXJRQV-GFCCVEGCSA-N 1 1 279.340 1.974 20 5 CDBDMO Nc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000804624993 817711757 /nfs/dbraw/zinc/71/17/57/817711757.db2.gz UZHBVGUYCZESJS-SNVBAGLBSA-N 1 1 273.296 1.800 20 5 CDBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885979527 817744798 /nfs/dbraw/zinc/74/47/98/817744798.db2.gz FKQFYWCJIMGJQA-LBPRGKRZSA-N 1 1 293.323 1.907 20 5 CDBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885979527 817744807 /nfs/dbraw/zinc/74/48/07/817744807.db2.gz FKQFYWCJIMGJQA-LBPRGKRZSA-N 1 1 293.323 1.907 20 5 CDBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930999785 817854269 /nfs/dbraw/zinc/85/42/69/817854269.db2.gz MUQIORICIGZDED-HNNXBMFYSA-N 1 1 277.368 1.512 20 5 CDBDMO CSCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000799159078 817886063 /nfs/dbraw/zinc/88/60/63/817886063.db2.gz BQOCMLDJEJQORY-UHFFFAOYSA-N 1 1 258.347 1.742 20 5 CDBDMO CSCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000799159078 817886066 /nfs/dbraw/zinc/88/60/66/817886066.db2.gz BQOCMLDJEJQORY-UHFFFAOYSA-N 1 1 258.347 1.742 20 5 CDBDMO Cc1cc(-c2noc(C3([NH3+])CC3)n2)cc([N+](=O)[O-])c1 ZINC000843239477 817892371 /nfs/dbraw/zinc/89/23/71/817892371.db2.gz MFRRPIMZMQEDCD-UHFFFAOYSA-N 1 1 260.253 1.901 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[NH3+])cc1=N ZINC001173215778 912297557 /nfs/dbraw/zinc/29/75/57/912297557.db2.gz ZNZCOUAEUMWKOT-SNVBAGLBSA-N 1 1 287.323 1.533 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001173222163 912304762 /nfs/dbraw/zinc/30/47/62/912304762.db2.gz PRQYVKLUTJCPEM-KYOSRNDESA-N 1 1 294.351 1.201 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1CO ZINC001173221760 912305717 /nfs/dbraw/zinc/30/57/17/912305717.db2.gz LUHRQYXRGLOQCI-SMDDNHRTSA-N 1 1 264.325 1.983 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001173220446 912306892 /nfs/dbraw/zinc/30/68/92/912306892.db2.gz ADSJXWGYIHOOQI-HONMWMINSA-N 1 1 282.315 1.931 20 5 CDBDMO CC(=O)N(C)C1C[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227595 912319160 /nfs/dbraw/zinc/31/91/60/912319160.db2.gz REAURPHDSSYVNS-NSHDSACASA-N 1 1 291.351 1.688 20 5 CDBDMO COC[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233173 912324364 /nfs/dbraw/zinc/32/43/64/912324364.db2.gz UHPCZIIRQZEAAB-WFASDCNBSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001173233173 912324377 /nfs/dbraw/zinc/32/43/77/912324377.db2.gz UHPCZIIRQZEAAB-WFASDCNBSA-N 1 1 294.351 1.873 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001173230237 912325492 /nfs/dbraw/zinc/32/54/92/912325492.db2.gz DFOPBJMORBZJQC-CQDKDKBSSA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001173230237 912325506 /nfs/dbraw/zinc/32/55/06/912325506.db2.gz DFOPBJMORBZJQC-CQDKDKBSSA-N 1 1 275.352 1.914 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001173230237 912325521 /nfs/dbraw/zinc/32/55/21/912325521.db2.gz DFOPBJMORBZJQC-CQDKDKBSSA-N 1 1 275.352 1.914 20 5 CDBDMO C[NH+](C)CCOc1cc(NC=N)ccc1[N+](=O)[O-] ZINC001167866714 901505580 /nfs/dbraw/zinc/50/55/80/901505580.db2.gz CNTIVFFCWGXMGD-UHFFFAOYSA-N 1 1 252.274 1.554 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977174 927564037 /nfs/dbraw/zinc/56/40/37/927564037.db2.gz IQYNTOBZRSMBPV-YNEHKIRRSA-N 1 1 255.362 1.506 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001169013993 927619056 /nfs/dbraw/zinc/61/90/56/927619056.db2.gz XLFQQNRUBFDGDV-ZDCRXTMVSA-N 1 1 276.283 1.398 20 5 CDBDMO CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034912 927640875 /nfs/dbraw/zinc/64/08/75/927640875.db2.gz IMWALRUNSNFAET-ZDEQEGDKSA-N 1 1 253.346 1.210 20 5 CDBDMO CC(C)(C)N1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033620 927642526 /nfs/dbraw/zinc/64/25/26/927642526.db2.gz COEKCIZHRHMYAD-RYUDHWBXSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(C)(C)N1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1=O ZINC001169033620 927642531 /nfs/dbraw/zinc/64/25/31/927642531.db2.gz COEKCIZHRHMYAD-RYUDHWBXSA-N 1 1 283.372 1.375 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036517 927643963 /nfs/dbraw/zinc/64/39/63/927643963.db2.gz GHPIIHXTQFQFOX-WOPDTQHZSA-N 1 1 256.346 1.667 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3nccn3CC2)C1 ZINC001169036574 927646214 /nfs/dbraw/zinc/64/62/14/927646214.db2.gz GSVSPCTUPHGUSE-VXGBXAGGSA-N 1 1 264.329 1.187 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC3(CCOCC3)C2)C1 ZINC001169039520 927650093 /nfs/dbraw/zinc/65/00/93/927650093.db2.gz QVOUUTYJXYOSFI-OLZOCXBDSA-N 1 1 284.356 1.313 20 5 CDBDMO CC[N@@H+](CCn1cccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039067 927650752 /nfs/dbraw/zinc/65/07/52/927650752.db2.gz MWVVHUFGHFXRMJ-CHWSQXEVSA-N 1 1 266.345 1.650 20 5 CDBDMO C[N@@H+](CCN1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039833 927654434 /nfs/dbraw/zinc/65/44/34/927654434.db2.gz UPXPTCALFROYDR-STQMWFEESA-N 1 1 255.362 1.459 20 5 CDBDMO CN(CC[NH+]1CCCC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039833 927654448 /nfs/dbraw/zinc/65/44/48/927654448.db2.gz UPXPTCALFROYDR-STQMWFEESA-N 1 1 255.362 1.459 20 5 CDBDMO O=c1ccc2c([nH]1)CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169040378 927654768 /nfs/dbraw/zinc/65/47/68/927654768.db2.gz ZMVFPBHTQKFSDA-AAEUAGOBSA-N 1 1 291.351 1.633 20 5 CDBDMO CCN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053583 927671076 /nfs/dbraw/zinc/67/10/76/927671076.db2.gz JBVXPIHHMMHRKA-QWHCGFSZSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053583 927671085 /nfs/dbraw/zinc/67/10/85/927671085.db2.gz JBVXPIHHMMHRKA-QWHCGFSZSA-N 1 1 269.389 1.848 20 5 CDBDMO CC[N@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C(C)(C)C1 ZINC001169053583 927671097 /nfs/dbraw/zinc/67/10/97/927671097.db2.gz JBVXPIHHMMHRKA-QWHCGFSZSA-N 1 1 269.389 1.848 20 5 CDBDMO CCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169054630 927672899 /nfs/dbraw/zinc/67/28/99/927672899.db2.gz NBEMLNIGHOHWOC-REWJHTLYSA-N 1 1 267.373 1.315 20 5 CDBDMO COC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583122 927748215 /nfs/dbraw/zinc/74/82/15/927748215.db2.gz XCBPVRKSEDJGJA-DOMZBBRYSA-N 1 1 294.351 1.987 20 5 CDBDMO Cc1noc(CO[NH+]=C(N)CC(C)C)c1[N+](=O)[O-] ZINC000853659751 928069748 /nfs/dbraw/zinc/06/97/48/928069748.db2.gz KXLGRGGUBUENMJ-UHFFFAOYSA-N 1 1 256.262 1.936 20 5 CDBDMO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1COCCN1 ZINC001170042255 929123651 /nfs/dbraw/zinc/12/36/51/929123651.db2.gz BPSZBABIZYQCSV-OAHLLOKOSA-N 1 1 278.420 1.683 20 5 CDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000882274290 929970800 /nfs/dbraw/zinc/97/08/00/929970800.db2.gz GBGCOBYYOBRYKC-TXEJJXNPSA-N 1 1 289.335 1.795 20 5 CDBDMO COc1c(F)cc(N[C@@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900124 930701222 /nfs/dbraw/zinc/70/12/22/930701222.db2.gz IOLRTVUBERQSBY-SNVBAGLBSA-N 1 1 272.280 1.178 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NCC[N@H+](C)C(C)C ZINC001117290670 937507008 /nfs/dbraw/zinc/50/70/08/937507008.db2.gz KDTIMLJIFIAQKU-UHFFFAOYSA-N 1 1 252.318 1.472 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2CO)cc1 ZINC000847014486 932183204 /nfs/dbraw/zinc/18/32/04/932183204.db2.gz JWYBFLDGUVLZMH-CABCVRRESA-N 1 1 294.351 1.865 20 5 CDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001156389719 938361899 /nfs/dbraw/zinc/36/18/99/938361899.db2.gz QUHFXCGDTNQFNL-GFCCVEGCSA-N 1 1 294.355 1.680 20 5 CDBDMO CC[N@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001163773358 939327185 /nfs/dbraw/zinc/32/71/85/939327185.db2.gz AKLYRQXAAOAFAF-UHFFFAOYSA-N 1 1 280.328 1.530 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+](C(C)C)[C@H](C)C2)n1 ZINC001165199152 939522545 /nfs/dbraw/zinc/52/25/45/939522545.db2.gz JZVGGIJOXHOHBR-SNVBAGLBSA-N 1 1 279.344 1.612 20 5 CDBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229941076 942554547 /nfs/dbraw/zinc/55/45/47/942554547.db2.gz HTBCDJDBNIVVNP-QMMMGPOBSA-N 1 1 298.270 1.603 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1CO ZINC001254552321 947522247 /nfs/dbraw/zinc/52/22/47/947522247.db2.gz KWNQTACBNSWNPH-AAEUAGOBSA-N 1 1 264.325 1.983 20 5 CDBDMO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001247722228 948728555 /nfs/dbraw/zinc/72/85/55/948728555.db2.gz NVVWVOPTOSTWOA-UHFFFAOYSA-N 1 1 265.204 1.127 20 5 CDBDMO CNc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001252483409 951346840 /nfs/dbraw/zinc/34/68/40/951346840.db2.gz SZFADCFTCXFAJK-UHFFFAOYSA-N 1 1 290.323 1.238 20 5 CDBDMO CO[C@](C)(CO)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308839988 956588084 /nfs/dbraw/zinc/58/80/84/956588084.db2.gz ICAYZOYIGXDPIC-ZDUSSCGKSA-N 1 1 295.295 1.223 20 5 CDBDMO Cc1nc(NC[C@@H]2CCCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001334940257 959472803 /nfs/dbraw/zinc/47/28/03/959472803.db2.gz WSWMHHUOYXWLPA-NSHDSACASA-N 1 1 279.344 1.837 20 5 CDBDMO COCC[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001320980005 959501499 /nfs/dbraw/zinc/50/14/99/959501499.db2.gz BRFBTVGULSJJJC-UHFFFAOYSA-N 1 1 280.328 1.067 20 5 CDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001339340771 962313510 /nfs/dbraw/zinc/31/35/10/962313510.db2.gz ORGHTWIWUYDILG-WDEREUQCSA-N 1 1 296.375 1.166 20 5 CDBDMO CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471858 968287496 /nfs/dbraw/zinc/28/74/96/968287496.db2.gz KVERDOYKPWVSBL-ZIAGYGMSSA-N 1 1 297.399 1.668 20 5 CDBDMO CC(C)(CO)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000587979246 342487861 /nfs/dbraw/zinc/48/78/61/342487861.db2.gz JABULCCFUJTDMC-UHFFFAOYSA-N 1 1 297.330 1.627 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000601188277 342488099 /nfs/dbraw/zinc/48/80/99/342488099.db2.gz FVWYKQXJKWGAIV-LLVKDONJSA-N 1 1 264.329 1.910 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000124441758 187137841 /nfs/dbraw/zinc/13/78/41/187137841.db2.gz QBPUNIHOAFOITE-CQSZACIVSA-N 1 1 293.323 1.041 20 5 CDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773192 300220443 /nfs/dbraw/zinc/22/04/43/300220443.db2.gz XMKIIXXUUAKWCO-WDEREUQCSA-N 1 1 264.329 1.766 20 5 CDBDMO CC(=O)NCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000564991036 365545951 /nfs/dbraw/zinc/54/59/51/365545951.db2.gz VUGLRDLQLSXNPQ-FNORWQNLSA-N 1 1 277.324 1.676 20 5 CDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000083187600 178352238 /nfs/dbraw/zinc/35/22/38/178352238.db2.gz MPFOVMSQUDOZFF-UHFFFAOYSA-N 1 1 279.296 1.939 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCC[NH2+]C2CC2)n1 ZINC000591577287 342637729 /nfs/dbraw/zinc/63/77/29/342637729.db2.gz MKGMCSOIGLNNSI-CHWSQXEVSA-N 1 1 293.371 1.617 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591581001 342637925 /nfs/dbraw/zinc/63/79/25/342637925.db2.gz IWGHIROBYPWIGC-USWWRNFRSA-N 1 1 267.304 1.945 20 5 CDBDMO COc1ccc(CN(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000592477132 342699183 /nfs/dbraw/zinc/69/91/83/342699183.db2.gz YWVOBRPCYPHOTI-UHFFFAOYSA-N 1 1 283.328 1.011 20 5 CDBDMO CCOc1cc(C[N@@H+](CCO)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000289872642 361865326 /nfs/dbraw/zinc/86/53/26/361865326.db2.gz QVIUKAOASRMAHV-LLVKDONJSA-N 1 1 298.339 1.169 20 5 CDBDMO Cc1cccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593502885 342808718 /nfs/dbraw/zinc/80/87/18/342808718.db2.gz DQDVGORKJVDPRP-GFCCVEGCSA-N 1 1 277.324 1.158 20 5 CDBDMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137520050 361931424 /nfs/dbraw/zinc/93/14/24/361931424.db2.gz QXDDMPOJDGMGPY-SNVBAGLBSA-N 1 1 297.359 1.558 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399861 343048679 /nfs/dbraw/zinc/04/86/79/343048679.db2.gz GFUFZFHERLSRLY-KCJUWKMLSA-N 1 1 254.261 1.689 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399861 343048681 /nfs/dbraw/zinc/04/86/81/343048681.db2.gz GFUFZFHERLSRLY-KCJUWKMLSA-N 1 1 254.261 1.689 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595449633 343054191 /nfs/dbraw/zinc/05/41/91/343054191.db2.gz PCYZVBSBICWMPK-VIFPVBQESA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000595449633 343054192 /nfs/dbraw/zinc/05/41/92/343054192.db2.gz PCYZVBSBICWMPK-VIFPVBQESA-N 1 1 255.274 1.238 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000595445991 343063290 /nfs/dbraw/zinc/06/32/90/343063290.db2.gz ANFAARIRYIOVNS-GFCCVEGCSA-N 1 1 291.286 1.772 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000595445991 343063293 /nfs/dbraw/zinc/06/32/93/343063293.db2.gz ANFAARIRYIOVNS-GFCCVEGCSA-N 1 1 291.286 1.772 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595450306 343066161 /nfs/dbraw/zinc/06/61/61/343066161.db2.gz UHVUVOAJRAHCBE-ZDUSSCGKSA-N 1 1 283.328 1.876 20 5 CDBDMO CC[C@]1(CO)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595450306 343066162 /nfs/dbraw/zinc/06/61/62/343066162.db2.gz UHVUVOAJRAHCBE-ZDUSSCGKSA-N 1 1 283.328 1.876 20 5 CDBDMO COC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524152 343088798 /nfs/dbraw/zinc/08/87/98/343088798.db2.gz YKQZIHSJBMNNJB-SNVBAGLBSA-N 1 1 269.301 1.892 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524152 343088799 /nfs/dbraw/zinc/08/87/99/343088799.db2.gz YKQZIHSJBMNNJB-SNVBAGLBSA-N 1 1 269.301 1.892 20 5 CDBDMO C[C@H](CNc1ccc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000077995651 342332809 /nfs/dbraw/zinc/33/28/09/342332809.db2.gz KRNWSGNSVNWBMH-LLVKDONJSA-N 1 1 280.328 1.370 20 5 CDBDMO O=[N+]([O-])c1cccnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404344 342336769 /nfs/dbraw/zinc/33/67/69/342336769.db2.gz FXLXBKGFXNNLPH-LBPRGKRZSA-N 1 1 292.339 1.148 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1=CCSC1 ZINC000595890210 343181538 /nfs/dbraw/zinc/18/15/38/343181538.db2.gz ZVTVGXBLOXMFDT-UHFFFAOYSA-N 1 1 268.342 1.396 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596306931 343293470 /nfs/dbraw/zinc/29/34/70/343293470.db2.gz JSSUDWFQLXMWSS-NSHDSACASA-N 1 1 278.356 1.944 20 5 CDBDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000090885739 342396074 /nfs/dbraw/zinc/39/60/74/342396074.db2.gz QOQCHSIUHPLXSE-HZMBPMFUSA-N 1 1 290.323 1.713 20 5 CDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598342238 343770669 /nfs/dbraw/zinc/77/06/69/343770669.db2.gz LBHGKHBMUVBFCN-JTQLQIEISA-N 1 1 283.353 1.870 20 5 CDBDMO Cc1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000602599464 344503968 /nfs/dbraw/zinc/50/39/68/344503968.db2.gz PNMIASPXCJVNMT-UHFFFAOYSA-N 1 1 275.312 1.396 20 5 CDBDMO Cc1nnc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602599464 344503969 /nfs/dbraw/zinc/50/39/69/344503969.db2.gz PNMIASPXCJVNMT-UHFFFAOYSA-N 1 1 275.312 1.396 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000602782728 344597623 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364246127 /nfs/dbraw/zinc/24/61/27/364246127.db2.gz FBSBSIDXEWIZAG-JTQLQIEISA-N 1 1 280.328 1.479 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903527 366944862 /nfs/dbraw/zinc/94/48/62/366944862.db2.gz MWOJFFRVXBAKEO-BXUZGUMPSA-N 1 1 280.324 1.676 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000270858170 366938230 /nfs/dbraw/zinc/93/82/30/366938230.db2.gz HTFRVDKDXMOTRP-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000270858170 366938234 /nfs/dbraw/zinc/93/82/34/366938234.db2.gz HTFRVDKDXMOTRP-ZANVPECISA-N 1 1 268.288 1.937 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357586415 367082711 /nfs/dbraw/zinc/08/27/11/367082711.db2.gz XTGJFBLHEYSGGS-VIFPVBQESA-N 1 1 295.343 1.229 20 5 CDBDMO CC1(O)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000161200368 367575388 /nfs/dbraw/zinc/57/53/88/367575388.db2.gz WBAQNHUEEMVOIO-UHFFFAOYSA-N 1 1 293.323 1.041 20 5 CDBDMO CC1(C)C[NH2+]CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420353765 244129580 /nfs/dbraw/zinc/12/95/80/244129580.db2.gz CAHLLIAWCFPKDG-AWEZNQCLSA-N 1 1 293.367 1.951 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000420634086 244299891 /nfs/dbraw/zinc/29/98/91/244299891.db2.gz KJBZIYZUBISYBP-LLVKDONJSA-N 1 1 264.329 1.829 20 5 CDBDMO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129884075 370053456 /nfs/dbraw/zinc/05/34/56/370053456.db2.gz VRDSDJTWLFHSSF-SMDDNHRTSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000129884075 370053459 /nfs/dbraw/zinc/05/34/59/370053459.db2.gz VRDSDJTWLFHSSF-SMDDNHRTSA-N 1 1 280.324 1.219 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295777914 370638865 /nfs/dbraw/zinc/63/88/65/370638865.db2.gz TXANKINPDRTCGF-UHFFFAOYSA-N 1 1 281.312 1.169 20 5 CDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981647 371268331 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C[C@@H]1[C@H](O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000590762153 391922753 /nfs/dbraw/zinc/92/27/53/391922753.db2.gz IRNRRPYMYWXCIE-ZYHUDNBSSA-N 1 1 266.297 1.429 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000245767097 131088816 /nfs/dbraw/zinc/08/88/16/131088816.db2.gz JQKURKJZMLVDDN-ONGXEEELSA-N 1 1 295.339 1.543 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)[C@H]1C ZINC000419376930 392891329 /nfs/dbraw/zinc/89/13/29/392891329.db2.gz UKYVUVUVUXFDJJ-WOPDTQHZSA-N 1 1 279.340 1.733 20 5 CDBDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000429577972 393082564 /nfs/dbraw/zinc/08/25/64/393082564.db2.gz HJMDYDOMTQQDIO-NXEZZACHSA-N 1 1 252.318 1.949 20 5 CDBDMO C[C@H]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000429571998 393083255 /nfs/dbraw/zinc/08/32/55/393083255.db2.gz YJKJPVNVICOMRJ-NWDGAFQWSA-N 1 1 279.340 1.877 20 5 CDBDMO CC(C)NC(=O)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000228944211 140198824 /nfs/dbraw/zinc/19/88/24/140198824.db2.gz IDHQHZMFNOYUKP-QMMMGPOBSA-N 1 1 271.342 1.659 20 5 CDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000231677247 140217657 /nfs/dbraw/zinc/21/76/57/140217657.db2.gz DDBCZSOFWFNCRK-KOLCDFICSA-N 1 1 293.323 1.513 20 5 CDBDMO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000093085441 147035149 /nfs/dbraw/zinc/03/51/49/147035149.db2.gz YVCBGVMXEGAZPS-UHFFFAOYSA-N 1 1 289.291 1.999 20 5 CDBDMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352397428 155158013 /nfs/dbraw/zinc/15/80/13/155158013.db2.gz JRSPSSMDKRWBSV-AAEUAGOBSA-N 1 1 284.360 1.663 20 5 CDBDMO C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343571684 152228684 /nfs/dbraw/zinc/22/86/84/152228684.db2.gz ZXDSEHXYCOFGHG-UWVGGRQHSA-N 1 1 250.302 1.884 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970790 152374360 /nfs/dbraw/zinc/37/43/60/152374360.db2.gz IQKQAURIKUSQEZ-JTQLQIEISA-N 1 1 265.317 1.093 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007136 153022857 /nfs/dbraw/zinc/02/28/57/153022857.db2.gz ZKKMJCARLWQBFF-IUCAKERBSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007136 153022859 /nfs/dbraw/zinc/02/28/59/153022859.db2.gz ZKKMJCARLWQBFF-IUCAKERBSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007136 153022861 /nfs/dbraw/zinc/02/28/61/153022861.db2.gz ZKKMJCARLWQBFF-IUCAKERBSA-N 1 1 295.343 1.181 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000346007136 153022864 /nfs/dbraw/zinc/02/28/64/153022864.db2.gz ZKKMJCARLWQBFF-IUCAKERBSA-N 1 1 295.343 1.181 20 5 CDBDMO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000350311974 154362345 /nfs/dbraw/zinc/36/23/45/154362345.db2.gz KVDJPRNLLRATFL-GFCCVEGCSA-N 1 1 281.287 1.444 20 5 CDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000354019633 156229688 /nfs/dbraw/zinc/22/96/88/156229688.db2.gz JNQJRYGRHWMHBE-SECBINFHSA-N 1 1 267.285 1.354 20 5 CDBDMO COc1cc(C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000355376530 157014610 /nfs/dbraw/zinc/01/46/10/157014610.db2.gz WHECHGXMGJHIPQ-UHFFFAOYSA-N 1 1 296.323 1.567 20 5 CDBDMO COc1cc(C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000355376530 157014612 /nfs/dbraw/zinc/01/46/12/157014612.db2.gz WHECHGXMGJHIPQ-UHFFFAOYSA-N 1 1 296.323 1.567 20 5 CDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C2CC2)O1 ZINC000373405058 160197942 /nfs/dbraw/zinc/19/79/42/160197942.db2.gz SGVWLURETYJKSO-CMPLNLGQSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C2CC2)O1 ZINC000373405058 160197943 /nfs/dbraw/zinc/19/79/43/160197943.db2.gz SGVWLURETYJKSO-CMPLNLGQSA-N 1 1 280.328 1.291 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000285375533 196265203 /nfs/dbraw/zinc/26/52/03/196265203.db2.gz RMRIBRCTWLNLTA-BDAKNGLRSA-N 1 1 286.278 1.933 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000285375533 196265205 /nfs/dbraw/zinc/26/52/05/196265205.db2.gz RMRIBRCTWLNLTA-BDAKNGLRSA-N 1 1 286.278 1.933 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720980 270601514 /nfs/dbraw/zinc/60/15/14/270601514.db2.gz UQXMOGLSLZQLBL-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCC(F)(F)F ZINC000090524557 279278742 /nfs/dbraw/zinc/27/87/42/279278742.db2.gz OKGVFZNWUHQBQO-UHFFFAOYSA-N 1 1 293.245 1.641 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCC(F)(F)F ZINC000090524557 279278743 /nfs/dbraw/zinc/27/87/43/279278743.db2.gz OKGVFZNWUHQBQO-UHFFFAOYSA-N 1 1 293.245 1.641 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000576911910 317229185 /nfs/dbraw/zinc/22/91/85/317229185.db2.gz PRIJJBGWQASFBM-WDEREUQCSA-N 1 1 279.344 1.260 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000577652293 317378618 /nfs/dbraw/zinc/37/86/18/317378618.db2.gz HCVLIUJPSCTRRS-UWVGGRQHSA-N 1 1 281.360 1.648 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015776 520172528 /nfs/dbraw/zinc/17/25/28/520172528.db2.gz MIXOFZYNFRSCFV-UHFFFAOYSA-N 1 1 251.286 1.163 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660359 524616062 /nfs/dbraw/zinc/61/60/62/524616062.db2.gz HHXRERKSLXBXAN-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245660359 524616068 /nfs/dbraw/zinc/61/60/68/524616068.db2.gz HHXRERKSLXBXAN-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245660359 524616075 /nfs/dbraw/zinc/61/60/75/524616075.db2.gz HHXRERKSLXBXAN-UWVGGRQHSA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925100 525453639 /nfs/dbraw/zinc/45/36/39/525453639.db2.gz IGVHSGUFTWMDEO-RNCFNFMXSA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925100 525453645 /nfs/dbraw/zinc/45/36/45/525453645.db2.gz IGVHSGUFTWMDEO-RNCFNFMXSA-N 1 1 294.307 1.416 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798970 576963128 /nfs/dbraw/zinc/96/31/28/576963128.db2.gz UWLRMYLMPDPAPL-WDEREUQCSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000749798970 576963129 /nfs/dbraw/zinc/96/31/29/576963129.db2.gz UWLRMYLMPDPAPL-WDEREUQCSA-N 1 1 266.301 1.107 20 5 CDBDMO CC(C)c1nnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000893135786 617402343 /nfs/dbraw/zinc/40/23/43/617402343.db2.gz TWNNJGRWOSHVDQ-UHFFFAOYSA-N 1 1 296.356 1.556 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776591995 617685580 /nfs/dbraw/zinc/68/55/80/617685580.db2.gz NXBQUGCHUYMRAL-RISCZKNCSA-N 1 1 280.324 1.597 20 5 CDBDMO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C[N@H+]1C1CC1 ZINC000892875635 617852779 /nfs/dbraw/zinc/85/27/79/617852779.db2.gz HHEPYFUTWGSHJL-IUCAKERBSA-N 1 1 265.317 1.365 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000893718599 617966411 /nfs/dbraw/zinc/96/64/11/617966411.db2.gz UJKRDEIBLLHPIO-NSHDSACASA-N 1 1 296.323 1.656 20 5 CDBDMO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893007027 618051802 /nfs/dbraw/zinc/05/18/02/618051802.db2.gz FTKAHWIKHSNQMX-FDYHWXHSSA-N 1 1 283.372 1.373 20 5 CDBDMO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CC2)C1 ZINC000893999660 618241658 /nfs/dbraw/zinc/24/16/58/618241658.db2.gz JODJNWXNKVCWAR-SNVBAGLBSA-N 1 1 279.344 1.249 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000895193030 619444791 /nfs/dbraw/zinc/44/47/91/619444791.db2.gz QWUBTRPHAYBQFY-VHSXEESVSA-N 1 1 263.301 1.058 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000895254736 619499095 /nfs/dbraw/zinc/49/90/95/619499095.db2.gz YNKLYLGNPDDEKE-UHFFFAOYSA-N 1 1 293.323 1.456 20 5 CDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000895254736 619499098 /nfs/dbraw/zinc/49/90/98/619499098.db2.gz YNKLYLGNPDDEKE-UHFFFAOYSA-N 1 1 293.323 1.456 20 5 CDBDMO COC(=O)Cc1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895769967 619836293 /nfs/dbraw/zinc/83/62/93/619836293.db2.gz XDNJFHAFUJFTMK-LLVKDONJSA-N 1 1 293.323 1.426 20 5 CDBDMO O=C1CCCN1c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905050183 626386805 /nfs/dbraw/zinc/38/68/05/626386805.db2.gz STBIXRLZGLOEJM-UHFFFAOYSA-N 1 1 263.297 1.180 20 5 CDBDMO Cc1ccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905066490 626613800 /nfs/dbraw/zinc/61/38/00/626613800.db2.gz SAUMNQIEOAKHNE-CYBMUJFWSA-N 1 1 251.330 1.464 20 5 CDBDMO CS(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1Cl ZINC000905232324 626686207 /nfs/dbraw/zinc/68/62/07/626686207.db2.gz NGHKXBPRFCCTEV-UHFFFAOYSA-N 1 1 292.744 1.110 20 5 CDBDMO C[C@H]1CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976042 627064691 /nfs/dbraw/zinc/06/46/91/627064691.db2.gz XNNMNQKVPCMXHS-WDEREUQCSA-N 1 1 266.297 1.429 20 5 CDBDMO C[C@H]1CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976041 627064873 /nfs/dbraw/zinc/06/48/73/627064873.db2.gz XNNMNQKVPCMXHS-QWRGUYRKSA-N 1 1 266.297 1.429 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329771 1162338406 /nfs/dbraw/zinc/33/84/06/1162338406.db2.gz UCAOFXHAQCPGSH-WZRBSPASSA-N 1 1 294.351 1.990 20 5 CDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cccnc1[N+](=O)[O-] ZINC001170516806 1162729203 /nfs/dbraw/zinc/72/92/03/1162729203.db2.gz YTSBAIWVVTVCPO-UHFFFAOYSA-N 1 1 292.295 1.212 20 5 CDBDMO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)OCc1ccccc1 ZINC001168966807 1161996180 /nfs/dbraw/zinc/99/61/80/1161996180.db2.gz LGGGGFCPJJTWNH-ZIAGYGMSSA-N 1 1 292.335 1.765 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000247115054 1181025836 /nfs/dbraw/zinc/02/58/36/1181025836.db2.gz ZOOXHNJXRCEAPQ-WDEREUQCSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000247115054 1181025847 /nfs/dbraw/zinc/02/58/47/1181025847.db2.gz ZOOXHNJXRCEAPQ-WDEREUQCSA-N 1 1 266.301 1.250 20 5 CDBDMO CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001755280724 1185887657 /nfs/dbraw/zinc/88/76/57/1185887657.db2.gz OAISSPWZYOGOOC-CHWSQXEVSA-N 1 1 297.399 1.526 20 5 CDBDMO Cc1c(CN[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000168873297 818278446 /nfs/dbraw/zinc/27/84/46/818278446.db2.gz BYXDJHFIQFAFSY-JTQLQIEISA-N 1 1 251.330 1.943 20 5 CDBDMO CC(C)CN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867948520 818606614 /nfs/dbraw/zinc/60/66/14/818606614.db2.gz YACDURWMWAIDTB-CQSZACIVSA-N 1 1 279.340 1.883 20 5 CDBDMO CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000308301167 818673251 /nfs/dbraw/zinc/67/32/51/818673251.db2.gz MAUXERAGBJWFSL-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000308301167 818673256 /nfs/dbraw/zinc/67/32/56/818673256.db2.gz MAUXERAGBJWFSL-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000882961211 818725723 /nfs/dbraw/zinc/72/57/23/818725723.db2.gz IEHUFDRFZKKNNI-SNVBAGLBSA-N 1 1 275.312 1.749 20 5 CDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000831873504 818832736 /nfs/dbraw/zinc/83/27/36/818832736.db2.gz VNDYLRXXBOKZDM-FUNVUKJBSA-N 1 1 297.399 1.906 20 5 CDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000808133840 819019121 /nfs/dbraw/zinc/01/91/21/819019121.db2.gz UWKJULBIVYCXHC-UHFFFAOYSA-N 1 1 294.399 1.915 20 5 CDBDMO CN(CCCN(C)c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000808133840 819019127 /nfs/dbraw/zinc/01/91/27/819019127.db2.gz UWKJULBIVYCXHC-UHFFFAOYSA-N 1 1 294.399 1.915 20 5 CDBDMO CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839762651 819094163 /nfs/dbraw/zinc/09/41/63/819094163.db2.gz FBPZRPJTHJMYTA-IRCOFANPSA-N 1 1 295.339 1.490 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000809981309 819094866 /nfs/dbraw/zinc/09/48/66/819094866.db2.gz GQYHCFXXADRCAF-VNHYZAJKSA-N 1 1 290.319 1.824 20 5 CDBDMO CC[NH2+][C@@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000863675810 819220802 /nfs/dbraw/zinc/22/08/02/819220802.db2.gz ZOSGVGGGDGOGCA-QMMMGPOBSA-N 1 1 256.306 1.728 20 5 CDBDMO Cn1c[nH+]cc1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804608047 819339486 /nfs/dbraw/zinc/33/94/86/819339486.db2.gz ACMAFORLWQUBAC-UHFFFAOYSA-N 1 1 291.267 1.891 20 5 CDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000923316558 819673454 /nfs/dbraw/zinc/67/34/54/819673454.db2.gz VZPUFRJUXBJYMS-GXTWGEPZSA-N 1 1 289.335 1.904 20 5 CDBDMO O=[N+]([O-])CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000930077776 819710538 /nfs/dbraw/zinc/71/05/38/819710538.db2.gz GXJYUEUKFWRUMR-UHFFFAOYSA-N 1 1 269.389 1.851 20 5 CDBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(N)cc1[N+](=O)[O-] ZINC000817131871 819833773 /nfs/dbraw/zinc/83/37/73/819833773.db2.gz SXTSAZLLYZJHSZ-LLVKDONJSA-N 1 1 264.329 1.707 20 5 CDBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)CCO ZINC000884824571 819881789 /nfs/dbraw/zinc/88/17/89/819881789.db2.gz BFMVXCFRACEYMR-UHFFFAOYSA-N 1 1 283.328 1.077 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCCCC[N@@H+](C)C1CC1 ZINC000894140200 821005019 /nfs/dbraw/zinc/00/50/19/821005019.db2.gz AJJRLAMZXVBXFA-UHFFFAOYSA-N 1 1 267.333 1.615 20 5 CDBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092358 821218504 /nfs/dbraw/zinc/21/85/04/821218504.db2.gz DPIBLAOQGUVLHU-QMTHXVAHSA-N 1 1 280.324 1.473 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000882490689 821228586 /nfs/dbraw/zinc/22/85/86/821228586.db2.gz UDEFQXPWOMVJSY-SNVBAGLBSA-N 1 1 292.339 1.461 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000840126538 821341186 /nfs/dbraw/zinc/34/11/86/821341186.db2.gz PNOQEBYELSNRHW-JOYOIKCWSA-N 1 1 282.344 1.722 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000840126538 821341196 /nfs/dbraw/zinc/34/11/96/821341196.db2.gz PNOQEBYELSNRHW-JOYOIKCWSA-N 1 1 282.344 1.722 20 5 CDBDMO CO[C@@H]1C[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144399 821319315 /nfs/dbraw/zinc/31/93/15/821319315.db2.gz YVRUWSVKZVMIDI-NWDGAFQWSA-N 1 1 280.328 1.638 20 5 CDBDMO CO[C@@H]1C[C@H]([N@@H+](C)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000840144399 821319324 /nfs/dbraw/zinc/31/93/24/821319324.db2.gz YVRUWSVKZVMIDI-NWDGAFQWSA-N 1 1 280.328 1.638 20 5 CDBDMO CCc1[nH]nc(C(=O)OCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000795613553 821547880 /nfs/dbraw/zinc/54/78/80/821547880.db2.gz YWDBEXRDSRYXNZ-UHFFFAOYSA-N 1 1 293.283 1.242 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828840137 821805308 /nfs/dbraw/zinc/80/53/08/821805308.db2.gz LLHZBKDNDUYMSL-LLVKDONJSA-N 1 1 271.361 1.422 20 5 CDBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880308564 822254622 /nfs/dbraw/zinc/25/46/22/822254622.db2.gz JVHZQYOHKWAMPZ-TXEJJXNPSA-N 1 1 295.364 1.566 20 5 CDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880308564 822254650 /nfs/dbraw/zinc/25/46/50/822254650.db2.gz JVHZQYOHKWAMPZ-TXEJJXNPSA-N 1 1 295.364 1.566 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000886311780 822371207 /nfs/dbraw/zinc/37/12/07/822371207.db2.gz HJGSJNIGALLEOG-LLVKDONJSA-N 1 1 273.296 1.811 20 5 CDBDMO O=[N+]([O-])CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000791052765 822427183 /nfs/dbraw/zinc/42/71/83/822427183.db2.gz BYGRBLGPQVPHHE-UHFFFAOYSA-N 1 1 281.331 1.610 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000776578085 822646507 /nfs/dbraw/zinc/64/65/07/822646507.db2.gz DGBMBZPQSGZUPQ-OLZOCXBDSA-N 1 1 266.297 1.085 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001173225043 912314053 /nfs/dbraw/zinc/31/40/53/912314053.db2.gz BDJNBCKMCZHNRM-BXUZGUMPSA-N 1 1 291.351 1.866 20 5 CDBDMO COc1ccnc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001167270208 895009497 /nfs/dbraw/zinc/00/94/97/895009497.db2.gz NQRWVLWSWGYQTG-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001167753117 900031066 /nfs/dbraw/zinc/03/10/66/900031066.db2.gz KTLXYCNNMBECRC-GFCCVEGCSA-N 1 1 294.355 1.905 20 5 CDBDMO C[N@@H+]1CCO[C@@H](COCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222790765 900457507 /nfs/dbraw/zinc/45/75/07/900457507.db2.gz BMLXYEREVBFBCE-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO C[N@H+]1CCO[C@@H](COCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222790765 900457516 /nfs/dbraw/zinc/45/75/16/900457516.db2.gz BMLXYEREVBFBCE-CYBMUJFWSA-N 1 1 266.297 1.442 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225977161 904535280 /nfs/dbraw/zinc/53/52/80/904535280.db2.gz GXZSOUPYVVGNMK-SSDOTTSWSA-O 1 1 280.270 1.675 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000928562039 905594290 /nfs/dbraw/zinc/59/42/90/905594290.db2.gz CPGZEUMWEDIGPK-CYBMUJFWSA-N 1 1 277.324 1.348 20 5 CDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712254581 924004577 /nfs/dbraw/zinc/00/45/77/924004577.db2.gz JKQRTUUSQIESTN-LJWDBELGSA-N 1 1 280.299 1.937 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839547337 936915226 /nfs/dbraw/zinc/91/52/26/936915226.db2.gz RDMSGMRZYVNBCC-XVIXHAIJSA-N 1 1 295.383 1.515 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547337 936915228 /nfs/dbraw/zinc/91/52/28/936915228.db2.gz RDMSGMRZYVNBCC-XVIXHAIJSA-N 1 1 295.383 1.515 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839547337 936915231 /nfs/dbraw/zinc/91/52/31/936915231.db2.gz RDMSGMRZYVNBCC-XVIXHAIJSA-N 1 1 295.383 1.515 20 5 CDBDMO CC[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843192142 937120659 /nfs/dbraw/zinc/12/06/59/937120659.db2.gz RPXYOSVOWWTLJL-UHFFFAOYSA-N 1 1 276.296 1.987 20 5 CDBDMO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963975 927587507 /nfs/dbraw/zinc/58/75/07/927587507.db2.gz RBPOMRRUNXDEIP-AXFHLTTASA-N 1 1 258.318 1.362 20 5 CDBDMO COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169010249 927613721 /nfs/dbraw/zinc/61/37/21/927613721.db2.gz BSRCZECEYYJWGV-YVECIDJPSA-N 1 1 284.356 1.705 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010547 927617355 /nfs/dbraw/zinc/61/73/55/927617355.db2.gz DKLGIDINDVVMKF-MCIONIFRSA-N 1 1 270.373 1.916 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3ncsc3C2)C1 ZINC001169033306 927641068 /nfs/dbraw/zinc/64/10/68/927641068.db2.gz BSXMGTCTBLXWOB-VHSXEESVSA-N 1 1 267.354 1.947 20 5 CDBDMO CCO[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018989 927659600 /nfs/dbraw/zinc/65/96/00/927659600.db2.gz FXPSPRKGOYIIRF-KHMAMNHCSA-N 1 1 298.383 1.700 20 5 CDBDMO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022502 927663099 /nfs/dbraw/zinc/66/30/99/927663099.db2.gz CGXXPHYYXHTQKG-YNEHKIRRSA-N 1 1 255.362 1.458 20 5 CDBDMO C[NH+](C)[C@@H]1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022502 927663105 /nfs/dbraw/zinc/66/31/05/927663105.db2.gz CGXXPHYYXHTQKG-YNEHKIRRSA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169047566 927665460 /nfs/dbraw/zinc/66/54/60/927665460.db2.gz RKBMBKTZWCEEKM-SOUVJXGZSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001169047566 927665467 /nfs/dbraw/zinc/66/54/67/927665467.db2.gz RKBMBKTZWCEEKM-SOUVJXGZSA-N 1 1 281.400 1.992 20 5 CDBDMO CC[N@@H+](CCn1ccnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049145 927666330 /nfs/dbraw/zinc/66/63/30/927666330.db2.gz VZXDBLBSXXZPKE-STQMWFEESA-N 1 1 266.345 1.650 20 5 CDBDMO CC[N@@H+](CCn1ccnc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049142 927666992 /nfs/dbraw/zinc/66/69/92/927666992.db2.gz VZXDBLBSXXZPKE-CHWSQXEVSA-N 1 1 266.345 1.650 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169052497 927668812 /nfs/dbraw/zinc/66/88/12/927668812.db2.gz GGJKJQQHOUOVLM-XQQFMLRXSA-N 1 1 284.356 1.707 20 5 CDBDMO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169050649 927670147 /nfs/dbraw/zinc/67/01/47/927670147.db2.gz CCWINVLXRIEISI-YVECIDJPSA-N 1 1 256.346 1.931 20 5 CDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169055321 927673029 /nfs/dbraw/zinc/67/30/29/927673029.db2.gz PLIIIHOWGQFOJV-XQQFMLRXSA-N 1 1 298.387 1.167 20 5 CDBDMO C[NH2+][C@H]1CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001156649526 928886958 /nfs/dbraw/zinc/88/69/58/928886958.db2.gz XQZYQWRQDSXXSX-GFCCVEGCSA-N 1 1 289.295 1.302 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204939 929340417 /nfs/dbraw/zinc/34/04/17/929340417.db2.gz GOGQGUKKFOJYNP-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787204939 929340430 /nfs/dbraw/zinc/34/04/30/929340430.db2.gz GOGQGUKKFOJYNP-UWVGGRQHSA-N 1 1 292.339 1.342 20 5 CDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882479761 930011536 /nfs/dbraw/zinc/01/15/36/930011536.db2.gz FGZKFRZUDGZSBN-GFCCVEGCSA-N 1 1 277.324 1.348 20 5 CDBDMO CC[N@H+](CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350440 930459767 /nfs/dbraw/zinc/45/97/67/930459767.db2.gz BNTQVPDRWCYJIQ-OAHLLOKOSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[N@@H+](CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000218350440 930459773 /nfs/dbraw/zinc/45/97/73/930459773.db2.gz BNTQVPDRWCYJIQ-OAHLLOKOSA-N 1 1 293.367 1.702 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001159743210 930781982 /nfs/dbraw/zinc/78/19/82/930781982.db2.gz GWLDGOWAXHECJG-ZDUSSCGKSA-N 1 1 276.296 1.612 20 5 CDBDMO CCN(C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1)CC(F)(F)F ZINC000929781876 933269068 /nfs/dbraw/zinc/26/90/68/933269068.db2.gz QWAQRDNFILJLEJ-SNVBAGLBSA-N 1 1 283.294 1.469 20 5 CDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC001155894917 937686494 /nfs/dbraw/zinc/68/64/94/937686494.db2.gz ZQCIQKVMNRRQCG-RKDXNWHRSA-N 1 1 295.343 1.093 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@@H]21 ZINC001119969165 937769015 /nfs/dbraw/zinc/76/90/15/937769015.db2.gz OYJFDZRJKBTWCZ-KCJUWKMLSA-N 1 1 289.295 1.271 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779867727 934754492 /nfs/dbraw/zinc/75/44/92/934754492.db2.gz NOXNSLATTSZVKN-CYBMUJFWSA-N 1 1 294.355 1.806 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000779867727 934754495 /nfs/dbraw/zinc/75/44/95/934754495.db2.gz NOXNSLATTSZVKN-CYBMUJFWSA-N 1 1 294.355 1.806 20 5 CDBDMO C[NH+]1CCN(C(=N)Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001157910807 938561364 /nfs/dbraw/zinc/56/13/64/938561364.db2.gz RGGSPVCMOFNRBF-UHFFFAOYSA-N 1 1 298.734 1.237 20 5 CDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001159743001 938748723 /nfs/dbraw/zinc/74/87/23/938748723.db2.gz BIOLVDXANGTSEC-JTQLQIEISA-N 1 1 274.708 1.421 20 5 CDBDMO CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090699 938768548 /nfs/dbraw/zinc/76/85/48/938768548.db2.gz NRNUSRQDQADRKC-CHWSQXEVSA-N 1 1 281.356 1.200 20 5 CDBDMO CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090699 938768553 /nfs/dbraw/zinc/76/85/53/938768553.db2.gz NRNUSRQDQADRKC-CHWSQXEVSA-N 1 1 281.356 1.200 20 5 CDBDMO CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090699 938768559 /nfs/dbraw/zinc/76/85/59/938768559.db2.gz NRNUSRQDQADRKC-CHWSQXEVSA-N 1 1 281.356 1.200 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCNc1cccc([N+](=O)[O-])n1 ZINC001160966749 938852091 /nfs/dbraw/zinc/85/20/91/938852091.db2.gz YTBDPQCRRPTDGW-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO COc1ncnc(NC2C[NH+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001162221470 938963816 /nfs/dbraw/zinc/96/38/16/938963816.db2.gz NSJNLRVHJLUACE-UHFFFAOYSA-N 1 1 281.316 1.288 20 5 CDBDMO C[N@@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001162688510 939118241 /nfs/dbraw/zinc/11/82/41/939118241.db2.gz QAEZCGZRHSXHNL-LBPRGKRZSA-N 1 1 290.323 1.819 20 5 CDBDMO C[N@H+]1CCO[C@@H](CNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001162688510 939118243 /nfs/dbraw/zinc/11/82/43/939118243.db2.gz QAEZCGZRHSXHNL-LBPRGKRZSA-N 1 1 290.323 1.819 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046100 942120613 /nfs/dbraw/zinc/12/06/13/942120613.db2.gz FBKFHFAQJFWWEY-LLVKDONJSA-N 1 1 294.307 1.854 20 5 CDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2[nH]ccc21 ZINC001227271355 942161694 /nfs/dbraw/zinc/16/16/94/942161694.db2.gz UNMIETWUDQWEOU-MRVPVSSYSA-O 1 1 251.310 1.137 20 5 CDBDMO CC[NH+](CC)C[C@H](C)Oc1[nH]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227693143 942205448 /nfs/dbraw/zinc/20/54/48/942205448.db2.gz MEZPYAMTDJOKAA-VIFPVBQESA-N 1 1 293.327 1.975 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715493 942211111 /nfs/dbraw/zinc/21/11/11/942211111.db2.gz BEZVYMFACKSMCN-DTWKUNHWSA-O 1 1 268.337 1.247 20 5 CDBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001228974958 942401830 /nfs/dbraw/zinc/40/18/30/942401830.db2.gz WEPKSUXHFPSNSN-SNVBAGLBSA-N 1 1 264.281 1.880 20 5 CDBDMO CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001228974958 942401833 /nfs/dbraw/zinc/40/18/33/942401833.db2.gz WEPKSUXHFPSNSN-SNVBAGLBSA-N 1 1 264.281 1.880 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044414 942411890 /nfs/dbraw/zinc/41/18/90/942411890.db2.gz HBQNSQGSQLIIOX-SNVBAGLBSA-N 1 1 294.307 1.854 20 5 CDBDMO [NH2+]=C(NO)c1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1F ZINC001229082736 942415113 /nfs/dbraw/zinc/41/51/13/942415113.db2.gz HWTRCMMMJOYUAI-NSHDSACASA-N 1 1 283.259 1.564 20 5 CDBDMO Cc1nc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382333 942461575 /nfs/dbraw/zinc/46/15/75/942461575.db2.gz RWNZISPCTQTKDW-SNVBAGLBSA-N 1 1 296.327 1.650 20 5 CDBDMO Cc1nc(O[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382333 942461577 /nfs/dbraw/zinc/46/15/77/942461577.db2.gz RWNZISPCTQTKDW-SNVBAGLBSA-N 1 1 296.327 1.650 20 5 CDBDMO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001262654011 943658453 /nfs/dbraw/zinc/65/84/53/943658453.db2.gz VZLHCCMFZSYWKI-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001262654011 943658456 /nfs/dbraw/zinc/65/84/56/943658456.db2.gz VZLHCCMFZSYWKI-SECBINFHSA-N 1 1 283.353 1.870 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233857641 943674512 /nfs/dbraw/zinc/67/45/12/943674512.db2.gz OFWVNKUSIROACI-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233857641 943674516 /nfs/dbraw/zinc/67/45/16/943674516.db2.gz OFWVNKUSIROACI-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1=O ZINC001246295640 948087621 /nfs/dbraw/zinc/08/76/21/948087621.db2.gz URCCWINXHHNVQC-GWCFXTLKSA-N 1 1 277.324 1.046 20 5 CDBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001324731684 953549715 /nfs/dbraw/zinc/54/97/15/953549715.db2.gz MJGJATIJZZHNMF-NSHDSACASA-N 1 1 270.333 1.273 20 5 CDBDMO Cc1nc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001329741857 956093344 /nfs/dbraw/zinc/09/33/44/956093344.db2.gz YFVDQGHPSIWBFJ-MNOVXSKESA-N 1 1 277.328 1.081 20 5 CDBDMO CO[C@]1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615262 956517175 /nfs/dbraw/zinc/51/71/75/956517175.db2.gz MPHVWKLZTPRQSH-AWEZNQCLSA-N 1 1 278.308 1.716 20 5 CDBDMO CO[C@]1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCOC1 ZINC001330615262 956517188 /nfs/dbraw/zinc/51/71/88/956517188.db2.gz MPHVWKLZTPRQSH-AWEZNQCLSA-N 1 1 278.308 1.716 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745042 960535334 /nfs/dbraw/zinc/53/53/34/960535334.db2.gz LNPHJURYDMTCDQ-LLVKDONJSA-N 1 1 271.361 1.422 20 5 CDBDMO C[N@@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762541 960555751 /nfs/dbraw/zinc/55/57/51/960555751.db2.gz CSYASJNPVMCGHG-BXUZGUMPSA-N 1 1 279.340 1.170 20 5 CDBDMO C[N@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762541 960555766 /nfs/dbraw/zinc/55/57/66/960555766.db2.gz CSYASJNPVMCGHG-BXUZGUMPSA-N 1 1 279.340 1.170 20 5 CDBDMO Cc1nn(CN2CC[N@H+](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC001337169756 960990347 /nfs/dbraw/zinc/99/03/47/960990347.db2.gz PMNPZOKSLPWGDS-UHFFFAOYSA-N 1 1 281.360 1.392 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001346025872 964891145 /nfs/dbraw/zinc/89/11/45/964891145.db2.gz CHRFFWRPFXVDGK-NEPJUHHUSA-N 1 1 276.340 1.759 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601016290 342458165 /nfs/dbraw/zinc/45/81/65/342458165.db2.gz JHPIFKBIFIVROM-VIFPVBQESA-N 1 1 293.298 1.700 20 5 CDBDMO Cn1c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000600310091 342060961 /nfs/dbraw/zinc/06/09/61/342060961.db2.gz FXUIBRHHKUGVMR-LLVKDONJSA-N 1 1 294.355 1.395 20 5 CDBDMO C[C@@H]1CC2(C[N@H+]1CCn1ccc([N+](=O)[O-])n1)CCOCC2 ZINC000592184013 342679841 /nfs/dbraw/zinc/67/98/41/342679841.db2.gz WZFHPVRHKKJDEU-GFCCVEGCSA-N 1 1 294.355 1.682 20 5 CDBDMO C[C@@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593107981 342768836 /nfs/dbraw/zinc/76/88/36/342768836.db2.gz RZILJLJGFJYFLF-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593107981 342768837 /nfs/dbraw/zinc/76/88/37/342768837.db2.gz RZILJLJGFJYFLF-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000170856064 361907925 /nfs/dbraw/zinc/90/79/25/361907925.db2.gz YVGWMXUNTQAXBW-SECBINFHSA-N 1 1 296.302 1.140 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533819053 282153174 /nfs/dbraw/zinc/15/31/74/282153174.db2.gz JYHDANNJEFKNFR-LBPRGKRZSA-N 1 1 287.323 1.927 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533819053 282153176 /nfs/dbraw/zinc/15/31/76/282153176.db2.gz JYHDANNJEFKNFR-LBPRGKRZSA-N 1 1 287.323 1.927 20 5 CDBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066364 342870252 /nfs/dbraw/zinc/87/02/52/342870252.db2.gz WGGHBSVRYCVOAU-SNVBAGLBSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066364 342870253 /nfs/dbraw/zinc/87/02/53/342870253.db2.gz WGGHBSVRYCVOAU-SNVBAGLBSA-N 1 1 293.323 1.379 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COCCN1 ZINC000600677056 342241921 /nfs/dbraw/zinc/24/19/21/342241921.db2.gz AWABPRRRWZVFAW-GFCCVEGCSA-N 1 1 295.339 1.072 20 5 CDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417707 342902871 /nfs/dbraw/zinc/90/28/71/342902871.db2.gz FENLUEFNKXDNAH-KOLCDFICSA-N 1 1 293.327 1.065 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CNC(=O)C1 ZINC000595477971 343064824 /nfs/dbraw/zinc/06/48/24/343064824.db2.gz WWAREIZPLBCTGL-LBPRGKRZSA-N 1 1 277.324 1.205 20 5 CDBDMO Cc1nn(C)c(NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000077995662 342332890 /nfs/dbraw/zinc/33/28/90/342332890.db2.gz JSIWKSOJULBJJO-SNVBAGLBSA-N 1 1 297.359 1.017 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC[N@H+]1C ZINC000436918728 362124729 /nfs/dbraw/zinc/12/47/29/362124729.db2.gz JSTLVZCHRLITNW-SKDRFNHKSA-N 1 1 293.323 1.513 20 5 CDBDMO O=c1[nH]ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079351 343227186 /nfs/dbraw/zinc/22/71/86/343227186.db2.gz OYTVJCIYESPRAJ-SECBINFHSA-N 1 1 278.312 1.592 20 5 CDBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298618 343291802 /nfs/dbraw/zinc/29/18/02/343291802.db2.gz YXEIUGGHOIVMCL-NWDGAFQWSA-N 1 1 291.355 1.423 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc1 ZINC000596557290 343342456 /nfs/dbraw/zinc/34/24/56/343342456.db2.gz GHUOBHCVHHIYLC-ZDUSSCGKSA-N 1 1 299.334 1.493 20 5 CDBDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090884567 342398017 /nfs/dbraw/zinc/39/80/17/342398017.db2.gz ZPUDJYAQJFJHIA-YGRLFVJLSA-N 1 1 290.323 1.713 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645361 343855559 /nfs/dbraw/zinc/85/55/59/343855559.db2.gz HVSCVSQZSSQVSA-QWHCGFSZSA-N 1 1 294.351 1.924 20 5 CDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000264370086 365800453 /nfs/dbraw/zinc/80/04/53/365800453.db2.gz WQTZKFIWHRWIFD-RYUDHWBXSA-N 1 1 294.355 1.271 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCCO1 ZINC000602761863 344583368 /nfs/dbraw/zinc/58/33/68/344583368.db2.gz BMERCZWFZXULIW-GFCCVEGCSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000602831482 344614391 /nfs/dbraw/zinc/61/43/91/344614391.db2.gz IIWMPLSRJOFGFK-CYBMUJFWSA-N 1 1 295.387 1.372 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000602831482 344614393 /nfs/dbraw/zinc/61/43/93/344614393.db2.gz IIWMPLSRJOFGFK-CYBMUJFWSA-N 1 1 295.387 1.372 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000602831482 344614395 /nfs/dbraw/zinc/61/43/95/344614395.db2.gz IIWMPLSRJOFGFK-CYBMUJFWSA-N 1 1 295.387 1.372 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602898725 344653687 /nfs/dbraw/zinc/65/36/87/344653687.db2.gz MZYZVNXCBGBPTJ-YPMHNXCESA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602898725 344653688 /nfs/dbraw/zinc/65/36/88/344653688.db2.gz MZYZVNXCBGBPTJ-YPMHNXCESA-N 1 1 284.287 1.052 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602981598 344674008 /nfs/dbraw/zinc/67/40/08/344674008.db2.gz GOLMJJDOJPZFJJ-GFCCVEGCSA-N 1 1 268.317 1.028 20 5 CDBDMO Cc1c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000602907221 344644367 /nfs/dbraw/zinc/64/43/67/344644367.db2.gz LIWAEOXVWWBBSS-OCCSQVGLSA-N 1 1 280.324 1.221 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000603706524 344827612 /nfs/dbraw/zinc/82/76/12/344827612.db2.gz QOHSMMVIEOYFHM-WDEREUQCSA-N 1 1 292.339 1.290 20 5 CDBDMO COCCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265570 346726872 /nfs/dbraw/zinc/72/68/72/346726872.db2.gz FSTKRMFTWCCUHO-UHFFFAOYSA-N 1 1 296.323 1.834 20 5 CDBDMO Cc1cnc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000611299104 346740902 /nfs/dbraw/zinc/74/09/02/346740902.db2.gz OAHJPMUUPFPWNU-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266093364 362939298 /nfs/dbraw/zinc/93/92/98/362939298.db2.gz JBKOWCCJEVDAKU-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000110652168 186311527 /nfs/dbraw/zinc/31/15/27/186311527.db2.gz BFCAHLCZGMXSQX-JTQLQIEISA-N 1 1 293.323 1.285 20 5 CDBDMO 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ZINC000351477538 375301366 /nfs/dbraw/zinc/30/13/66/375301366.db2.gz NLTDELJABWIZAK-TUKIKUTGSA-N 1 1 291.351 1.643 20 5 CDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351828638 375334016 /nfs/dbraw/zinc/33/40/16/375334016.db2.gz OXJOECHALZOOFM-VIFPVBQESA-N 1 1 284.287 1.975 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351828638 375334020 /nfs/dbraw/zinc/33/40/20/375334020.db2.gz OXJOECHALZOOFM-VIFPVBQESA-N 1 1 284.287 1.975 20 5 CDBDMO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000351938038 375342676 /nfs/dbraw/zinc/34/26/76/375342676.db2.gz WTNIJYUSUPFNAK-OLZOCXBDSA-N 1 1 293.367 1.998 20 5 CDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CO ZINC000227196490 375462168 /nfs/dbraw/zinc/46/21/68/375462168.db2.gz NBERYAKNGLFGIG-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1CO ZINC000227196490 375462173 /nfs/dbraw/zinc/46/21/73/375462173.db2.gz NBERYAKNGLFGIG-TVQRCGJNSA-N 1 1 295.295 1.706 20 5 CDBDMO C[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000163178628 375628674 /nfs/dbraw/zinc/62/86/74/375628674.db2.gz GTWHVFOFXRDFDN-VIFPVBQESA-N 1 1 282.296 1.274 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000163178628 375628682 /nfs/dbraw/zinc/62/86/82/375628682.db2.gz GTWHVFOFXRDFDN-VIFPVBQESA-N 1 1 282.296 1.274 20 5 CDBDMO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959156 /nfs/dbraw/zinc/95/91/56/375959156.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 1 1 279.340 1.312 20 5 CDBDMO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959161 /nfs/dbraw/zinc/95/91/61/375959161.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 1 1 279.340 1.312 20 5 CDBDMO Cc1ccc2[nH+]c(Cn3cccc([N+](=O)[O-])c3=O)cn2c1 ZINC000171415561 376592575 /nfs/dbraw/zinc/59/25/75/376592575.db2.gz CYEGIADGEUQRTQ-UHFFFAOYSA-N 1 1 284.275 1.761 20 5 CDBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583457 378669282 /nfs/dbraw/zinc/66/92/82/378669282.db2.gz GGBFAOMMHQROCV-JQWIXIFHSA-N 1 1 294.311 1.438 20 5 CDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000173577459 378645423 /nfs/dbraw/zinc/64/54/23/378645423.db2.gz YOZVUXOEZUKSHK-LLVKDONJSA-N 1 1 296.323 1.439 20 5 CDBDMO CCc1ccc(C(=O)NCC[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000174232083 379398637 /nfs/dbraw/zinc/39/86/37/379398637.db2.gz JDWPOPAPYOKSJV-UHFFFAOYSA-N 1 1 279.340 1.839 20 5 CDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000174699419 379555708 /nfs/dbraw/zinc/55/57/08/379555708.db2.gz VQLSQJJIZFDSNX-GFCCVEGCSA-N 1 1 268.317 1.027 20 5 CDBDMO Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435726 251282134 /nfs/dbraw/zinc/28/21/34/251282134.db2.gz IDSXQOUFLKRVNY-VHSXEESVSA-N 1 1 265.317 1.588 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452572891 252099464 /nfs/dbraw/zinc/09/94/64/252099464.db2.gz LBWNESAKAWZVMN-COPLHBTASA-N 1 1 291.351 1.970 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1CCOCC1)CC2 ZINC000332614677 285142148 /nfs/dbraw/zinc/14/21/48/285142148.db2.gz PRZVCUDNZDOVPK-UHFFFAOYSA-N 1 1 291.351 1.285 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1CCOCC1)CC2 ZINC000332614677 285142149 /nfs/dbraw/zinc/14/21/49/285142149.db2.gz PRZVCUDNZDOVPK-UHFFFAOYSA-N 1 1 291.351 1.285 20 5 CDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1C ZINC000288458098 197084625 /nfs/dbraw/zinc/08/46/25/197084625.db2.gz UCGXWXWMOAEAFM-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000336954062 390417981 /nfs/dbraw/zinc/41/79/81/390417981.db2.gz SWKVINAHPHBBCC-VIFPVBQESA-N 1 1 270.358 1.828 20 5 CDBDMO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000336954062 390417985 /nfs/dbraw/zinc/41/79/85/390417985.db2.gz SWKVINAHPHBBCC-VIFPVBQESA-N 1 1 270.358 1.828 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074973 390624031 /nfs/dbraw/zinc/62/40/31/390624031.db2.gz XZGZGWFWEITQEL-IUCAKERBSA-N 1 1 283.353 1.821 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000408074973 390624033 /nfs/dbraw/zinc/62/40/33/390624033.db2.gz XZGZGWFWEITQEL-IUCAKERBSA-N 1 1 283.353 1.821 20 5 CDBDMO COC[C@@]1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202783 390604901 /nfs/dbraw/zinc/60/49/01/390604901.db2.gz PPNLVTVGVJDKDF-LBPRGKRZSA-N 1 1 268.317 1.150 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC3(CCCC3)C2)n1 ZINC000158342385 390682167 /nfs/dbraw/zinc/68/21/67/390682167.db2.gz SMSQJBXEOGIVSB-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC3(CCCC3)C2)n1 ZINC000158342385 390682169 /nfs/dbraw/zinc/68/21/69/390682169.db2.gz SMSQJBXEOGIVSB-UHFFFAOYSA-N 1 1 280.328 1.436 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248345447 390935205 /nfs/dbraw/zinc/93/52/05/390935205.db2.gz MTZHGOQGAVEWSM-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(O)C1 ZINC000248345447 390935206 /nfs/dbraw/zinc/93/52/06/390935206.db2.gz MTZHGOQGAVEWSM-HZMBPMFUSA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000346672155 391118567 /nfs/dbraw/zinc/11/85/67/391118567.db2.gz TUOLEKHFPMKAQW-RKDXNWHRSA-N 1 1 297.742 1.801 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891156 391483723 /nfs/dbraw/zinc/48/37/23/391483723.db2.gz AZHGJHIJSSFLIN-VHSXEESVSA-N 1 1 282.369 1.972 20 5 CDBDMO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000487122177 391991382 /nfs/dbraw/zinc/99/13/82/391991382.db2.gz UVRNWOIBALKVBU-LLVKDONJSA-N 1 1 265.317 1.161 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000263789647 131331428 /nfs/dbraw/zinc/33/14/28/131331428.db2.gz WZBDJJUXJUPQKS-UHFFFAOYSA-N 1 1 283.353 1.870 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273227361 392718458 /nfs/dbraw/zinc/71/84/58/392718458.db2.gz WFCKVTDCLIRVGT-NSHDSACASA-N 1 1 279.344 1.553 20 5 CDBDMO Cc1c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719863 392918170 /nfs/dbraw/zinc/91/81/70/392918170.db2.gz NQURVYQCBRRUOQ-NSHDSACASA-N 1 1 291.351 1.975 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000429793164 393087320 /nfs/dbraw/zinc/08/73/20/393087320.db2.gz VHUKCJQMKUIVGC-NEPJUHHUSA-N 1 1 295.387 1.490 20 5 CDBDMO C[C@](CN)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430594332 393103331 /nfs/dbraw/zinc/10/33/31/393103331.db2.gz VIUDWOLLPLLADL-CQSZACIVSA-N 1 1 279.340 1.691 20 5 CDBDMO C[C@](C[NH3+])(NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430594332 393103335 /nfs/dbraw/zinc/10/33/35/393103335.db2.gz VIUDWOLLPLLADL-CQSZACIVSA-N 1 1 279.340 1.691 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280805073 393152125 /nfs/dbraw/zinc/15/21/25/393152125.db2.gz SMGMEHRUQAKZJX-YGRLFVJLSA-N 1 1 277.324 1.853 20 5 CDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230012621 140206243 /nfs/dbraw/zinc/20/62/43/140206243.db2.gz BUAPISBLKRHLET-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000230012621 140206245 /nfs/dbraw/zinc/20/62/45/140206245.db2.gz BUAPISBLKRHLET-RISCZKNCSA-N 1 1 280.324 1.219 20 5 CDBDMO COc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000312856183 149239703 /nfs/dbraw/zinc/23/97/03/149239703.db2.gz PULRLPREAIPOKW-GFCCVEGCSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352221440 155034577 /nfs/dbraw/zinc/03/45/77/155034577.db2.gz MCNZJIZYAOAKQF-GHMZBOCLSA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000359025480 158102649 /nfs/dbraw/zinc/10/26/49/158102649.db2.gz DXNQQXMEQRFYBJ-VHSXEESVSA-N 1 1 293.327 1.016 20 5 CDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000359059623 158114863 /nfs/dbraw/zinc/11/48/63/158114863.db2.gz HCOCCCWMZOXAJS-JTQLQIEISA-N 1 1 292.339 1.670 20 5 CDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362098569 159071556 /nfs/dbraw/zinc/07/15/56/159071556.db2.gz QTUNZEVQNFGVEQ-GHMZBOCLSA-N 1 1 293.323 1.094 20 5 CDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362098569 159071558 /nfs/dbraw/zinc/07/15/58/159071558.db2.gz QTUNZEVQNFGVEQ-GHMZBOCLSA-N 1 1 293.323 1.094 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000362560418 159180059 /nfs/dbraw/zinc/18/00/59/159180059.db2.gz HIQHUSSJSAISGZ-LLVKDONJSA-N 1 1 281.360 1.718 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595465 159190161 /nfs/dbraw/zinc/19/01/61/159190161.db2.gz CYVZXZIQJAKPAY-SMDDNHRTSA-N 1 1 291.351 1.451 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000371900386 160060548 /nfs/dbraw/zinc/06/05/48/160060548.db2.gz XUMOQCIBCXKJJS-UHFFFAOYSA-N 1 1 280.328 1.294 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960751 170309913 /nfs/dbraw/zinc/30/99/13/170309913.db2.gz NPKOIUBWEGZBEA-CYBMUJFWSA-N 1 1 277.324 1.809 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285522820 196312940 /nfs/dbraw/zinc/31/29/40/196312940.db2.gz BFXAGLHHIREMPJ-JTQLQIEISA-N 1 1 295.343 1.122 20 5 CDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000044725808 175238063 /nfs/dbraw/zinc/23/80/63/175238063.db2.gz ZWOLGXZPLMNLFG-VIFPVBQESA-N 1 1 265.317 1.285 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000046055621 175391445 /nfs/dbraw/zinc/39/14/45/175391445.db2.gz HNSXDTBGXQJQGO-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000131775441 274350011 /nfs/dbraw/zinc/35/00/11/274350011.db2.gz SJOJYKDCXXIPKL-SNVBAGLBSA-N 1 1 283.353 1.194 20 5 CDBDMO C[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669577 277049675 /nfs/dbraw/zinc/04/96/75/277049675.db2.gz TWWPUTAKCWDUFT-UHFFFAOYSA-N 1 1 281.287 1.512 20 5 CDBDMO CCOC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000040748885 279143019 /nfs/dbraw/zinc/14/30/19/279143019.db2.gz KSILMEBESDFLJA-UHFFFAOYSA-N 1 1 278.308 1.906 20 5 CDBDMO CCOC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000040748885 279143020 /nfs/dbraw/zinc/14/30/20/279143020.db2.gz KSILMEBESDFLJA-UHFFFAOYSA-N 1 1 278.308 1.906 20 5 CDBDMO CCNC(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443461 521738164 /nfs/dbraw/zinc/73/81/64/521738164.db2.gz HGMTVRLVHXGHQD-UHFFFAOYSA-N 1 1 271.704 1.474 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353518254 522947866 /nfs/dbraw/zinc/94/78/66/522947866.db2.gz NJYAOKADCRHOSW-UHFFFAOYSA-N 1 1 264.325 1.984 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@@H+](C)C1CC1 ZINC000184369820 524460734 /nfs/dbraw/zinc/46/07/34/524460734.db2.gz WJYYUDHNFVCOOI-SECBINFHSA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCCO)C2)nc1 ZINC000304311081 534882054 /nfs/dbraw/zinc/88/20/54/534882054.db2.gz MBHADFVBHAOJPE-GFCCVEGCSA-N 1 1 294.355 1.639 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200196 525861129 /nfs/dbraw/zinc/86/11/29/525861129.db2.gz YNJWWWSKTKTBQX-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200196 525861136 /nfs/dbraw/zinc/86/11/36/525861136.db2.gz YNJWWWSKTKTBQX-SCZZXKLOSA-N 1 1 256.327 1.859 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000372747468 527490984 /nfs/dbraw/zinc/49/09/84/527490984.db2.gz MBEBWHGKZJCXGV-KOLCDFICSA-N 1 1 298.368 1.035 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000372747468 527490990 /nfs/dbraw/zinc/49/09/90/527490990.db2.gz MBEBWHGKZJCXGV-KOLCDFICSA-N 1 1 298.368 1.035 20 5 CDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000263781004 535986812 /nfs/dbraw/zinc/98/68/12/535986812.db2.gz YPKHJBRSQUOFGD-CYBMUJFWSA-N 1 1 293.323 1.014 20 5 CDBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000263781004 535986820 /nfs/dbraw/zinc/98/68/20/535986820.db2.gz YPKHJBRSQUOFGD-CYBMUJFWSA-N 1 1 293.323 1.014 20 5 CDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000734058825 575155104 /nfs/dbraw/zinc/15/51/04/575155104.db2.gz ZUDYOCCGIGPZGJ-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526615 576292937 /nfs/dbraw/zinc/29/29/37/576292937.db2.gz OFIDXKVALVSSFK-IUCAKERBSA-N 1 1 291.311 1.660 20 5 CDBDMO COC(=O)N1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761528574 576580806 /nfs/dbraw/zinc/58/08/06/576580806.db2.gz XKPDIGJHRGYTIM-UHFFFAOYSA-N 1 1 299.714 1.788 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954274 576608679 /nfs/dbraw/zinc/60/86/79/576608679.db2.gz LIRAKKMNLHKPBS-VXGBXAGGSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000761954274 576608681 /nfs/dbraw/zinc/60/86/81/576608681.db2.gz LIRAKKMNLHKPBS-VXGBXAGGSA-N 1 1 291.351 1.861 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749800676 576963133 /nfs/dbraw/zinc/96/31/33/576963133.db2.gz SJKITXISUDACQR-QWRGUYRKSA-N 1 1 266.301 1.107 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749800676 576963135 /nfs/dbraw/zinc/96/31/35/576963135.db2.gz SJKITXISUDACQR-QWRGUYRKSA-N 1 1 266.301 1.107 20 5 CDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000891394609 617382281 /nfs/dbraw/zinc/38/22/81/617382281.db2.gz WYNAMZXYCXNNHE-SNVBAGLBSA-N 1 1 296.323 1.513 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000891394609 617382283 /nfs/dbraw/zinc/38/22/83/617382283.db2.gz WYNAMZXYCXNNHE-SNVBAGLBSA-N 1 1 296.323 1.513 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](C2CCC2)CC1 ZINC000892517511 617471380 /nfs/dbraw/zinc/47/13/80/617471380.db2.gz NIHLPQBAQWIBOC-UHFFFAOYSA-N 1 1 265.317 1.003 20 5 CDBDMO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891675311 617533729 /nfs/dbraw/zinc/53/37/29/617533729.db2.gz RUVKAVZIACJZNL-PHIMTYICSA-N 1 1 297.359 1.240 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000893900812 618153219 /nfs/dbraw/zinc/15/32/19/618153219.db2.gz BJAIDXWKBBHFKT-SNVBAGLBSA-N 1 1 269.349 1.861 20 5 CDBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000928560155 619382025 /nfs/dbraw/zinc/38/20/25/619382025.db2.gz OUKIPCKYCZIJQI-VIFPVBQESA-N 1 1 295.364 1.751 20 5 CDBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000928560155 619382027 /nfs/dbraw/zinc/38/20/27/619382027.db2.gz OUKIPCKYCZIJQI-VIFPVBQESA-N 1 1 295.364 1.751 20 5 CDBDMO C[NH+](C)[C@H](CNCC[N+](=O)[O-])c1cccc(F)c1 ZINC000899858720 622485975 /nfs/dbraw/zinc/48/59/75/622485975.db2.gz ACQCNXVAOQSWSC-GFCCVEGCSA-N 1 1 255.293 1.295 20 5 CDBDMO O=[N+]([O-])CCNC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000899870267 622495759 /nfs/dbraw/zinc/49/57/59/622495759.db2.gz HCIVYDBIMXBXIP-UHFFFAOYSA-N 1 1 281.331 1.656 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCC[N+](=O)[O-] ZINC000905402483 626797336 /nfs/dbraw/zinc/79/73/36/626797336.db2.gz ZMMPMOKTWJXGNA-ZFWWWQNUSA-N 1 1 277.368 1.621 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000908283266 628110937 /nfs/dbraw/zinc/11/09/37/628110937.db2.gz YFWIFZPPILGWJZ-JTQLQIEISA-N 1 1 293.323 1.884 20 5 CDBDMO COc1ccc([N+](=O)[O-])nc1N[C@H]1CC[N@@H+](C)C1 ZINC001167275081 1158554752 /nfs/dbraw/zinc/55/47/52/1158554752.db2.gz DJERYVKPABEXTK-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO COc1cc(C)nc(N2CC[N@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158422448 1162968954 /nfs/dbraw/zinc/96/89/54/1162968954.db2.gz AGSPYVCDCHTLEC-SNVBAGLBSA-N 1 1 278.312 1.201 20 5 CDBDMO CCC[N@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311748710 828461215 /nfs/dbraw/zinc/46/12/15/828461215.db2.gz CGMGHNXBHDVOAN-UHFFFAOYSA-N 1 1 285.731 1.946 20 5 CDBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000311748710 828461217 /nfs/dbraw/zinc/46/12/17/828461217.db2.gz CGMGHNXBHDVOAN-UHFFFAOYSA-N 1 1 285.731 1.946 20 5 CDBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[N+](=O)[O-] ZINC000791055789 828528425 /nfs/dbraw/zinc/52/84/25/828528425.db2.gz XVXXIOOQHHCTLD-VIFPVBQESA-N 1 1 261.322 1.108 20 5 CDBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[N+](=O)[O-] ZINC000791055789 828528436 /nfs/dbraw/zinc/52/84/36/828528436.db2.gz XVXXIOOQHHCTLD-VIFPVBQESA-N 1 1 261.322 1.108 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CCO ZINC000886146741 824306472 /nfs/dbraw/zinc/30/64/72/824306472.db2.gz BEVJEMMJVZPWJX-NSHDSACASA-N 1 1 251.286 1.337 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000776578472 828639297 /nfs/dbraw/zinc/63/92/97/828639297.db2.gz GADQIFWJBONPIH-IUODEOHRSA-N 1 1 294.351 1.987 20 5 CDBDMO Cc1noc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000931718443 824382345 /nfs/dbraw/zinc/38/23/45/824382345.db2.gz RHCWPHWCIZDZNE-WDEREUQCSA-N 1 1 280.328 1.560 20 5 CDBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](CC[N+](=O)[O-])C2 ZINC000931102887 824401125 /nfs/dbraw/zinc/40/11/25/824401125.db2.gz IMUPXJUIAALMBW-BXUZGUMPSA-N 1 1 299.371 1.642 20 5 CDBDMO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931102887 824401134 /nfs/dbraw/zinc/40/11/34/824401134.db2.gz IMUPXJUIAALMBW-BXUZGUMPSA-N 1 1 299.371 1.642 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000250065036 824638757 /nfs/dbraw/zinc/63/87/57/824638757.db2.gz WSJQFUPXSPNJIQ-DZGCQCFKSA-N 1 1 294.351 1.865 20 5 CDBDMO Cc1nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000842638002 828702489 /nfs/dbraw/zinc/70/24/89/828702489.db2.gz HQLFKACELVWEHG-LLVKDONJSA-N 1 1 294.355 1.948 20 5 CDBDMO Cc1nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000842638002 828702515 /nfs/dbraw/zinc/70/25/15/828702515.db2.gz HQLFKACELVWEHG-LLVKDONJSA-N 1 1 294.355 1.948 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519485 824884485 /nfs/dbraw/zinc/88/44/85/824884485.db2.gz PDLMCUOTAHMHCP-MNOVXSKESA-N 1 1 293.298 1.587 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801519485 824884490 /nfs/dbraw/zinc/88/44/90/824884490.db2.gz PDLMCUOTAHMHCP-MNOVXSKESA-N 1 1 293.298 1.587 20 5 CDBDMO Cc1cccc(NCC[N@H+](C)CCOCCO)c1[N+](=O)[O-] ZINC000882950831 824904867 /nfs/dbraw/zinc/90/48/67/824904867.db2.gz CAZMHWBESFSEFM-UHFFFAOYSA-N 1 1 297.355 1.256 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000785798956 825024346 /nfs/dbraw/zinc/02/43/46/825024346.db2.gz ZPPKDRIHPJBBFK-VHSXEESVSA-N 1 1 283.353 1.931 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000874122423 825029813 /nfs/dbraw/zinc/02/98/13/825029813.db2.gz ACDREVPCMDANRA-GFCCVEGCSA-N 1 1 291.351 1.893 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000886310507 825079087 /nfs/dbraw/zinc/07/90/87/825079087.db2.gz MQHPBXBKBXQFLV-DGCLKSJQSA-N 1 1 276.340 1.516 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000882478684 825296067 /nfs/dbraw/zinc/29/60/67/825296067.db2.gz BLAGIVNHSDZCKV-NSHDSACASA-N 1 1 293.323 1.184 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000886264178 825607760 /nfs/dbraw/zinc/60/77/60/825607760.db2.gz RLZWLEOWBHUTNB-NSHDSACASA-N 1 1 298.293 1.515 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000886264178 825607768 /nfs/dbraw/zinc/60/77/68/825607768.db2.gz RLZWLEOWBHUTNB-NSHDSACASA-N 1 1 298.293 1.515 20 5 CDBDMO C[C@H](O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886005745 825785251 /nfs/dbraw/zinc/78/52/51/825785251.db2.gz IZZMWZFYNXSTIJ-JTQLQIEISA-N 1 1 265.313 1.583 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449987 825803411 /nfs/dbraw/zinc/80/34/11/825803411.db2.gz NMPXGQWPZPISPA-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CSC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793797768 825967570 /nfs/dbraw/zinc/96/75/70/825967570.db2.gz RSOKWSVJUCJWTF-JTQLQIEISA-N 1 1 270.358 1.824 20 5 CDBDMO CSC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000793797768 825967585 /nfs/dbraw/zinc/96/75/85/825967585.db2.gz RSOKWSVJUCJWTF-JTQLQIEISA-N 1 1 270.358 1.824 20 5 CDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535740 826403045 /nfs/dbraw/zinc/40/30/45/826403045.db2.gz ZJECXRDCRVGVDN-BYCMXARLSA-N 1 1 294.351 1.985 20 5 CDBDMO C[C@@H]1C[N@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799877 826833229 /nfs/dbraw/zinc/83/32/29/826833229.db2.gz OUHHLDLLRJSXON-WDEREUQCSA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+](CCNc2cc(N)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799877 826833230 /nfs/dbraw/zinc/83/32/30/826833230.db2.gz OUHHLDLLRJSXON-WDEREUQCSA-N 1 1 294.355 1.698 20 5 CDBDMO CCn1ncnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819279738 826838602 /nfs/dbraw/zinc/83/86/02/826838602.db2.gz QTCSLPNJHAEYQZ-LBPRGKRZSA-N 1 1 291.311 1.029 20 5 CDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000886591109 826876852 /nfs/dbraw/zinc/87/68/52/826876852.db2.gz MAOZFVHHTQXXEH-NSHDSACASA-N 1 1 294.355 1.725 20 5 CDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000886591109 826876853 /nfs/dbraw/zinc/87/68/53/826876853.db2.gz MAOZFVHHTQXXEH-NSHDSACASA-N 1 1 294.355 1.725 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177513 827091832 /nfs/dbraw/zinc/09/18/32/827091832.db2.gz AMUJOUQYWMTUPP-IUODEOHRSA-N 1 1 295.383 1.947 20 5 CDBDMO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886129741 827252310 /nfs/dbraw/zinc/25/23/10/827252310.db2.gz MMMOYZBZAAXHKD-SECBINFHSA-N 1 1 261.285 1.574 20 5 CDBDMO CS[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840115815 827287872 /nfs/dbraw/zinc/28/78/72/827287872.db2.gz OCAGLGXMVURDCW-JTQLQIEISA-N 1 1 270.358 1.803 20 5 CDBDMO CS[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000840115815 827287879 /nfs/dbraw/zinc/28/78/79/827287879.db2.gz OCAGLGXMVURDCW-JTQLQIEISA-N 1 1 270.358 1.803 20 5 CDBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054213 827337212 /nfs/dbraw/zinc/33/72/12/827337212.db2.gz YSLYYYOWNITHDJ-NWDGAFQWSA-N 1 1 271.361 1.280 20 5 CDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829539490 827594057 /nfs/dbraw/zinc/59/40/57/827594057.db2.gz ZRXWUCFARRHMEV-LBPRGKRZSA-N 1 1 285.388 1.811 20 5 CDBDMO Cc1c(CNC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000702587216 827647998 /nfs/dbraw/zinc/64/79/98/827647998.db2.gz MEHFAEIOYPCWNG-AWEZNQCLSA-N 1 1 279.340 1.059 20 5 CDBDMO Cc1c(C[NH2+]C[C@@]2(O)CCN(C)C2)cccc1[N+](=O)[O-] ZINC000702587216 827648003 /nfs/dbraw/zinc/64/80/03/827648003.db2.gz MEHFAEIOYPCWNG-AWEZNQCLSA-N 1 1 279.340 1.059 20 5 CDBDMO COc1ccc(C)cc1C[NH+]1CCN(CC[N+](=O)[O-])CC1 ZINC000929196395 827829610 /nfs/dbraw/zinc/82/96/10/827829610.db2.gz STTPCSAQMJTNAK-UHFFFAOYSA-N 1 1 293.367 1.398 20 5 CDBDMO C[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018954 827889305 /nfs/dbraw/zinc/88/93/05/827889305.db2.gz CUPOSUHLEBBDNS-VIFPVBQESA-N 1 1 276.296 1.530 20 5 CDBDMO C[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018954 827889307 /nfs/dbraw/zinc/88/93/07/827889307.db2.gz CUPOSUHLEBBDNS-VIFPVBQESA-N 1 1 276.296 1.530 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233857126 913088733 /nfs/dbraw/zinc/08/87/33/913088733.db2.gz JXSNKPSULGRXOF-SNVBAGLBSA-N 1 1 251.286 1.853 20 5 CDBDMO C[N@H+]1CC[C@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001167278426 895028251 /nfs/dbraw/zinc/02/82/51/895028251.db2.gz JYWIQDHJFQQNPY-QMMMGPOBSA-N 1 1 261.285 1.587 20 5 CDBDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC ZINC000697921951 909601497 /nfs/dbraw/zinc/60/14/97/909601497.db2.gz XZTRHVUHCBFSHI-SNVBAGLBSA-N 1 1 285.731 1.862 20 5 CDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205224660 919194607 /nfs/dbraw/zinc/19/46/07/919194607.db2.gz WDZBAFPGGADTRE-ZIAGYGMSSA-N 1 1 295.383 1.280 20 5 CDBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cnc(C[NH3+])n1 ZINC001168756746 922761041 /nfs/dbraw/zinc/76/10/41/922761041.db2.gz LCESVNIZQOEBDR-UHFFFAOYSA-N 1 1 297.702 1.605 20 5 CDBDMO C[C@@]1(O)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011301 927616585 /nfs/dbraw/zinc/61/65/85/927616585.db2.gz JOOZYANFTGECEY-WHOHXGKFSA-N 1 1 260.309 1.227 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001169013970 927619814 /nfs/dbraw/zinc/61/98/14/927619814.db2.gz XAXMGDFGWLFTKI-LOWDOPEQSA-N 1 1 254.330 1.543 20 5 CDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036515 927644732 /nfs/dbraw/zinc/64/47/32/927644732.db2.gz GHPIIHXTQFQFOX-TUAOUCFPSA-N 1 1 256.346 1.667 20 5 CDBDMO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1C ZINC001169043782 927657069 /nfs/dbraw/zinc/65/70/69/927657069.db2.gz HRWAIPKSSFNWCW-FVCCEPFGSA-N 1 1 284.356 1.705 20 5 CDBDMO CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001169026946 927665963 /nfs/dbraw/zinc/66/59/63/927665963.db2.gz ONXLDMPITKSUJJ-AAEUAGOBSA-N 1 1 256.346 1.933 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001170897365 930694228 /nfs/dbraw/zinc/69/42/28/930694228.db2.gz FNDYHYHJVJWTQM-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001170900017 930701074 /nfs/dbraw/zinc/70/10/74/930701074.db2.gz OEWVREKWSHFJKK-SECBINFHSA-N 1 1 260.244 1.309 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])ccc1Cl ZINC001170900185 930701855 /nfs/dbraw/zinc/70/18/55/930701855.db2.gz PXPRRYQZCIKRQZ-JTQLQIEISA-N 1 1 258.709 1.684 20 5 CDBDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306923 930855125 /nfs/dbraw/zinc/85/51/25/930855125.db2.gz DHIILOPPHJXFMS-CMPLNLGQSA-N 1 1 265.313 1.989 20 5 CDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886306923 930855128 /nfs/dbraw/zinc/85/51/28/930855128.db2.gz DHIILOPPHJXFMS-CMPLNLGQSA-N 1 1 265.313 1.989 20 5 CDBDMO C[C@H]1CN(CC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000930720862 933435251 /nfs/dbraw/zinc/43/52/51/933435251.db2.gz UZPZEMFUNHQRCP-ZDUSSCGKSA-N 1 1 263.341 1.469 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272553 938473822 /nfs/dbraw/zinc/47/38/22/938473822.db2.gz OHBYWCWWRKCWSM-JOYOIKCWSA-N 1 1 277.328 1.102 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3c(cccc3[N+](=O)[O-])n2)n1 ZINC001157928962 938564543 /nfs/dbraw/zinc/56/45/43/938564543.db2.gz UQOQCBREOGQVHO-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])n1 ZINC001159783376 938752585 /nfs/dbraw/zinc/75/25/85/938752585.db2.gz CILMAKFEIZVJBU-VIFPVBQESA-N 1 1 253.306 1.042 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+]2C)n1 ZINC001160963874 938851331 /nfs/dbraw/zinc/85/13/31/938851331.db2.gz JHCZSCUCCYRYGZ-SNVBAGLBSA-N 1 1 295.343 1.598 20 5 CDBDMO COc1nc(NCC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001160966470 938852188 /nfs/dbraw/zinc/85/21/88/938852188.db2.gz KCSOYXAKBGSSST-SNVBAGLBSA-N 1 1 280.328 1.895 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N[C@]2(C)CCC[N@H+](C)C2)n1 ZINC001162341663 939030888 /nfs/dbraw/zinc/03/08/88/939030888.db2.gz OAWGVZSPCKPUDN-GFCCVEGCSA-N 1 1 265.317 1.589 20 5 CDBDMO COCC1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001163732766 939317752 /nfs/dbraw/zinc/31/77/52/939317752.db2.gz RONWIQGKKVFJME-SNAWJCMRSA-N 1 1 292.339 1.605 20 5 CDBDMO Cc1[nH+]ccn1CCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001163928878 939355746 /nfs/dbraw/zinc/35/57/46/939355746.db2.gz NMPDAWABYUULSV-UHFFFAOYSA-N 1 1 287.283 1.255 20 5 CDBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])ccn2)C[C@H]1C ZINC001165198976 939522703 /nfs/dbraw/zinc/52/27/03/939522703.db2.gz LMVBQAJICCILNL-LLVKDONJSA-N 1 1 264.329 1.909 20 5 CDBDMO C[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094860 941719683 /nfs/dbraw/zinc/71/96/83/941719683.db2.gz GKNISBGKICVEEY-LLVKDONJSA-N 1 1 281.268 1.724 20 5 CDBDMO C[N@@H+]1CCO[C@H](COCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224778340 941790999 /nfs/dbraw/zinc/79/09/99/941790999.db2.gz KMJPNIDFLCCXQD-AWEZNQCLSA-N 1 1 296.323 1.321 20 5 CDBDMO C[N@H+]1CCO[C@H](COCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224778340 941791002 /nfs/dbraw/zinc/79/10/02/941791002.db2.gz KMJPNIDFLCCXQD-AWEZNQCLSA-N 1 1 296.323 1.321 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226129497 941955223 /nfs/dbraw/zinc/95/52/23/941955223.db2.gz DJEMKNGSINWZJR-QMMMGPOBSA-N 1 1 257.677 1.726 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226760630 942065077 /nfs/dbraw/zinc/06/50/77/942065077.db2.gz BWSZTOKZHQXJOJ-NSHDSACASA-N 1 1 251.286 1.771 20 5 CDBDMO C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715497 942211715 /nfs/dbraw/zinc/21/17/15/942211715.db2.gz BEZVYMFACKSMCN-IUCAKERBSA-O 1 1 268.337 1.247 20 5 CDBDMO Cc1[nH]c(=O)cc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001228689270 942359345 /nfs/dbraw/zinc/35/93/45/942359345.db2.gz QRWQVEIEASHGQZ-SECBINFHSA-N 1 1 290.279 1.594 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC([NH+]3CC(O)C3)CC2)cc1 ZINC001254476043 947451863 /nfs/dbraw/zinc/45/18/63/947451863.db2.gz KARVZTGZIDGQOK-UHFFFAOYSA-N 1 1 277.324 1.240 20 5 CDBDMO COC1(C)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597923 947545676 /nfs/dbraw/zinc/54/56/76/947545676.db2.gz JGXORSIHKCZKDC-CYBMUJFWSA-N 1 1 262.309 1.783 20 5 CDBDMO Cn1cc(C[N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254601083 947548976 /nfs/dbraw/zinc/54/89/76/947548976.db2.gz YQXNPNIGNMLZBQ-HNNXBMFYSA-N 1 1 286.335 1.928 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600862 947550310 /nfs/dbraw/zinc/55/03/10/947550310.db2.gz WLFRNJMHQXJRLS-BXUZGUMPSA-N 1 1 289.335 1.259 20 5 CDBDMO C[C@@H]1C[C@H](O)CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604908 947552311 /nfs/dbraw/zinc/55/23/11/947552311.db2.gz YMCLGUGTWOXUTJ-WKPIXPDZSA-N 1 1 276.336 1.907 20 5 CDBDMO O=C1CC[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001327545561 954925982 /nfs/dbraw/zinc/92/59/82/954925982.db2.gz HETHGZIJDBIALN-CYBMUJFWSA-N 1 1 276.292 1.659 20 5 CDBDMO O=C1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC001327545561 954925993 /nfs/dbraw/zinc/92/59/93/954925993.db2.gz HETHGZIJDBIALN-CYBMUJFWSA-N 1 1 276.292 1.659 20 5 CDBDMO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304501581 956196490 /nfs/dbraw/zinc/19/64/90/956196490.db2.gz YCWQIXXYLSLAMX-VIFPVBQESA-N 1 1 292.339 1.766 20 5 CDBDMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c(N)c1[N+](=O)[O-] ZINC001304501581 956196498 /nfs/dbraw/zinc/19/64/98/956196498.db2.gz YCWQIXXYLSLAMX-VIFPVBQESA-N 1 1 292.339 1.766 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CC=CC1 ZINC001320871681 959433010 /nfs/dbraw/zinc/43/30/10/959433010.db2.gz AGXNHJHDRNVBMU-UHFFFAOYSA-N 1 1 291.307 1.205 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001337811025 961442653 /nfs/dbraw/zinc/44/26/53/961442653.db2.gz VULNDSNIQHLXMN-NWDGAFQWSA-N 1 1 276.340 1.759 20 5 CDBDMO Cc1cc(NC(=O)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001349858046 966501341 /nfs/dbraw/zinc/50/13/41/966501341.db2.gz QJMQPUKSJMUHQY-UHFFFAOYSA-N 1 1 293.323 1.564 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1cccnc1N1CCCC1 ZINC001353275785 967845683 /nfs/dbraw/zinc/84/56/83/967845683.db2.gz BVZFUFIZRKHWMJ-UHFFFAOYSA-N 1 1 250.302 1.048 20 5 CDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001515470811 969897017 /nfs/dbraw/zinc/89/70/17/969897017.db2.gz QYHNIGLBGHUMSF-JTQLQIEISA-N 1 1 279.344 1.350 20 5 CDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001576080676 1171326709 /nfs/dbraw/zinc/32/67/09/1171326709.db2.gz FRUFQKNFTCEFMZ-BXUZGUMPSA-N 1 1 295.314 1.729 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192631 342488520 /nfs/dbraw/zinc/48/85/20/342488520.db2.gz XXHRBYJXPJMGQD-JTQLQIEISA-N 1 1 267.333 1.249 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000135542113 361744473 /nfs/dbraw/zinc/74/44/73/361744473.db2.gz YRUMYLGVSWZMIM-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000600313462 342086358 /nfs/dbraw/zinc/08/63/58/342086358.db2.gz XMHVIEORRMDBMK-JTQLQIEISA-N 1 1 280.328 1.385 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C3CCC3)C2)n1 ZINC000591061975 342614832 /nfs/dbraw/zinc/61/48/32/342614832.db2.gz PXNZCOIILRMDJO-GFCCVEGCSA-N 1 1 264.329 1.913 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110335 342769725 /nfs/dbraw/zinc/76/97/25/342769725.db2.gz UYPZSKHIQAUUPT-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000078022636 342202675 /nfs/dbraw/zinc/20/26/75/342202675.db2.gz WUOVLURXCLDOBI-LBPRGKRZSA-N 1 1 264.329 1.766 20 5 CDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593917405 342851124 /nfs/dbraw/zinc/85/11/24/342851124.db2.gz VQEQSJOAICKLNV-SCZZXKLOSA-N 1 1 295.343 1.216 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026119 342867356 /nfs/dbraw/zinc/86/73/56/342867356.db2.gz CYJJSBBFZDWMTF-CQSZACIVSA-N 1 1 294.355 1.825 20 5 CDBDMO CCOC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000594052269 342872593 /nfs/dbraw/zinc/87/25/93/342872593.db2.gz UJLSHMJUVIGEAR-UHFFFAOYSA-N 1 1 298.343 1.455 20 5 CDBDMO CC[N@H+](CCN)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600717539 342244323 /nfs/dbraw/zinc/24/43/23/342244323.db2.gz QOMXPKRAAJVGQW-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO CC[N@@H+](CCN)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600717539 342244324 /nfs/dbraw/zinc/24/43/24/342244324.db2.gz QOMXPKRAAJVGQW-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300955 343028281 /nfs/dbraw/zinc/02/82/81/343028281.db2.gz GSHAWFVBLMDOLE-JTQLQIEISA-N 1 1 297.311 1.809 20 5 CDBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300955 343028283 /nfs/dbraw/zinc/02/82/83/343028283.db2.gz GSHAWFVBLMDOLE-JTQLQIEISA-N 1 1 297.311 1.809 20 5 CDBDMO Cc1noc(C[N@@H+](C)CC2(O)CCCC2)c1[N+](=O)[O-] ZINC000595395743 343047854 /nfs/dbraw/zinc/04/78/54/343047854.db2.gz LBALZKCQADVUBJ-UHFFFAOYSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(C[N@H+](C)CC2(O)CCCC2)c1[N+](=O)[O-] ZINC000595395743 343047857 /nfs/dbraw/zinc/04/78/57/343047857.db2.gz LBALZKCQADVUBJ-UHFFFAOYSA-N 1 1 269.301 1.628 20 5 CDBDMO Cc1noc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595406902 343050399 /nfs/dbraw/zinc/05/03/99/343050399.db2.gz CRAVTEWVXPTOLH-ZJUUUORDSA-N 1 1 268.317 1.416 20 5 CDBDMO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000595428919 343057987 /nfs/dbraw/zinc/05/79/87/343057987.db2.gz AAYIDJQQLFGZQD-VHSXEESVSA-N 1 1 269.301 1.938 20 5 CDBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596195667 343254429 /nfs/dbraw/zinc/25/44/29/343254429.db2.gz UBKULWPXMIEYSM-JTQLQIEISA-N 1 1 283.353 1.486 20 5 CDBDMO Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596195667 343254432 /nfs/dbraw/zinc/25/44/32/343254432.db2.gz UBKULWPXMIEYSM-JTQLQIEISA-N 1 1 283.353 1.486 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596177814 343261626 /nfs/dbraw/zinc/26/16/26/343261626.db2.gz HCMMVOCOGUYTTF-IUCAKERBSA-N 1 1 265.317 1.101 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596217897 343269342 /nfs/dbraw/zinc/26/93/42/343269342.db2.gz ZFCVUQLUOSXNLB-LLVKDONJSA-N 1 1 293.371 1.526 20 5 CDBDMO C[N@H+]1CCN(CCNc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000619651985 349836034 /nfs/dbraw/zinc/83/60/34/349836034.db2.gz XRBWACLKQJBDFC-UHFFFAOYSA-N 1 1 293.371 1.428 20 5 CDBDMO COC(=O)c1ccnc(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598587861 343836185 /nfs/dbraw/zinc/83/61/85/343836185.db2.gz FJQLFISLLHKJDX-UHFFFAOYSA-N 1 1 294.311 1.283 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCCCO)C1CC1 ZINC000602783418 344597652 /nfs/dbraw/zinc/59/76/52/344597652.db2.gz ZGYNONWXYXJOJI-UHFFFAOYSA-N 1 1 282.344 1.337 20 5 CDBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602773432 344577736 /nfs/dbraw/zinc/57/77/36/344577736.db2.gz SIKRFSMKZFJCGS-UHFFFAOYSA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC=C(C)CC1 ZINC000602794839 344585898 /nfs/dbraw/zinc/58/58/98/344585898.db2.gz KNRUQBRVSAQQLV-UHFFFAOYSA-N 1 1 250.302 1.752 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000602788919 344601050 /nfs/dbraw/zinc/60/10/50/344601050.db2.gz YDOVCWLLYHCTBJ-ZDUSSCGKSA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000602788919 344601052 /nfs/dbraw/zinc/60/10/52/344601052.db2.gz YDOVCWLLYHCTBJ-ZDUSSCGKSA-N 1 1 296.371 1.847 20 5 CDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265970514 362633715 /nfs/dbraw/zinc/63/37/15/362633715.db2.gz KQKDVEXPAAWQJK-UHFFFAOYSA-N 1 1 291.311 1.638 20 5 CDBDMO Cc1c(C[N@@H+](C)CCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000609578189 345816246 /nfs/dbraw/zinc/81/62/46/345816246.db2.gz GAPPKGNEZLXZCK-UHFFFAOYSA-N 1 1 291.351 1.957 20 5 CDBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610484838 346289555 /nfs/dbraw/zinc/28/95/55/346289555.db2.gz IBSYCGILIIQUHL-NSHDSACASA-N 1 1 296.327 1.209 20 5 CDBDMO CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611084781 346604456 /nfs/dbraw/zinc/60/44/56/346604456.db2.gz SPVADFRGZKQDSG-NSHDSACASA-N 1 1 264.329 1.829 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088372 346604961 /nfs/dbraw/zinc/60/49/61/346604961.db2.gz RXVPKKWVJHBFDC-LBPRGKRZSA-N 1 1 291.351 1.690 20 5 CDBDMO COCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253874 346721118 /nfs/dbraw/zinc/72/11/18/346721118.db2.gz VZGBDRYZAZLFEA-UHFFFAOYSA-N 1 1 282.296 1.444 20 5 CDBDMO COCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253874 346721121 /nfs/dbraw/zinc/72/11/21/346721121.db2.gz VZGBDRYZAZLFEA-UHFFFAOYSA-N 1 1 282.296 1.444 20 5 CDBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221651 346695405 /nfs/dbraw/zinc/69/54/05/346695405.db2.gz DSLKLALCLWDTBI-QWRGUYRKSA-N 1 1 264.329 1.909 20 5 CDBDMO CCc1nn(C)c(N2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611281597 346734155 /nfs/dbraw/zinc/73/41/55/346734155.db2.gz FTKCIWWPVACSOM-SNVBAGLBSA-N 1 1 281.360 1.421 20 5 CDBDMO CCc1nn(C)c(N2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611281597 346734157 /nfs/dbraw/zinc/73/41/57/346734157.db2.gz FTKCIWWPVACSOM-SNVBAGLBSA-N 1 1 281.360 1.421 20 5 CDBDMO CC(C)[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000085861897 179190626 /nfs/dbraw/zinc/19/06/26/179190626.db2.gz ZBEWVSRCPDZRBD-UHFFFAOYSA-N 1 1 268.313 1.676 20 5 CDBDMO C[N@@H+](CCOCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000088599645 365910195 /nfs/dbraw/zinc/91/01/95/365910195.db2.gz BJPLYFZLLDENEG-UHFFFAOYSA-N 1 1 268.317 1.150 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000110652163 186311140 /nfs/dbraw/zinc/31/11/40/186311140.db2.gz BFCAHLCZGMXSQX-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO COCC[N@H+]1CCC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000078660363 350839923 /nfs/dbraw/zinc/83/99/23/350839923.db2.gz DKJWINAEMWMXIW-LBPRGKRZSA-N 1 1 294.355 1.821 20 5 CDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768699 350968114 /nfs/dbraw/zinc/96/81/14/350968114.db2.gz OBTHMDQKFMBZEC-CYBMUJFWSA-N 1 1 250.298 1.798 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC23CCC3)c1 ZINC000081563853 351153600 /nfs/dbraw/zinc/15/36/00/351153600.db2.gz RLDOGIXHNYQXRX-CYBMUJFWSA-N 1 1 292.335 1.963 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088208 283163275 /nfs/dbraw/zinc/16/32/75/283163275.db2.gz ISYXRXXFZGIPMJ-NEPJUHHUSA-N 1 1 276.340 1.910 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c(F)c1 ZINC000060332588 357202738 /nfs/dbraw/zinc/20/27/38/357202738.db2.gz VWHIDNGKNHTYPF-UHFFFAOYSA-N 1 1 283.303 1.238 20 5 CDBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185615321 357560176 /nfs/dbraw/zinc/56/01/76/357560176.db2.gz GFROVFBPSCTIQP-GHMZBOCLSA-N 1 1 252.318 1.912 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000274348913 357648506 /nfs/dbraw/zinc/64/85/06/357648506.db2.gz WKMGKCJAAMHADX-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000274348913 357648508 /nfs/dbraw/zinc/64/85/08/357648508.db2.gz WKMGKCJAAMHADX-ZANVPECISA-N 1 1 298.314 1.945 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000361472403 358220041 /nfs/dbraw/zinc/22/00/41/358220041.db2.gz XFUSYYLTHBIMRD-YPMHNXCESA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159459 366409672 /nfs/dbraw/zinc/40/96/72/366409672.db2.gz GIACIYWCPJCJGB-SECBINFHSA-N 1 1 267.285 1.402 20 5 CDBDMO Cc1nc(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852584 199214734 /nfs/dbraw/zinc/21/47/34/199214734.db2.gz BHLXLBZMMVOWTE-GFCCVEGCSA-N 1 1 294.355 1.557 20 5 CDBDMO COc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000106884344 359011635 /nfs/dbraw/zinc/01/16/35/359011635.db2.gz SPRJJRPARZWJLJ-NSHDSACASA-N 1 1 266.297 1.824 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106886075 359011806 /nfs/dbraw/zinc/01/18/06/359011806.db2.gz SECSXGIDTULBFF-OLZOCXBDSA-N 1 1 296.323 1.055 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112926186 359365714 /nfs/dbraw/zinc/36/57/14/359365714.db2.gz NWBQZMCAYPFTSJ-UHFFFAOYSA-N 1 1 280.328 1.075 20 5 CDBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CO ZINC000339631129 359419647 /nfs/dbraw/zinc/41/96/47/359419647.db2.gz SQBSOYZYURCWCS-LLVKDONJSA-N 1 1 295.339 1.544 20 5 CDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339679968 359427387 /nfs/dbraw/zinc/42/73/87/359427387.db2.gz UNWTVNHHPVWEDA-CYBMUJFWSA-N 1 1 291.351 1.879 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CCC1 ZINC000221183498 359502396 /nfs/dbraw/zinc/50/23/96/359502396.db2.gz OLVCVETYLQXGIA-UHFFFAOYSA-N 1 1 280.324 1.950 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467025 200201234 /nfs/dbraw/zinc/20/12/34/200201234.db2.gz KMDOSUJSFQDLAN-LLVKDONJSA-N 1 1 279.344 1.614 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351928434 359911726 /nfs/dbraw/zinc/91/17/26/359911726.db2.gz SWHIUEZBCOPSIN-SKDRFNHKSA-N 1 1 266.297 1.416 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351928434 359911727 /nfs/dbraw/zinc/91/17/27/359911727.db2.gz SWHIUEZBCOPSIN-SKDRFNHKSA-N 1 1 266.297 1.416 20 5 CDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000177437730 189051053 /nfs/dbraw/zinc/05/10/53/189051053.db2.gz RKCKRPFKKNUIOR-AWEZNQCLSA-N 1 1 278.308 1.980 20 5 CDBDMO CCCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112310441 360521562 /nfs/dbraw/zinc/52/15/62/360521562.db2.gz UEOYYZVMALGOOG-UHFFFAOYSA-N 1 1 293.367 1.985 20 5 CDBDMO Cc1nc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000178036282 189086889 /nfs/dbraw/zinc/08/68/89/189086889.db2.gz BMKNPLXUKVJCCL-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000178036282 189086890 /nfs/dbraw/zinc/08/68/90/189086890.db2.gz BMKNPLXUKVJCCL-UHFFFAOYSA-N 1 1 294.355 1.821 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358304696 360936230 /nfs/dbraw/zinc/93/62/30/360936230.db2.gz LTXVPNBQAIDTCP-NSHDSACASA-N 1 1 296.371 1.784 20 5 CDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000053184968 361183359 /nfs/dbraw/zinc/18/33/59/361183359.db2.gz YCROKDFRKXMPNH-UHFFFAOYSA-N 1 1 289.335 1.826 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351775770 361396846 /nfs/dbraw/zinc/39/68/46/361396846.db2.gz WCCHFCKXXNCJFR-GIPNMCIBSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351775770 361396849 /nfs/dbraw/zinc/39/68/49/361396849.db2.gz WCCHFCKXXNCJFR-GIPNMCIBSA-N 1 1 293.323 1.234 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304304792 239355868 /nfs/dbraw/zinc/35/58/68/239355868.db2.gz JJLOBCZOZSFACX-NQBHXWOUSA-N 1 1 282.344 1.273 20 5 CDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275440521 193038075 /nfs/dbraw/zinc/03/80/75/193038075.db2.gz KFANHTBQCIWHQE-UONOGXRCSA-N 1 1 294.351 1.721 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCNC1=O ZINC000573132821 365252018 /nfs/dbraw/zinc/25/20/18/365252018.db2.gz KTVXGEROHMPMDY-CYBMUJFWSA-N 1 1 291.351 1.595 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903532 366942946 /nfs/dbraw/zinc/94/29/46/366942946.db2.gz MWOJFFRVXBAKEO-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546602 367760523 /nfs/dbraw/zinc/76/05/23/367760523.db2.gz KEURAKIQVVMUHW-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000295560721 370487922 /nfs/dbraw/zinc/48/79/22/370487922.db2.gz QHEHBCNETPEKRJ-NSHDSACASA-N 1 1 279.344 1.837 20 5 CDBDMO CC[C@@H](CO)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295719135 370590095 /nfs/dbraw/zinc/59/00/95/370590095.db2.gz NXFHPVDUZQEMMK-AAEUAGOBSA-N 1 1 298.339 1.037 20 5 CDBDMO COc1ccc(CNC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414888328 371018308 /nfs/dbraw/zinc/01/83/08/371018308.db2.gz ZXEBJQPELHGGLL-SECBINFHSA-N 1 1 253.302 1.288 20 5 CDBDMO Cc1c(CC(=O)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000122866494 371512725 /nfs/dbraw/zinc/51/27/25/371512725.db2.gz PYIKBYDGXNAYOD-UHFFFAOYSA-N 1 1 293.367 1.902 20 5 CDBDMO Cc1c(NC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000298380671 373516320 /nfs/dbraw/zinc/51/63/20/373516320.db2.gz FGVAJILZVOKQSU-UHFFFAOYSA-N 1 1 278.312 1.683 20 5 CDBDMO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298451763 373603094 /nfs/dbraw/zinc/60/30/94/373603094.db2.gz HDYVXXIZVLGELB-UHFFFAOYSA-N 1 1 296.346 1.783 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000368472844 373842452 /nfs/dbraw/zinc/84/24/52/373842452.db2.gz BGDJPRCTQULPHF-CQSZACIVSA-N 1 1 262.309 1.942 20 5 CDBDMO CC[N@@H+](CCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266559290 373986295 /nfs/dbraw/zinc/98/62/95/373986295.db2.gz MOPJIWVAZVYHNE-ZDUSSCGKSA-N 1 1 298.339 1.039 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+](CCO)C2CC2)cc1 ZINC000079198468 374394622 /nfs/dbraw/zinc/39/46/22/374394622.db2.gz ILRAUGGIIWKKEU-UHFFFAOYSA-N 1 1 280.324 1.820 20 5 CDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CC[N@@H+](C)CC1 ZINC000543754607 374440853 /nfs/dbraw/zinc/44/08/53/374440853.db2.gz UJXMHYUVDIHOGE-SNVBAGLBSA-N 1 1 292.339 1.314 20 5 CDBDMO COc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000299509973 374680604 /nfs/dbraw/zinc/68/06/04/374680604.db2.gz RRZXMKOAOJHKAE-UHFFFAOYSA-N 1 1 295.339 1.560 20 5 CDBDMO COc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000275220168 374691072 /nfs/dbraw/zinc/69/10/72/374691072.db2.gz KWZGTYDZODXBEO-UHFFFAOYSA-N 1 1 293.323 1.426 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000277646047 374799123 /nfs/dbraw/zinc/79/91/23/374799123.db2.gz UMRDSZBITOBVPI-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000449384668 374804515 /nfs/dbraw/zinc/80/45/15/374804515.db2.gz CFYKRLQSKRZCSZ-OAHLLOKOSA-N 1 1 293.367 1.531 20 5 CDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449384668 374804524 /nfs/dbraw/zinc/80/45/24/374804524.db2.gz CFYKRLQSKRZCSZ-OAHLLOKOSA-N 1 1 293.367 1.531 20 5 CDBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331017403 374881110 /nfs/dbraw/zinc/88/11/10/374881110.db2.gz VOUHVPAGMGBSGC-MNOVXSKESA-N 1 1 252.318 1.912 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000331232372 374911445 /nfs/dbraw/zinc/91/14/45/374911445.db2.gz AQHANNWUEAQKNO-NSHDSACASA-N 1 1 295.314 1.900 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490640 374998413 /nfs/dbraw/zinc/99/84/13/374998413.db2.gz BFUZUXZLXALRMR-CQSZACIVSA-N 1 1 293.323 1.171 20 5 CDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293937497 375439255 /nfs/dbraw/zinc/43/92/55/375439255.db2.gz IPSIGOCIFIZTSE-TXEJJXNPSA-N 1 1 291.351 1.688 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CC=CCC1 ZINC000357681721 375926790 /nfs/dbraw/zinc/92/67/90/375926790.db2.gz BDMHHOVGELUXOO-UHFFFAOYSA-N 1 1 279.344 1.793 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1=CC[N@@H+](C)CC1 ZINC000357904729 375939250 /nfs/dbraw/zinc/93/92/50/375939250.db2.gz ILXARWIOSNCWKQ-VIFPVBQESA-N 1 1 278.312 1.303 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000190362194 377578832 /nfs/dbraw/zinc/57/88/32/377578832.db2.gz ZLAZZGPGYVOSHN-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CO ZINC000190362194 377578840 /nfs/dbraw/zinc/57/88/40/377578840.db2.gz ZLAZZGPGYVOSHN-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000172913365 377788512 /nfs/dbraw/zinc/78/85/12/377788512.db2.gz NGTKOKDYYQYJKH-UHFFFAOYSA-N 1 1 277.324 1.681 20 5 CDBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000278619605 194071836 /nfs/dbraw/zinc/07/18/36/194071836.db2.gz FQUZRRNGJNIDQL-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000278619605 194071839 /nfs/dbraw/zinc/07/18/39/194071839.db2.gz FQUZRRNGJNIDQL-ZANVPECISA-N 1 1 295.295 1.706 20 5 CDBDMO COc1ccc(OCC[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173799770 379239820 /nfs/dbraw/zinc/23/98/20/379239820.db2.gz UUFGMPFUXBFECS-SNVBAGLBSA-N 1 1 284.312 1.295 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288500030 197096774 /nfs/dbraw/zinc/09/67/74/197096774.db2.gz QGSAFFPNYNNIIS-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288500030 197096775 /nfs/dbraw/zinc/09/67/75/197096775.db2.gz QGSAFFPNYNNIIS-LLVKDONJSA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187386161 390548010 /nfs/dbraw/zinc/54/80/10/390548010.db2.gz UUKQDYICFNQTDR-MFKMUULPSA-N 1 1 277.324 1.681 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187386161 390548015 /nfs/dbraw/zinc/54/80/15/390548015.db2.gz UUKQDYICFNQTDR-MFKMUULPSA-N 1 1 277.324 1.681 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000450780749 390552634 /nfs/dbraw/zinc/55/26/34/390552634.db2.gz RIBMEYMSLXRHON-MFKMUULPSA-N 1 1 299.334 1.678 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000452047326 390663764 /nfs/dbraw/zinc/66/37/64/390663764.db2.gz ZSYGHAGJKAUNEE-NSHDSACASA-N 1 1 268.317 1.292 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000520217563 391251941 /nfs/dbraw/zinc/25/19/41/391251941.db2.gz YOCNXGBFZBFVQE-GXFFZTMASA-N 1 1 292.339 1.100 20 5 CDBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000430642420 391351845 /nfs/dbraw/zinc/35/18/45/391351845.db2.gz KIVJBKDZHMKADL-UHFFFAOYSA-N 1 1 279.340 1.657 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343480455 391634267 /nfs/dbraw/zinc/63/42/67/391634267.db2.gz RHZVHTGSZSBHMZ-KOLCDFICSA-N 1 1 292.339 1.588 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190881299 130157717 /nfs/dbraw/zinc/15/77/17/130157717.db2.gz MJCFEMCUGDSDJB-YPMHNXCESA-N 1 1 264.325 1.698 20 5 CDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000245767093 131088621 /nfs/dbraw/zinc/08/86/21/131088621.db2.gz JQKURKJZMLVDDN-GXSJLCMTSA-N 1 1 295.339 1.543 20 5 CDBDMO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000442784195 392494208 /nfs/dbraw/zinc/49/42/08/392494208.db2.gz ROLDJPPJWCFCRV-NEPJUHHUSA-N 1 1 279.340 1.643 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790026 392727780 /nfs/dbraw/zinc/72/77/80/392727780.db2.gz WCJIFOSCRSGLIR-NWDGAFQWSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000525803813 392938145 /nfs/dbraw/zinc/93/81/45/392938145.db2.gz OQSAPSFHDSZRDV-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000430213208 393093553 /nfs/dbraw/zinc/09/35/53/393093553.db2.gz SAWZWQVWGBBDAS-MFKMUULPSA-N 1 1 280.324 1.806 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282033633 393170044 /nfs/dbraw/zinc/17/00/44/393170044.db2.gz WSIKCCAXLQADMR-UHFFFAOYSA-N 1 1 270.358 1.972 20 5 CDBDMO CC(C)(O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000330896660 393146088 /nfs/dbraw/zinc/14/60/88/393146088.db2.gz NKRDFXZSJRQYHI-LLVKDONJSA-N 1 1 294.355 1.637 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000193551089 393373467 /nfs/dbraw/zinc/37/34/67/393373467.db2.gz LJSLGOKHKKYDIK-VIFPVBQESA-N 1 1 283.353 1.728 20 5 CDBDMO O=C(C[N@@H+](CCO)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000352459199 155200666 /nfs/dbraw/zinc/20/06/66/155200666.db2.gz VNVKGNYFHCFATC-UHFFFAOYSA-N 1 1 293.323 1.238 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997427 151988032 /nfs/dbraw/zinc/98/80/32/151988032.db2.gz FUALUFYEVRZOJS-BXUZGUMPSA-N 1 1 291.351 1.451 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCC[N@H+]1C ZINC000343449081 152181389 /nfs/dbraw/zinc/18/13/89/152181389.db2.gz OBJMMMQSGGAETI-NXEZZACHSA-N 1 1 280.328 1.146 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344029755 152395430 /nfs/dbraw/zinc/39/54/30/152395430.db2.gz AQXXZZHEPKAXEV-GXTWGEPZSA-N 1 1 294.355 1.274 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000352230841 155042663 /nfs/dbraw/zinc/04/26/63/155042663.db2.gz MLBXSSDAYIXIAO-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000352314063 155089631 /nfs/dbraw/zinc/08/96/31/155089631.db2.gz IDRYYCDOZPSCPZ-UHFFFAOYSA-N 1 1 252.318 1.556 20 5 CDBDMO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000358824535 158042155 /nfs/dbraw/zinc/04/21/55/158042155.db2.gz NGRLFQRQPVXIPC-JTQLQIEISA-N 1 1 291.311 1.453 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000358913465 158070037 /nfs/dbraw/zinc/07/00/37/158070037.db2.gz DTSBFOJQEMLIMF-LBPRGKRZSA-N 1 1 295.387 1.896 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362072343 159059785 /nfs/dbraw/zinc/05/97/85/159059785.db2.gz MJCFEMCUGDSDJB-WCQYABFASA-N 1 1 264.325 1.698 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000362595462 159189723 /nfs/dbraw/zinc/18/97/23/159189723.db2.gz CYVZXZIQJAKPAY-BXUZGUMPSA-N 1 1 291.351 1.451 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000372714537 160142853 /nfs/dbraw/zinc/14/28/53/160142853.db2.gz LEIWBGAVULNQQS-UHFFFAOYSA-N 1 1 290.327 1.431 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000374544255 160294639 /nfs/dbraw/zinc/29/46/39/160294639.db2.gz DYSRRXXINDKHRS-LBPRGKRZSA-N 1 1 272.308 1.965 20 5 CDBDMO C[N@H+](CCN1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000072024494 176309804 /nfs/dbraw/zinc/30/98/04/176309804.db2.gz FNWYLWDJWYGUSJ-UHFFFAOYSA-N 1 1 279.340 1.359 20 5 CDBDMO C[N@@H+](CCN1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000072024494 176309805 /nfs/dbraw/zinc/30/98/05/176309805.db2.gz FNWYLWDJWYGUSJ-UHFFFAOYSA-N 1 1 279.340 1.359 20 5 CDBDMO CCOCC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115517072 273700458 /nfs/dbraw/zinc/70/04/58/273700458.db2.gz NHAVOELVONGWCO-UHFFFAOYSA-N 1 1 294.355 1.457 20 5 CDBDMO CCCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292262905 276015522 /nfs/dbraw/zinc/01/55/22/276015522.db2.gz YVEJSGRJYGISFV-UHFFFAOYSA-N 1 1 279.340 1.946 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000270875108 277098322 /nfs/dbraw/zinc/09/83/22/277098322.db2.gz CYPSOJXVTAJAIV-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000270875108 277098323 /nfs/dbraw/zinc/09/83/23/277098323.db2.gz CYPSOJXVTAJAIV-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO COCCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066379185 279200621 /nfs/dbraw/zinc/20/06/21/279200621.db2.gz BZQICBJPLKCRHZ-UHFFFAOYSA-N 1 1 295.339 1.526 20 5 CDBDMO COCCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066379185 279200623 /nfs/dbraw/zinc/20/06/23/279200623.db2.gz BZQICBJPLKCRHZ-UHFFFAOYSA-N 1 1 295.339 1.526 20 5 CDBDMO C[C@H](O)CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743446 280301805 /nfs/dbraw/zinc/30/18/05/280301805.db2.gz OIPHJRQRNDDVMZ-WCQYABFASA-N 1 1 298.339 1.037 20 5 CDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCC[NH2+]C2)n1 ZINC000423189163 280377182 /nfs/dbraw/zinc/37/71/82/280377182.db2.gz MRLYJRRUBZJRKM-JHJVBQTASA-N 1 1 293.371 1.617 20 5 CDBDMO CN1C[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000555878764 290242584 /nfs/dbraw/zinc/24/25/84/290242584.db2.gz MCWCZSULCCULKD-CQSZACIVSA-N 1 1 291.351 1.690 20 5 CDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000569262167 294182896 /nfs/dbraw/zinc/18/28/96/294182896.db2.gz ZPOZQUCMIJDDPM-JTQLQIEISA-N 1 1 295.343 1.122 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000791051994 1162187753 /nfs/dbraw/zinc/18/77/53/1162187753.db2.gz JCEYQYMOANITGT-GFCCVEGCSA-N 1 1 278.308 1.871 20 5 CDBDMO COc1cc(C[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])cc1F ZINC000184216737 522347922 /nfs/dbraw/zinc/34/79/22/522347922.db2.gz OACILUVQQHYTOT-UHFFFAOYSA-N 1 1 286.303 1.945 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339431793 523856064 /nfs/dbraw/zinc/85/60/64/523856064.db2.gz VYSAMLCWYHBXJX-AWEZNQCLSA-N 1 1 293.371 1.209 20 5 CDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246633963 524111369 /nfs/dbraw/zinc/11/13/69/524111369.db2.gz BIFXOMPCFCOMSN-ZYHUDNBSSA-N 1 1 268.317 1.027 20 5 CDBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000290605657 528828823 /nfs/dbraw/zinc/82/88/23/528828823.db2.gz FEXAFBOOYZNTBA-SECBINFHSA-N 1 1 255.322 1.469 20 5 CDBDMO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295332489 528922094 /nfs/dbraw/zinc/92/20/94/528922094.db2.gz HKHQISPCQKIFJM-CQSZACIVSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295332489 528922098 /nfs/dbraw/zinc/92/20/98/528922098.db2.gz HKHQISPCQKIFJM-CQSZACIVSA-N 1 1 280.324 1.737 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342102683 535010436 /nfs/dbraw/zinc/01/04/36/535010436.db2.gz AEPLVESCKUGBIZ-UHFFFAOYSA-N 1 1 280.328 1.446 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000424117266 536488382 /nfs/dbraw/zinc/48/83/82/536488382.db2.gz YJWCTXGHDXBDBW-JOYOIKCWSA-N 1 1 278.312 1.089 20 5 CDBDMO COC(C)(C)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095134 576975515 /nfs/dbraw/zinc/97/55/15/576975515.db2.gz UTFDKTPPAQARBQ-CYBMUJFWSA-N 1 1 282.340 1.985 20 5 CDBDMO COC[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000751949281 577077578 /nfs/dbraw/zinc/07/75/78/577077578.db2.gz KHTIMSZEIKQNLT-LLVKDONJSA-N 1 1 268.317 1.476 20 5 CDBDMO COC[C@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000751949281 577077581 /nfs/dbraw/zinc/07/75/81/577077581.db2.gz KHTIMSZEIKQNLT-LLVKDONJSA-N 1 1 268.317 1.476 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000892066600 617458085 /nfs/dbraw/zinc/45/80/85/617458085.db2.gz WXDYWOGHPJZITD-VIFPVBQESA-N 1 1 284.312 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000892066600 617458086 /nfs/dbraw/zinc/45/80/86/617458086.db2.gz WXDYWOGHPJZITD-VIFPVBQESA-N 1 1 284.312 1.512 20 5 CDBDMO C[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000843191014 617665502 /nfs/dbraw/zinc/66/55/02/617665502.db2.gz ABPFZPWKQBPIRB-UHFFFAOYSA-N 1 1 262.269 1.596 20 5 CDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000893530834 618042455 /nfs/dbraw/zinc/04/24/55/618042455.db2.gz CVOCADDTFYOHEL-JTQLQIEISA-N 1 1 290.327 1.446 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000892420388 618174149 /nfs/dbraw/zinc/17/41/49/618174149.db2.gz QZJBYFOQRPXHAC-SNVBAGLBSA-N 1 1 265.317 1.225 20 5 CDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000894878911 619116586 /nfs/dbraw/zinc/11/65/86/619116586.db2.gz NDSMQIUWERRJGI-AOOOYVTPSA-N 1 1 282.731 1.926 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000894878911 619116588 /nfs/dbraw/zinc/11/65/88/619116588.db2.gz NDSMQIUWERRJGI-AOOOYVTPSA-N 1 1 282.731 1.926 20 5 CDBDMO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000223282208 619297105 /nfs/dbraw/zinc/29/71/05/619297105.db2.gz QMBSXWCSJRIZQQ-OSAQELSMSA-N 1 1 293.367 1.701 20 5 CDBDMO O=[N+]([O-])c1ccccc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895254873 619499895 /nfs/dbraw/zinc/49/98/95/619499895.db2.gz ZWSGRBDALYXHMN-UHFFFAOYSA-N 1 1 293.323 1.456 20 5 CDBDMO O=[N+]([O-])c1ccccc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895254873 619499897 /nfs/dbraw/zinc/49/98/97/619499897.db2.gz ZWSGRBDALYXHMN-UHFFFAOYSA-N 1 1 293.323 1.456 20 5 CDBDMO COCC1C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000895971968 619929672 /nfs/dbraw/zinc/92/96/72/619929672.db2.gz ZLRITWYCJKNIGA-UHFFFAOYSA-N 1 1 266.297 1.682 20 5 CDBDMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000897684251 621072582 /nfs/dbraw/zinc/07/25/82/621072582.db2.gz LRFMRVABACMMRD-YBGXSUTOSA-N 1 1 262.309 1.921 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000905048393 626385725 /nfs/dbraw/zinc/38/57/25/626385725.db2.gz LCOPIRTYRKPMNS-UHFFFAOYSA-N 1 1 279.218 1.389 20 5 CDBDMO C[N@H+]1CCC[C@H](CNCC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000905133060 626647330 /nfs/dbraw/zinc/64/73/30/626647330.db2.gz OTWUDNPJIBABAE-DGCLKSJQSA-N 1 1 283.397 1.997 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905402480 626797506 /nfs/dbraw/zinc/79/75/06/626797506.db2.gz ZMMPMOKTWJXGNA-DZGCQCFKSA-N 1 1 277.368 1.621 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000791051994 1162187751 /nfs/dbraw/zinc/18/77/51/1162187751.db2.gz JCEYQYMOANITGT-GFCCVEGCSA-N 1 1 278.308 1.871 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)C1([NH3+])CC1 ZINC001574159850 1170901559 /nfs/dbraw/zinc/90/15/59/1170901559.db2.gz XKZDEORTCNWVPE-UHFFFAOYSA-N 1 1 264.281 1.746 20 5 CDBDMO C[C@@]([NH3+])(C(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC001576086692 1171329086 /nfs/dbraw/zinc/32/90/86/1171329086.db2.gz YDQYBMNSNQYZNW-AWEZNQCLSA-N 1 1 286.291 1.802 20 5 CDBDMO CCc1[nH+]ccn1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001578685756 1171981812 /nfs/dbraw/zinc/98/18/12/1171981812.db2.gz ICLNQVIWKABMNK-UHFFFAOYSA-N 1 1 299.294 1.582 20 5 CDBDMO CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001752726537 1184901924 /nfs/dbraw/zinc/90/19/24/1184901924.db2.gz OZUNTRKXGZQFBA-YHLPPUHQSA-N 1 1 295.383 1.635 20 5 CDBDMO Cc1cc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])s1 ZINC000884825089 830034143 /nfs/dbraw/zinc/03/41/43/830034143.db2.gz DOVCCYAYWGOKRY-UHFFFAOYSA-N 1 1 259.331 1.301 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000929929305 833052725 /nfs/dbraw/zinc/05/27/25/833052725.db2.gz HKKFYUOHVKTMTO-UONOGXRCSA-N 1 1 264.325 1.851 20 5 CDBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000819259115 833243618 /nfs/dbraw/zinc/24/36/18/833243618.db2.gz TWSSZNKKULMSRB-BXKDBHETSA-N 1 1 291.311 1.108 20 5 CDBDMO Cc1noc(CO[NH+]=C(N)C2CCOCC2)c1[N+](=O)[O-] ZINC000853668283 833284554 /nfs/dbraw/zinc/28/45/54/833284554.db2.gz XSWNMMVYHXJBSA-UHFFFAOYSA-N 1 1 284.272 1.316 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000776274545 833345573 /nfs/dbraw/zinc/34/55/73/833345573.db2.gz DVBWFQSMSYYVIV-WDMOLILDSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000776274545 833345577 /nfs/dbraw/zinc/34/55/77/833345577.db2.gz DVBWFQSMSYYVIV-WDMOLILDSA-N 1 1 280.324 1.737 20 5 CDBDMO CCOc1ccc(C(=O)OCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000861385046 829195995 /nfs/dbraw/zinc/19/59/95/829195995.db2.gz KOXOJFSMFZEOAF-UHFFFAOYSA-N 1 1 294.307 1.856 20 5 CDBDMO CC[C@H](CO)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000931566819 829335520 /nfs/dbraw/zinc/33/55/20/829335520.db2.gz XOHICUZNGLKCJS-CYBMUJFWSA-N 1 1 252.314 1.536 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000886218659 833397248 /nfs/dbraw/zinc/39/72/48/833397248.db2.gz ZZOQTXYPKBXQCF-NSHDSACASA-N 1 1 265.313 1.584 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000853799875 829838783 /nfs/dbraw/zinc/83/87/83/829838783.db2.gz OUHHLDLLRJSXON-MNOVXSKESA-N 1 1 294.355 1.698 20 5 CDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000853799875 829838784 /nfs/dbraw/zinc/83/87/84/829838784.db2.gz OUHHLDLLRJSXON-MNOVXSKESA-N 1 1 294.355 1.698 20 5 CDBDMO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000930968222 829949210 /nfs/dbraw/zinc/94/92/10/829949210.db2.gz BSOLFOJDOGEJFZ-GFCCVEGCSA-N 1 1 254.286 1.249 20 5 CDBDMO C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847963619 830220028 /nfs/dbraw/zinc/22/00/28/830220028.db2.gz SABCZECKTYAVDD-GMTAPVOTSA-N 1 1 256.302 1.069 20 5 CDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC[N+](=O)[O-] ZINC000791053822 830391347 /nfs/dbraw/zinc/39/13/47/830391347.db2.gz HRDCYEUBAFLCQE-UHFFFAOYSA-N 1 1 265.357 1.763 20 5 CDBDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000791053822 830391354 /nfs/dbraw/zinc/39/13/54/830391354.db2.gz HRDCYEUBAFLCQE-UHFFFAOYSA-N 1 1 265.357 1.763 20 5 CDBDMO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568137 830438469 /nfs/dbraw/zinc/43/84/69/830438469.db2.gz NQRZXNHAALHCGA-WUHRBBMRSA-N 1 1 297.399 1.524 20 5 CDBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870877783 830552526 /nfs/dbraw/zinc/55/25/26/830552526.db2.gz NSURRYNIGLLPKC-QMTHXVAHSA-N 1 1 277.324 1.637 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCCC1=O ZINC000800866218 830773200 /nfs/dbraw/zinc/77/32/00/830773200.db2.gz BUGAFZQMQZNQOB-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCCC1=O ZINC000800866218 830773233 /nfs/dbraw/zinc/77/32/33/830773233.db2.gz BUGAFZQMQZNQOB-UHFFFAOYSA-N 1 1 277.324 1.649 20 5 CDBDMO COCC[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000790479688 833838483 /nfs/dbraw/zinc/83/84/83/833838483.db2.gz QMZKPNJHEXOFDC-RYUDHWBXSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000790479688 833838484 /nfs/dbraw/zinc/83/84/84/833838484.db2.gz QMZKPNJHEXOFDC-RYUDHWBXSA-N 1 1 282.344 1.886 20 5 CDBDMO CCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814177547 833854308 /nfs/dbraw/zinc/85/43/08/833854308.db2.gz GXAOJKJKPAPQOF-UHFFFAOYSA-N 1 1 285.731 1.946 20 5 CDBDMO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814177547 833854309 /nfs/dbraw/zinc/85/43/09/833854309.db2.gz GXAOJKJKPAPQOF-UHFFFAOYSA-N 1 1 285.731 1.946 20 5 CDBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC000884633001 832587433 /nfs/dbraw/zinc/58/74/33/832587433.db2.gz NFDZGHUWQWWEAS-ZIAGYGMSSA-N 1 1 289.291 1.339 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171961508 832922540 /nfs/dbraw/zinc/92/25/40/832922540.db2.gz KQBHFSQHSNIEPM-SNVBAGLBSA-N 1 1 295.314 1.692 20 5 CDBDMO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644482 834047605 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C[N@H+](CC(=O)OCC(C)(C)[N+](=O)[O-])[C@H]1CCSC1 ZINC000851127168 835639366 /nfs/dbraw/zinc/63/93/66/835639366.db2.gz KYQJWEXZYUKAIS-VIFPVBQESA-N 1 1 276.358 1.022 20 5 CDBDMO C[N@@H+](CC(=O)OCC(C)(C)[N+](=O)[O-])[C@H]1CCSC1 ZINC000851127168 835639369 /nfs/dbraw/zinc/63/93/69/835639369.db2.gz KYQJWEXZYUKAIS-VIFPVBQESA-N 1 1 276.358 1.022 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C[C@H]1C ZINC001173225262 912313819 /nfs/dbraw/zinc/31/38/19/912313819.db2.gz JCESUBRVLGZMMD-JTNHKYCSSA-N 1 1 264.325 1.981 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCn2ncnc2C1 ZINC001173225405 912317439 /nfs/dbraw/zinc/31/74/39/912317439.db2.gz JSQMEJNNTPCOEB-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCn2ncnc2C1 ZINC001173225405 912317453 /nfs/dbraw/zinc/31/74/53/912317453.db2.gz JSQMEJNNTPCOEB-NSHDSACASA-N 1 1 287.323 1.633 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2nc(OC)ccc2[N+](=O)[O-])C1 ZINC001234875130 913860407 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CDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000594715033 342946717 /nfs/dbraw/zinc/94/67/17/342946717.db2.gz XHLUWGTWVDZQQM-NSHDSACASA-N 1 1 282.344 1.370 20 5 CDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075021217 342306635 /nfs/dbraw/zinc/30/66/35/342306635.db2.gz LGINNPRIFUQOIZ-NTZNESFSSA-N 1 1 282.344 1.415 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000230379954 349777265 /nfs/dbraw/zinc/77/72/65/349777265.db2.gz AUNCUKUXIWIIIJ-CYBMUJFWSA-N 1 1 282.344 1.337 20 5 CDBDMO Cc1noc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000595455420 343067760 /nfs/dbraw/zinc/06/77/60/343067760.db2.gz UAKWNYQZFWMDAB-LDYMZIIASA-N 1 1 255.274 1.548 20 5 CDBDMO CC[C@]1(CO)CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595457201 343068221 /nfs/dbraw/zinc/06/82/21/343068221.db2.gz BVGLSLXXTVNPDC-GFCCVEGCSA-N 1 1 269.301 1.628 20 5 CDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268877 342320362 /nfs/dbraw/zinc/32/03/62/342320362.db2.gz MMEHOIUJDRFNHO-NXEZZACHSA-N 1 1 294.359 1.499 20 5 CDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000290100854 362081402 /nfs/dbraw/zinc/08/14/02/362081402.db2.gz IQTMXQUEXWYBKC-JQWIXIFHSA-N 1 1 252.270 1.098 20 5 CDBDMO COCC[N@H+]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116612 343231966 /nfs/dbraw/zinc/23/19/66/343231966.db2.gz ODDSKBZSZSSRGW-SNVBAGLBSA-N 1 1 296.327 1.218 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084344 282239264 /nfs/dbraw/zinc/23/92/64/282239264.db2.gz DUHOAJUMPLDXAD-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000535084344 282239269 /nfs/dbraw/zinc/23/92/69/282239269.db2.gz DUHOAJUMPLDXAD-UWVGGRQHSA-N 1 1 280.328 1.098 20 5 CDBDMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000093483712 342428979 /nfs/dbraw/zinc/42/89/79/342428979.db2.gz LEOKDEOONKQCQL-OKILXGFUSA-N 1 1 280.324 1.256 20 5 CDBDMO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000093483712 342428980 /nfs/dbraw/zinc/42/89/80/342428980.db2.gz LEOKDEOONKQCQL-OKILXGFUSA-N 1 1 280.324 1.256 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295005372 199296256 /nfs/dbraw/zinc/29/62/56/199296256.db2.gz RXKKYDWVBXJNTP-ZDUSSCGKSA-N 1 1 279.340 1.854 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922647 343662490 /nfs/dbraw/zinc/66/24/90/343662490.db2.gz JYCJRBIHBQYXQT-SECBINFHSA-N 1 1 295.343 1.229 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598648522 343857255 /nfs/dbraw/zinc/85/72/55/343857255.db2.gz TYZIEUVPASTERA-WCBMZHEXSA-N 1 1 269.301 1.342 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000598648522 343857258 /nfs/dbraw/zinc/85/72/58/343857258.db2.gz TYZIEUVPASTERA-WCBMZHEXSA-N 1 1 269.301 1.342 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000612108272 347023403 /nfs/dbraw/zinc/02/34/03/347023403.db2.gz VHAQYTPGSCOXRN-UPJWGTAASA-N 1 1 292.335 1.819 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCn1cc[nH+]c1C1CC1 ZINC000601918846 344291727 /nfs/dbraw/zinc/29/17/27/344291727.db2.gz ZPZMAXNQDYMMOI-UHFFFAOYSA-N 1 1 261.285 1.874 20 5 CDBDMO Cc1c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601973924 344301525 /nfs/dbraw/zinc/30/15/25/344301525.db2.gz DYJASTHEUVUOFP-BETUJISGSA-N 1 1 262.309 1.981 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000602801111 344590654 /nfs/dbraw/zinc/59/06/54/344590654.db2.gz ZUUADOHEEMDOPQ-QWRGUYRKSA-N 1 1 281.360 1.124 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000602800353 344590810 /nfs/dbraw/zinc/59/08/10/344590810.db2.gz LPPWBYXFSLGVLI-OLZOCXBDSA-N 1 1 294.355 1.458 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159725310 362511156 /nfs/dbraw/zinc/51/11/56/362511156.db2.gz CVKOELGMMRBLJA-UHFFFAOYSA-N 1 1 287.319 1.889 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344222207 362556516 /nfs/dbraw/zinc/55/65/16/362556516.db2.gz PPOMLUJFKMHFDC-LLVKDONJSA-N 1 1 293.298 1.700 20 5 CDBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609670948 345988735 /nfs/dbraw/zinc/98/87/35/345988735.db2.gz UDEXXGSSAVUOPL-UHFFFAOYSA-N 1 1 299.396 1.939 20 5 CDBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610276522 346240724 /nfs/dbraw/zinc/24/07/24/346240724.db2.gz GMKYXDCWINQADK-UHFFFAOYSA-N 1 1 285.369 1.815 20 5 CDBDMO Cn1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1=O ZINC000051383375 346314062 /nfs/dbraw/zinc/31/40/62/346314062.db2.gz BYCXFIJLTWUFIE-UHFFFAOYSA-N 1 1 287.319 1.926 20 5 CDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1C1CC1 ZINC000133534789 362763781 /nfs/dbraw/zinc/76/37/81/362763781.db2.gz IZCSFWGORUOIHQ-YUMQZZPRSA-N 1 1 278.316 1.004 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088400 346604989 /nfs/dbraw/zinc/60/49/89/346604989.db2.gz TTYHDVFMVSUZSY-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088400 346604994 /nfs/dbraw/zinc/60/49/94/346604994.db2.gz TTYHDVFMVSUZSY-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO CC[N@H+]1C[C@@H](C)N(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000611222046 346696226 /nfs/dbraw/zinc/69/62/26/346696226.db2.gz PWKFTLDEXJTQJU-WDEREUQCSA-N 1 1 264.329 1.909 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066958631 347548311 /nfs/dbraw/zinc/54/83/11/347548311.db2.gz NKGYQINSVWBCPG-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554132 362937042 /nfs/dbraw/zinc/93/70/42/362937042.db2.gz GIQCNBHJWVFLCP-SECBINFHSA-N 1 1 281.287 1.415 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072713008 349129782 /nfs/dbraw/zinc/12/97/82/349129782.db2.gz CQRHBULFKLUPLM-MNOVXSKESA-N 1 1 295.339 1.625 20 5 CDBDMO C[C@@H]1C[C@@H]([NH3+])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000124624338 351359176 /nfs/dbraw/zinc/35/91/76/351359176.db2.gz GZHVSWXGLBPOAC-YPMHNXCESA-N 1 1 263.341 1.949 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000122615132 187040986 /nfs/dbraw/zinc/04/09/86/187040986.db2.gz UPDWYDZJAYOLCM-NEPJUHHUSA-N 1 1 279.340 1.734 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516528833 363132336 /nfs/dbraw/zinc/13/23/36/363132336.db2.gz UPOOCJJHDLAXPB-UHFFFAOYSA-N 1 1 287.323 1.640 20 5 CDBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153471236 188084127 /nfs/dbraw/zinc/08/41/27/188084127.db2.gz ZQZYBNDBGOEZFU-ZDUSSCGKSA-N 1 1 291.351 1.690 20 5 CDBDMO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153466639 188084519 /nfs/dbraw/zinc/08/45/19/188084519.db2.gz HDOVIIRNHOURIN-NSHDSACASA-N 1 1 277.324 1.761 20 5 CDBDMO C[C@@H](O)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000156345535 188256667 /nfs/dbraw/zinc/25/66/67/188256667.db2.gz VDKZSGJSTCGSDG-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO C[C@@H](O)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000156345535 188256668 /nfs/dbraw/zinc/25/66/68/188256668.db2.gz VDKZSGJSTCGSDG-SECBINFHSA-N 1 1 292.295 1.457 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116174 188297911 /nfs/dbraw/zinc/29/79/11/188297911.db2.gz ZTKPJIZTUACAII-NSHDSACASA-N 1 1 263.297 1.210 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279821038 363308467 /nfs/dbraw/zinc/30/84/67/363308467.db2.gz QLHBWWXNNBTHIL-GFCCVEGCSA-N 1 1 250.298 1.798 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000290788022 358493930 /nfs/dbraw/zinc/49/39/30/358493930.db2.gz XDOZUOCMGFRCFZ-MRVPVSSYSA-N 1 1 268.321 1.108 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273021412 192021589 /nfs/dbraw/zinc/02/15/89/192021589.db2.gz UAMAWJHYRMAOIL-NSHDSACASA-N 1 1 289.335 1.975 20 5 CDBDMO CC(C)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131880497 356292627 /nfs/dbraw/zinc/29/26/27/356292627.db2.gz BBBJKCGKPNZGRI-UHFFFAOYSA-N 1 1 295.314 1.900 20 5 CDBDMO CN(c1ncc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286448815 356422720 /nfs/dbraw/zinc/42/27/20/356422720.db2.gz RUFSIZJLLNDOKP-ZACCUICWSA-N 1 1 277.328 1.446 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000048579949 356959166 /nfs/dbraw/zinc/95/91/66/356959166.db2.gz JWNWXZMJDOOGIO-UHFFFAOYSA-N 1 1 263.297 1.875 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408071757 357281954 /nfs/dbraw/zinc/28/19/54/357281954.db2.gz LIUJXKDSGMRVEU-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408071757 357281957 /nfs/dbraw/zinc/28/19/57/357281957.db2.gz LIUJXKDSGMRVEU-WDEREUQCSA-N 1 1 277.324 1.759 20 5 CDBDMO Cc1c([C@@H](C)[NH2+]Cc2cnnn2C)cccc1[N+](=O)[O-] ZINC000287162641 358112125 /nfs/dbraw/zinc/11/21/25/358112125.db2.gz BUIABCDASCHTBJ-SNVBAGLBSA-N 1 1 275.312 1.883 20 5 CDBDMO C[C@H](O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361506051 358244689 /nfs/dbraw/zinc/24/46/89/358244689.db2.gz AIMUEXASOPCNSD-QMMMGPOBSA-N 1 1 264.285 1.284 20 5 CDBDMO C[C@H](O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361506051 358244692 /nfs/dbraw/zinc/24/46/92/358244692.db2.gz AIMUEXASOPCNSD-QMMMGPOBSA-N 1 1 264.285 1.284 20 5 CDBDMO Cc1cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450791009 359005913 /nfs/dbraw/zinc/00/59/13/359005913.db2.gz LLGNVYDUNYAQRM-TXEJJXNPSA-N 1 1 292.339 1.573 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000299928048 359083541 /nfs/dbraw/zinc/08/35/41/359083541.db2.gz CLCMCCQDIYMERV-DTWKUNHWSA-N 1 1 284.341 1.326 20 5 CDBDMO CC(C)(C)NC(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000049900516 359522206 /nfs/dbraw/zinc/52/22/06/359522206.db2.gz WKYMFTXUXLRHDV-UHFFFAOYSA-N 1 1 265.313 1.599 20 5 CDBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000571744076 359608743 /nfs/dbraw/zinc/60/87/43/359608743.db2.gz XXLZQFRJFIBIQE-CMPLNLGQSA-N 1 1 296.323 1.879 20 5 CDBDMO Cc1nn(C)c(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000226230900 359813281 /nfs/dbraw/zinc/81/32/81/359813281.db2.gz CJMKRAXZENNQGA-UHFFFAOYSA-N 1 1 285.373 1.097 20 5 CDBDMO CC[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267907113 363674434 /nfs/dbraw/zinc/67/44/34/363674434.db2.gz AKVPQFSPKVTEKO-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000075676263 359913929 /nfs/dbraw/zinc/91/39/29/359913929.db2.gz OFLOOEOZBCVKJQ-ZDUSSCGKSA-N 1 1 294.355 1.273 20 5 CDBDMO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CCC2)C1 ZINC000572338652 360372519 /nfs/dbraw/zinc/37/25/19/360372519.db2.gz NKFHGUZSWZECFW-LLVKDONJSA-N 1 1 293.371 1.639 20 5 CDBDMO COc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000075783596 360463464 /nfs/dbraw/zinc/46/34/64/360463464.db2.gz AAPPEZREPWTBPO-SNVBAGLBSA-N 1 1 268.313 1.806 20 5 CDBDMO COc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000075783594 360464037 /nfs/dbraw/zinc/46/40/37/360464037.db2.gz AAPPEZREPWTBPO-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO CNC(=O)CC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179408370 189192830 /nfs/dbraw/zinc/19/28/30/189192830.db2.gz QBPODRSFFSLTSB-FNORWQNLSA-N 1 1 277.324 1.676 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000301756671 201180928 /nfs/dbraw/zinc/18/09/28/201180928.db2.gz LAOWZXTVKATHSP-GWCFXTLKSA-N 1 1 265.313 1.726 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301756671 201180932 /nfs/dbraw/zinc/18/09/32/201180932.db2.gz LAOWZXTVKATHSP-GWCFXTLKSA-N 1 1 265.313 1.726 20 5 CDBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000192465436 361680200 /nfs/dbraw/zinc/68/02/00/361680200.db2.gz QRXFZZICYQGKSY-UHFFFAOYSA-N 1 1 274.346 1.432 20 5 CDBDMO CCc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(C)[nH+]1 ZINC000302061080 201324719 /nfs/dbraw/zinc/32/47/19/201324719.db2.gz BLNYKNHVGUUQSV-UHFFFAOYSA-N 1 1 276.300 1.564 20 5 CDBDMO CC[C@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429476 364692869 /nfs/dbraw/zinc/69/28/69/364692869.db2.gz YUARZVCDOASBBU-RISCZKNCSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC000270928580 366946608 /nfs/dbraw/zinc/94/66/08/366946608.db2.gz PRXHRHVSRRSUAR-UHFFFAOYSA-N 1 1 267.285 1.354 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC000270928580 366946613 /nfs/dbraw/zinc/94/66/13/366946613.db2.gz PRXHRHVSRRSUAR-UHFFFAOYSA-N 1 1 267.285 1.354 20 5 CDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090517088 367470424 /nfs/dbraw/zinc/47/04/24/367470424.db2.gz WGNDUPZTUDZUKQ-UHFFFAOYSA-N 1 1 267.329 1.734 20 5 CDBDMO O=[N+]([O-])c1ccc(CNCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000414873489 368528364 /nfs/dbraw/zinc/52/83/64/368528364.db2.gz XRRMSSZJGWSYJZ-UHFFFAOYSA-N 1 1 298.774 1.243 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000330620170 203046524 /nfs/dbraw/zinc/04/65/24/203046524.db2.gz JEYWNUISWVVQMG-LBPRGKRZSA-N 1 1 282.365 1.895 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000330620170 203046526 /nfs/dbraw/zinc/04/65/26/203046526.db2.gz JEYWNUISWVVQMG-LBPRGKRZSA-N 1 1 282.365 1.895 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330666382 203094726 /nfs/dbraw/zinc/09/47/26/203094726.db2.gz ICGYTYMESLPDPQ-GFCCVEGCSA-N 1 1 279.340 1.610 20 5 CDBDMO CN1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1=O ZINC000344618575 369368254 /nfs/dbraw/zinc/36/82/54/369368254.db2.gz VPILXJOAHUYTRG-SECBINFHSA-N 1 1 269.326 1.367 20 5 CDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C)CC1 ZINC000276459550 193339623 /nfs/dbraw/zinc/33/96/23/193339623.db2.gz WFFPEVNNGKEOOS-UHFFFAOYSA-N 1 1 292.339 1.991 20 5 CDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000266336026 372555464 /nfs/dbraw/zinc/55/54/64/372555464.db2.gz ZKYNYOIQZMXHAH-LLVKDONJSA-N 1 1 294.355 1.727 20 5 CDBDMO C[N@@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000059035229 373042919 /nfs/dbraw/zinc/04/29/19/373042919.db2.gz DSZGVEMBAFUDFB-UHFFFAOYSA-N 1 1 281.341 1.810 20 5 CDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000347072964 373289777 /nfs/dbraw/zinc/28/97/77/373289777.db2.gz ZSIABCOYLOOCMP-SNVBAGLBSA-N 1 1 280.328 1.385 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091672892 374098948 /nfs/dbraw/zinc/09/89/48/374098948.db2.gz PYASEPOENMUAGQ-ZIAGYGMSSA-N 1 1 277.324 1.870 20 5 CDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000312178060 374279027 /nfs/dbraw/zinc/27/90/27/374279027.db2.gz ORJBCGADEKTZPX-UTCJRWHESA-N 1 1 285.250 1.318 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000368638075 374321882 /nfs/dbraw/zinc/32/18/82/374321882.db2.gz LVACOFWWZCBBDS-GFCCVEGCSA-N 1 1 294.355 1.577 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000368638075 374321889 /nfs/dbraw/zinc/32/18/89/374321889.db2.gz LVACOFWWZCBBDS-GFCCVEGCSA-N 1 1 294.355 1.577 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000423691217 374394430 /nfs/dbraw/zinc/39/44/30/374394430.db2.gz POIAGXSMGYXWMJ-CQSZACIVSA-N 1 1 295.314 1.677 20 5 CDBDMO CO[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1C ZINC000342739026 374426148 /nfs/dbraw/zinc/42/61/48/374426148.db2.gz OFDZXKREGCLQBT-GXSJLCMTSA-N 1 1 268.317 1.185 20 5 CDBDMO CO[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1C ZINC000342739026 374426153 /nfs/dbraw/zinc/42/61/53/374426153.db2.gz OFDZXKREGCLQBT-GXSJLCMTSA-N 1 1 268.317 1.185 20 5 CDBDMO CC(C)[C@]1(CO)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377653214 374614425 /nfs/dbraw/zinc/61/44/25/374614425.db2.gz PAFXYDPMWNWELB-CYBMUJFWSA-N 1 1 282.344 1.132 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360718 374747837 /nfs/dbraw/zinc/74/78/37/374747837.db2.gz QCKLXMDBOCGEBZ-ZDUSSCGKSA-N 1 1 291.351 1.861 20 5 CDBDMO CCOc1cc(C[N@H+](CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276912169 374759036 /nfs/dbraw/zinc/75/90/36/374759036.db2.gz NPWPNFWBVFFACC-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO CCOc1cc(C[N@@H+](CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276912169 374759043 /nfs/dbraw/zinc/75/90/43/374759043.db2.gz NPWPNFWBVFFACC-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278173684 374832517 /nfs/dbraw/zinc/83/25/17/374832517.db2.gz GDKJDPGUDLIZEG-UHFFFAOYSA-N 1 1 294.311 1.641 20 5 CDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331289420 374921673 /nfs/dbraw/zinc/92/16/73/374921673.db2.gz NYHBPEZXYBPZKS-NQBHXWOUSA-N 1 1 282.344 1.273 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331464184 374958395 /nfs/dbraw/zinc/95/83/95/374958395.db2.gz HIPJMNKQYXKBLD-NSHDSACASA-N 1 1 289.335 1.870 20 5 CDBDMO NC(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280092228 374982715 /nfs/dbraw/zinc/98/27/15/374982715.db2.gz ADQFUEKHIKPWSZ-UHFFFAOYSA-N 1 1 290.323 1.368 20 5 CDBDMO C[C@@]1(O)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332175180 375012116 /nfs/dbraw/zinc/01/21/16/375012116.db2.gz COOOCJINZVDXOI-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332175180 375012121 /nfs/dbraw/zinc/01/21/21/375012121.db2.gz COOOCJINZVDXOI-CQSZACIVSA-N 1 1 290.323 1.818 20 5 CDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000299556302 375181860 /nfs/dbraw/zinc/18/18/60/375181860.db2.gz RNMRBMBCCARLMP-CYBMUJFWSA-N 1 1 292.339 1.217 20 5 CDBDMO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150277 375559363 /nfs/dbraw/zinc/55/93/63/375559363.db2.gz TWQHZTYIROBAAP-GWCFXTLKSA-N 1 1 267.329 1.168 20 5 CDBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057718505 375565686 /nfs/dbraw/zinc/56/56/86/375565686.db2.gz XIMQBUQVERNMQR-VIFPVBQESA-N 1 1 292.339 1.390 20 5 CDBDMO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000603435233 375566581 /nfs/dbraw/zinc/56/65/81/375566581.db2.gz WEEWHRHSCZILEM-OLZOCXBDSA-N 1 1 279.340 1.689 20 5 CDBDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344943924 375664839 /nfs/dbraw/zinc/66/48/39/375664839.db2.gz XJHBIBPPGNBSIX-GFCCVEGCSA-N 1 1 292.339 1.407 20 5 CDBDMO C[C@H](O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728717 375746038 /nfs/dbraw/zinc/74/60/38/375746038.db2.gz IHLWJUSZDZHNPE-RYUDHWBXSA-N 1 1 294.355 1.637 20 5 CDBDMO Cc1nn(C)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000133522772 375794469 /nfs/dbraw/zinc/79/44/69/375794469.db2.gz FHMOIKYRYZGUHR-WPRPVWTQSA-N 1 1 279.344 1.674 20 5 CDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000267059736 376627683 /nfs/dbraw/zinc/62/76/83/376627683.db2.gz IFVYTBMPPIERAP-JTQLQIEISA-N 1 1 252.318 1.912 20 5 CDBDMO COc1ccc(CN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000435226658 248158093 /nfs/dbraw/zinc/15/80/93/248158093.db2.gz AJGDYERWIANTSH-UHFFFAOYSA-N 1 1 279.340 1.741 20 5 CDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000354434886 377693290 /nfs/dbraw/zinc/69/32/90/377693290.db2.gz QKMWTSCITNUTPP-MNOVXSKESA-N 1 1 294.355 1.868 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CO)C1 ZINC000266915716 378672768 /nfs/dbraw/zinc/67/27/68/378672768.db2.gz KLFFTJLRJWFWEN-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CO)C1 ZINC000266915716 378672776 /nfs/dbraw/zinc/67/27/76/378672776.db2.gz KLFFTJLRJWFWEN-QWRGUYRKSA-N 1 1 293.323 1.236 20 5 CDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])s2)[nH+]1 ZINC000443523529 250038173 /nfs/dbraw/zinc/03/81/73/250038173.db2.gz PKCYBUVDYDYABE-UHFFFAOYSA-N 1 1 279.325 1.701 20 5 CDBDMO Cc1nc(N(C)[C@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333278 251228625 /nfs/dbraw/zinc/22/86/25/251228625.db2.gz GGLWWGWPAHSCIW-NSHDSACASA-N 1 1 277.328 1.366 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CC)CC1 ZINC000288606266 197125487 /nfs/dbraw/zinc/12/54/87/197125487.db2.gz OIWFNMVEMHBADB-UHFFFAOYSA-N 1 1 267.333 1.262 20 5 CDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186919620 390156310 /nfs/dbraw/zinc/15/63/10/390156310.db2.gz YJBUAZBMIUZIKB-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186919620 390156312 /nfs/dbraw/zinc/15/63/12/390156312.db2.gz YJBUAZBMIUZIKB-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO CCN(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336808803 390200128 /nfs/dbraw/zinc/20/01/28/390200128.db2.gz CZHRDAXXEGNZCZ-UHFFFAOYSA-N 1 1 269.276 1.302 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568998 390631505 /nfs/dbraw/zinc/63/15/05/390631505.db2.gz SFJWSEZYIXLEFB-NSHDSACASA-N 1 1 282.344 1.538 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280805071 391474748 /nfs/dbraw/zinc/47/47/48/391474748.db2.gz SMGMEHRUQAKZJX-QMTHXVAHSA-N 1 1 277.324 1.853 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000357625378 391940058 /nfs/dbraw/zinc/94/00/58/391940058.db2.gz VXZBVRCRLDQYOL-NEPJUHHUSA-N 1 1 281.287 1.253 20 5 CDBDMO N[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319653 392960119 /nfs/dbraw/zinc/96/01/19/392960119.db2.gz LUFYKNIKHKWHLH-JHJVBQTASA-N 1 1 293.371 1.602 20 5 CDBDMO C[C@H](NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423318034 392960876 /nfs/dbraw/zinc/96/08/76/392960876.db2.gz COOJLTJRZOBNMU-QMMMGPOBSA-N 1 1 259.256 1.839 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(F)(F)C[NH3+] ZINC000423550595 392963608 /nfs/dbraw/zinc/96/36/08/392963608.db2.gz SXUJQZAXJZMCCU-UHFFFAOYSA-N 1 1 287.266 1.535 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000430199668 393090826 /nfs/dbraw/zinc/09/08/26/393090826.db2.gz DDLUOEUAJGZLOY-LEWSCRJBSA-N 1 1 292.335 1.806 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916834 393057620 /nfs/dbraw/zinc/05/76/20/393057620.db2.gz QSBXFOGALJSXNE-JTQLQIEISA-N 1 1 292.339 1.249 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278699069 393143352 /nfs/dbraw/zinc/14/33/52/393143352.db2.gz IGMIEZQKRSEQTJ-TXEJJXNPSA-N 1 1 261.325 1.901 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183571346 140027474 /nfs/dbraw/zinc/02/74/74/140027474.db2.gz DBHJLRNXKZVTBM-UHFFFAOYSA-N 1 1 295.343 1.843 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186880385 140072181 /nfs/dbraw/zinc/07/21/81/140072181.db2.gz MJUXZVBRHIDRKI-RISCZKNCSA-N 1 1 280.324 1.676 20 5 CDBDMO Cc1[nH+]ccn1CCCn1cccc([N+](=O)[O-])c1=O ZINC000352551424 155265668 /nfs/dbraw/zinc/26/56/68/155265668.db2.gz XRJSKPIPNJUWSI-UHFFFAOYSA-N 1 1 262.269 1.352 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCCC[C@H]1C ZINC000343071562 152020861 /nfs/dbraw/zinc/02/08/61/152020861.db2.gz FTPINOSKRMRRAG-MNOVXSKESA-N 1 1 294.355 1.916 20 5 CDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343249026 152084726 /nfs/dbraw/zinc/08/47/26/152084726.db2.gz BWWYAJCXDCBNJH-UWVGGRQHSA-N 1 1 278.312 1.280 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343422222 152167083 /nfs/dbraw/zinc/16/70/83/152167083.db2.gz CFOOSGLPSZIXPX-WCBMZHEXSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343571687 152228364 /nfs/dbraw/zinc/22/83/64/152228364.db2.gz ZXDSEHXYCOFGHG-ZJUUUORDSA-N 1 1 250.302 1.884 20 5 CDBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999360 152383577 /nfs/dbraw/zinc/38/35/77/152383577.db2.gz SVRWFSIFLCSQSS-VIFPVBQESA-N 1 1 270.358 1.760 20 5 CDBDMO C[C@@H]1[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCC12CCOCC2 ZINC000375238052 160356118 /nfs/dbraw/zinc/35/61/18/160356118.db2.gz PWKGLAAFRBJQDE-NSHDSACASA-N 1 1 294.355 1.719 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362072110 159059445 /nfs/dbraw/zinc/05/94/45/159059445.db2.gz KORGDFQEMLHZOP-ZYHUDNBSSA-N 1 1 280.324 1.664 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000363668323 159339138 /nfs/dbraw/zinc/33/91/38/159339138.db2.gz DLYSQGFIAQGWCV-UHFFFAOYSA-N 1 1 293.371 1.389 20 5 CDBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000374543211 160294428 /nfs/dbraw/zinc/29/44/28/160294428.db2.gz ZVESQRSCZIKSNW-LBPRGKRZSA-N 1 1 272.308 1.965 20 5 CDBDMO C[N@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563103 175206827 /nfs/dbraw/zinc/20/68/27/175206827.db2.gz SQGGSQKOWOTGES-SNVBAGLBSA-N 1 1 250.302 1.886 20 5 CDBDMO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000286465669 196613309 /nfs/dbraw/zinc/61/33/09/196613309.db2.gz VJCFNUPVWMVGQS-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000286465669 196613311 /nfs/dbraw/zinc/61/33/11/196613311.db2.gz VJCFNUPVWMVGQS-MRVPVSSYSA-N 1 1 256.331 1.582 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000517790572 260306905 /nfs/dbraw/zinc/30/69/05/260306905.db2.gz VNWNWHZRZPTBFW-SECBINFHSA-N 1 1 283.332 1.168 20 5 CDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804667 262366695 /nfs/dbraw/zinc/36/66/95/262366695.db2.gz IJVLKWYTKFSVDW-NSHDSACASA-N 1 1 277.324 1.666 20 5 CDBDMO Cc1[nH+]ccn1CCCNc1c([N+](=O)[O-])ncn1C ZINC000266242546 270313511 /nfs/dbraw/zinc/31/35/11/270313511.db2.gz LRRVUXQNALFQJE-UHFFFAOYSA-N 1 1 264.289 1.335 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000295187957 279166872 /nfs/dbraw/zinc/16/68/72/279166872.db2.gz ILZNFPMUBFATDB-CYBMUJFWSA-N 1 1 299.277 1.508 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090553972 279279332 /nfs/dbraw/zinc/27/93/32/279279332.db2.gz MGWGTKIHOWGRNU-JTQLQIEISA-N 1 1 253.302 1.487 20 5 CDBDMO CC(C)[NH+]1CC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556715606 290287028 /nfs/dbraw/zinc/28/70/28/290287028.db2.gz YYUCYXAEPMVPNV-NSHDSACASA-N 1 1 291.351 1.907 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+](C2CC2)C1 ZINC000568719271 294086810 /nfs/dbraw/zinc/08/68/10/294086810.db2.gz UPCQPAYQLFGWEN-NSHDSACASA-N 1 1 276.340 1.910 20 5 CDBDMO C[NH+](C)[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001120469770 1161021582 /nfs/dbraw/zinc/02/15/82/1161021582.db2.gz WOMQGBJNHQACBK-LSDHHAIUSA-N 1 1 293.367 1.558 20 5 CDBDMO CC(C)[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000085860999 519648902 /nfs/dbraw/zinc/64/89/02/519648902.db2.gz HJAGVNSFXSLESF-UHFFFAOYSA-N 1 1 295.339 1.260 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338434388 521072113 /nfs/dbraw/zinc/07/21/13/521072113.db2.gz ANZVUZRNEWGOMZ-UHFFFAOYSA-N 1 1 277.324 1.809 20 5 CDBDMO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000339312895 521746594 /nfs/dbraw/zinc/74/65/94/521746594.db2.gz BKGKMXIAJKABAT-CYBMUJFWSA-N 1 1 297.330 1.984 20 5 CDBDMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)C1CC1 ZINC000068913359 524753284 /nfs/dbraw/zinc/75/32/84/524753284.db2.gz DQEPLNBXBHDPCR-QMMMGPOBSA-N 1 1 253.306 1.223 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000068806811 525570146 /nfs/dbraw/zinc/57/01/46/525570146.db2.gz OQOFTLMCDQZCOH-ZDUSSCGKSA-N 1 1 278.356 1.561 20 5 CDBDMO CCOC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269079341 535671191 /nfs/dbraw/zinc/67/11/91/535671191.db2.gz DNPBQEVYBVLTKN-HNNXBMFYSA-N 1 1 294.351 1.957 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177012 536472071 /nfs/dbraw/zinc/47/20/71/536472071.db2.gz ISQZXKIEJCULGQ-CMPLNLGQSA-N 1 1 292.339 1.479 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000726624357 574502490 /nfs/dbraw/zinc/50/24/90/574502490.db2.gz FUDLOQUTZGBXIA-UHFFFAOYSA-N 1 1 294.355 1.637 20 5 CDBDMO C[N@H+]1CC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729263847 574742637 /nfs/dbraw/zinc/74/26/37/574742637.db2.gz LTDWPICALGYBJY-SNVBAGLBSA-N 1 1 275.312 1.606 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000773197404 575790249 /nfs/dbraw/zinc/79/02/49/575790249.db2.gz JVJJWFQKJSWLSO-SNVBAGLBSA-N 1 1 295.314 1.948 20 5 CDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000746384315 576774128 /nfs/dbraw/zinc/77/41/28/576774128.db2.gz YHWIZPARDKVUFS-ZDUSSCGKSA-N 1 1 293.371 1.413 20 5 CDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748128799 576896707 /nfs/dbraw/zinc/89/67/07/576896707.db2.gz MJUAWUSMRDSZNN-LLVKDONJSA-N 1 1 296.327 1.209 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000748128799 576896709 /nfs/dbraw/zinc/89/67/09/576896709.db2.gz MJUAWUSMRDSZNN-LLVKDONJSA-N 1 1 296.327 1.209 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000750035929 576972806 /nfs/dbraw/zinc/97/28/06/576972806.db2.gz MJVXJDHTINPSDR-CQSZACIVSA-N 1 1 280.324 1.333 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1ccc2nonc2c1[N+](=O)[O-] ZINC000893231834 617476963 /nfs/dbraw/zinc/47/69/63/617476963.db2.gz XJCQSRGZWZFDJU-UHFFFAOYSA-N 1 1 291.311 1.661 20 5 CDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1O ZINC000892242004 617573403 /nfs/dbraw/zinc/57/34/03/617573403.db2.gz NNMDJMRLVZPLKZ-BXKDBHETSA-N 1 1 296.323 1.512 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]2CO)cc1 ZINC000934027026 617851832 /nfs/dbraw/zinc/85/18/32/617851832.db2.gz PZMQUTQDDCOXKY-NSHDSACASA-N 1 1 252.270 1.040 20 5 CDBDMO CCOCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893427519 617869799 /nfs/dbraw/zinc/86/97/99/617869799.db2.gz MEESPZIBWHQXBG-UHFFFAOYSA-N 1 1 284.312 1.777 20 5 CDBDMO CCOCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893427519 617869803 /nfs/dbraw/zinc/86/98/03/617869803.db2.gz MEESPZIBWHQXBG-UHFFFAOYSA-N 1 1 284.312 1.777 20 5 CDBDMO CCC[N@H+]1CC[C@@H](CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891968278 617902275 /nfs/dbraw/zinc/90/22/75/617902275.db2.gz VOJBRPRNHDUJQW-JTQLQIEISA-N 1 1 267.333 1.472 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000895246323 619492088 /nfs/dbraw/zinc/49/20/88/619492088.db2.gz MYMWFGPOLLPAAN-WCQYABFASA-N 1 1 293.371 1.344 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C ZINC000895247322 619494598 /nfs/dbraw/zinc/49/45/98/619494598.db2.gz IMWGPVJESGJHCW-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895247322 619494602 /nfs/dbraw/zinc/49/46/02/619494602.db2.gz IMWGPVJESGJHCW-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895247322 619494605 /nfs/dbraw/zinc/49/46/05/619494605.db2.gz IMWGPVJESGJHCW-PWSUYJOCSA-N 1 1 279.344 1.036 20 5 CDBDMO CCOc1cc2c(cc1C[NH2+]CC[N+](=O)[O-])O[C@H](C)C2 ZINC000899860941 622487277 /nfs/dbraw/zinc/48/72/77/622487277.db2.gz NVWPCVLOSDHVRI-SNVBAGLBSA-N 1 1 280.324 1.775 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000905044545 626383446 /nfs/dbraw/zinc/38/34/46/626383446.db2.gz DTOZXRFTJRBXAJ-UHFFFAOYSA-N 1 1 264.329 1.438 20 5 CDBDMO COc1cccc([C@@H](CNCC[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000905028410 626391050 /nfs/dbraw/zinc/39/10/50/626391050.db2.gz STMNRUXGMLVJGW-OAHLLOKOSA-N 1 1 293.367 1.698 20 5 CDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)cc1 ZINC000905132125 626646506 /nfs/dbraw/zinc/64/65/06/626646506.db2.gz FNGYLJZQZLZLGK-LLVKDONJSA-N 1 1 283.715 1.312 20 5 CDBDMO Cc1ccc(N2CCC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)cc1 ZINC000905134221 626648800 /nfs/dbraw/zinc/64/88/00/626648800.db2.gz GOKHXCPGKIJEAR-ZDUSSCGKSA-N 1 1 277.324 1.357 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286410 628961658 /nfs/dbraw/zinc/96/16/58/628961658.db2.gz GTBXHERKYIGXSL-VIFPVBQESA-N 1 1 295.343 1.183 20 5 CDBDMO O=[N+]([O-])CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060169 632510822 /nfs/dbraw/zinc/51/08/22/632510822.db2.gz GMICSHJNTAXTGO-AAEUAGOBSA-N 1 1 253.346 1.212 20 5 CDBDMO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@H+]4CC[C@H]4C3)nc21 ZINC001158431652 1162996206 /nfs/dbraw/zinc/99/62/06/1162996206.db2.gz FPTVQQINRPOLHD-VIFPVBQESA-N 1 1 273.296 1.365 20 5 CDBDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590309854 1173348142 /nfs/dbraw/zinc/34/81/42/1173348142.db2.gz QVNNCAJMPHSFCR-DTWKUNHWSA-N 1 1 288.311 1.615 20 5 CDBDMO CC(C)[N@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641203 1178226794 /nfs/dbraw/zinc/22/67/94/1178226794.db2.gz ODGLAINGZITIKC-CQSZACIVSA-N 1 1 281.356 1.558 20 5 CDBDMO CC(C)[N@@H+](C)CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158641203 1178226799 /nfs/dbraw/zinc/22/67/99/1178226799.db2.gz ODGLAINGZITIKC-CQSZACIVSA-N 1 1 281.356 1.558 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001159786837 1164202931 /nfs/dbraw/zinc/20/29/31/1164202931.db2.gz LESSMUSFQOQQEA-LBPRGKRZSA-N 1 1 275.312 1.579 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164643155 719189047 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COc1ccc2c(c1)CCC[N@H+](CC[N+](=O)[O-])C2 ZINC000929513577 835815875 /nfs/dbraw/zinc/81/58/75/835815875.db2.gz WAQUJPKOPXXXPY-UHFFFAOYSA-N 1 1 250.298 1.720 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886138436 835876203 /nfs/dbraw/zinc/87/62/03/835876203.db2.gz KJGFPFNAUBUIJD-UHFFFAOYSA-N 1 1 264.329 1.516 20 5 CDBDMO CC(C)(CCC(=O)OCC[NH+]1CCSCC1)[N+](=O)[O-] ZINC000835215057 836021711 /nfs/dbraw/zinc/02/17/11/836021711.db2.gz XVAVEHVIOLWDFP-UHFFFAOYSA-N 1 1 290.385 1.414 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886147465 836068371 /nfs/dbraw/zinc/06/83/71/836068371.db2.gz UEDUXRFKZQXGHX-KOLCDFICSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1O ZINC000886147465 836068382 /nfs/dbraw/zinc/06/83/82/836068382.db2.gz UEDUXRFKZQXGHX-KOLCDFICSA-N 1 1 251.286 1.193 20 5 CDBDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC[N+](=O)[O-] ZINC000930754383 836245989 /nfs/dbraw/zinc/24/59/89/836245989.db2.gz 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927666260 /nfs/dbraw/zinc/66/62/60/927666260.db2.gz NBPWODJYOLMJBK-ILXRZTDVSA-N 1 1 297.399 1.228 20 5 CDBDMO C[N@@H+](Cc1ccncn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055775 927671486 /nfs/dbraw/zinc/67/14/86/927671486.db2.gz QGESFCKOWWOOJS-JQWIXIFHSA-N 1 1 250.302 1.354 20 5 CDBDMO CNC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169985474 928823158 /nfs/dbraw/zinc/82/31/58/928823158.db2.gz SMQVHXRAYLWQJK-VIFPVBQESA-N 1 1 292.339 1.129 20 5 CDBDMO CNC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169985474 928823168 /nfs/dbraw/zinc/82/31/68/928823168.db2.gz SMQVHXRAYLWQJK-VIFPVBQESA-N 1 1 292.339 1.129 20 5 CDBDMO CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835728 929479674 /nfs/dbraw/zinc/47/96/74/929479674.db2.gz MVDYZNWJQULMBI-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO CC(C)(CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[N+](=O)[O-] ZINC000822528300 931166876 /nfs/dbraw/zinc/16/68/76/931166876.db2.gz AMHGCCDLQHCYBU-VXGBXAGGSA-N 1 1 283.372 1.565 20 5 CDBDMO CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001154945690 937610519 /nfs/dbraw/zinc/61/05/19/937610519.db2.gz OPFGTNYAUCRWOP-GWCFXTLKSA-N 1 1 277.324 1.866 20 5 CDBDMO CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001154945690 937610521 /nfs/dbraw/zinc/61/05/21/937610521.db2.gz OPFGTNYAUCRWOP-GWCFXTLKSA-N 1 1 277.324 1.866 20 5 CDBDMO CCN(c1ncnc2cc([N+](=O)[O-])ccc21)C1C[NH+](C)C1 ZINC001157455261 938494761 /nfs/dbraw/zinc/49/47/61/938494761.db2.gz GFBRZNOFGBBUEQ-UHFFFAOYSA-N 1 1 287.323 1.678 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001164317905 939454007 /nfs/dbraw/zinc/45/40/07/939454007.db2.gz ZWWQCVUSKIKMTN-VIFPVBQESA-N 1 1 272.255 1.471 20 5 CDBDMO C[N@H+]1CCC[C@@H](CCNc2nccnc2[N+](=O)[O-])C1 ZINC001165261692 939535744 /nfs/dbraw/zinc/53/57/44/939535744.db2.gz RZMWKFNXBJIMTE-JTQLQIEISA-N 1 1 265.317 1.529 20 5 CDBDMO C[N@H+]1CC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224327888 941743343 /nfs/dbraw/zinc/74/33/43/941743343.db2.gz JATWCHIBCMXZIY-ZDUSSCGKSA-N 1 1 250.298 1.858 20 5 CDBDMO C[C@@H](c1ccccn1)N1CC[C@@H](OCC[N+](C)(C)C)C1 ZINC001224773077 941790279 /nfs/dbraw/zinc/79/02/79/941790279.db2.gz DJEZJLZRBJRQQU-LSDHHAIUSA-N 1 1 278.420 1.940 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001227521281 942183092 /nfs/dbraw/zinc/18/30/92/942183092.db2.gz ORVUCQHHOLFKKQ-GDLCADMTSA-N 1 1 276.292 1.778 20 5 CDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)C[NH+](C)C)cc1O ZINC001228808778 942379941 /nfs/dbraw/zinc/37/99/41/942379941.db2.gz DOEOBPUQZHSRAN-QMMMGPOBSA-N 1 1 298.295 1.416 20 5 CDBDMO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229914031 942552094 /nfs/dbraw/zinc/55/20/94/942552094.db2.gz ABIVBOQLUSKEFN-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229914031 942552096 /nfs/dbraw/zinc/55/20/96/942552096.db2.gz ABIVBOQLUSKEFN-ZETCQYMHSA-N 1 1 257.677 1.726 20 5 CDBDMO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C[C@H](O)CO ZINC001232220466 943173616 /nfs/dbraw/zinc/17/36/16/943173616.db2.gz PIJGGXJMXOXFPE-HNNXBMFYSA-N 1 1 297.358 1.568 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)n1 ZINC001234880185 943965087 /nfs/dbraw/zinc/96/50/87/943965087.db2.gz YDFCNCCRHMOWPU-VIFPVBQESA-N 1 1 267.285 1.471 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001254596747 947546569 /nfs/dbraw/zinc/54/65/69/947546569.db2.gz FWRLTOANVOILQO-FRRDWIJNSA-N 1 1 266.272 1.077 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](O)[C@@H](F)C1)C2 ZINC001254596747 947546572 /nfs/dbraw/zinc/54/65/72/947546572.db2.gz FWRLTOANVOILQO-FRRDWIJNSA-N 1 1 266.272 1.077 20 5 CDBDMO Cn1cc(C[N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254601084 947550537 /nfs/dbraw/zinc/55/05/37/947550537.db2.gz YQXNPNIGNMLZBQ-OAHLLOKOSA-N 1 1 286.335 1.928 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](C1CC1)C1COC1)C2 ZINC001254603010 947553962 /nfs/dbraw/zinc/55/39/62/947553962.db2.gz KEOKFGNKJLPJAC-CQSZACIVSA-N 1 1 274.320 1.925 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](C1CC1)C1COC1)C2 ZINC001254603010 947553966 /nfs/dbraw/zinc/55/39/66/947553966.db2.gz KEOKFGNKJLPJAC-CQSZACIVSA-N 1 1 274.320 1.925 20 5 CDBDMO COC(C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254604312 947554229 /nfs/dbraw/zinc/55/42/29/947554229.db2.gz VDBZRCXOHLFPMW-ZDUSSCGKSA-N 1 1 280.324 1.613 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246100218 947951441 /nfs/dbraw/zinc/95/14/41/947951441.db2.gz SIIOATUUEMRQLW-DDTOSNHZSA-N 1 1 281.331 1.815 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CNCCC1=O ZINC001246295786 948088931 /nfs/dbraw/zinc/08/89/31/948088931.db2.gz VQEQWFZZLWYFHY-JQWIXIFHSA-N 1 1 277.324 1.046 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1=O ZINC001246295786 948088938 /nfs/dbraw/zinc/08/89/38/948088938.db2.gz VQEQWFZZLWYFHY-JQWIXIFHSA-N 1 1 277.324 1.046 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCNC1)C2 ZINC001246345404 948120736 /nfs/dbraw/zinc/12/07/36/948120736.db2.gz ANGJIZLUZGFDLS-OLZOCXBDSA-N 1 1 261.325 1.404 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C)cncc1[N+](=O)[O-] ZINC001324650117 953495693 /nfs/dbraw/zinc/49/56/93/953495693.db2.gz PVCHVPQEMMOSRB-LLVKDONJSA-N 1 1 266.345 1.862 20 5 CDBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001307235403 956381841 /nfs/dbraw/zinc/38/18/41/956381841.db2.gz NAEKMCCRZDKDGW-NSHDSACASA-N 1 1 250.302 1.520 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001331701087 957213769 /nfs/dbraw/zinc/21/37/69/957213769.db2.gz GHRODSAUQOICCH-WCQYABFASA-N 1 1 277.324 1.991 20 5 CDBDMO CC(C)[N@@H+](C)CCNc1ccc2nonc2c1[N+](=O)[O-] ZINC001335423569 959791175 /nfs/dbraw/zinc/79/11/75/959791175.db2.gz GPTIQUMKKKYWSN-UHFFFAOYSA-N 1 1 279.300 1.883 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC001322721271 960306654 /nfs/dbraw/zinc/30/66/54/960306654.db2.gz AVDDVZSLXIRDKX-UHFFFAOYSA-N 1 1 294.355 1.193 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001354266183 968584566 /nfs/dbraw/zinc/58/45/66/968584566.db2.gz HLVQCUJJZUXJOW-JSGCOSHPSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001354266183 968584575 /nfs/dbraw/zinc/58/45/75/968584575.db2.gz HLVQCUJJZUXJOW-JSGCOSHPSA-N 1 1 292.383 1.949 20 5 CDBDMO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581502 969436141 /nfs/dbraw/zinc/43/61/41/969436141.db2.gz ARUOPYCGXPLHLE-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581502 969436142 /nfs/dbraw/zinc/43/61/42/969436142.db2.gz ARUOPYCGXPLHLE-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO CN1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356581502 969436144 /nfs/dbraw/zinc/43/61/44/969436144.db2.gz ARUOPYCGXPLHLE-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO Cc1cc(CO)cc(NCCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000590581040 342577476 /nfs/dbraw/zinc/57/74/76/342577476.db2.gz HHYOQCDTKUXIOB-UHFFFAOYSA-N 1 1 287.319 1.867 20 5 CDBDMO C[C@H](N)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580679 342638052 /nfs/dbraw/zinc/63/80/52/342638052.db2.gz JOFHPQFOOAMKAU-GARJFASQSA-N 1 1 267.333 1.212 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cocn1 ZINC000591735058 342644900 /nfs/dbraw/zinc/64/49/00/342644900.db2.gz NGLZQSJPELEJRE-NSHDSACASA-N 1 1 293.279 1.112 20 5 CDBDMO C[C@H](CCO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593107980 342768832 /nfs/dbraw/zinc/76/88/32/342768832.db2.gz RZILJLJGFJYFLF-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000593107980 342768833 /nfs/dbraw/zinc/76/88/33/342768833.db2.gz RZILJLJGFJYFLF-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CCO ZINC000593109935 342769735 /nfs/dbraw/zinc/76/97/35/342769735.db2.gz OJVVZAUEIASADT-JTQLQIEISA-N 1 1 268.313 1.806 20 5 CDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382273 342263803 /nfs/dbraw/zinc/26/38/03/342263803.db2.gz AAGUPLPBBAQGAH-NSHDSACASA-N 1 1 295.364 1.870 20 5 CDBDMO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075669945 342314332 /nfs/dbraw/zinc/31/43/32/342314332.db2.gz XKEPECHWFMFKCB-UHFFFAOYSA-N 1 1 293.371 1.429 20 5 CDBDMO Cc1noc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000595333897 343037607 /nfs/dbraw/zinc/03/76/07/343037607.db2.gz UVSLGJOTMLKRTL-LLVKDONJSA-N 1 1 282.344 1.665 20 5 CDBDMO Cc1noc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000595455418 343067562 /nfs/dbraw/zinc/06/75/62/343067562.db2.gz UAKWNYQZFWMDAB-KWQFWETISA-N 1 1 255.274 1.548 20 5 CDBDMO CC[C@H](C)[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595593188 343095842 /nfs/dbraw/zinc/09/58/42/343095842.db2.gz OOAZGUKTMQJAKO-CMPLNLGQSA-N 1 1 270.333 1.273 20 5 CDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875580 343178164 /nfs/dbraw/zinc/17/81/64/343178164.db2.gz QYWYJWGUMGKSMG-DOMZBBRYSA-N 1 1 294.351 1.924 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000596308322 343293466 /nfs/dbraw/zinc/29/34/66/343293466.db2.gz QVKUZZRMJXGYOB-JTQLQIEISA-N 1 1 279.344 1.339 20 5 CDBDMO CCC[N@H+]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596518903 343340658 /nfs/dbraw/zinc/34/06/58/343340658.db2.gz ZJKCJKWOJKAEIU-SECBINFHSA-N 1 1 266.301 1.592 20 5 CDBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599654245 344104032 /nfs/dbraw/zinc/10/40/32/344104032.db2.gz FFKQAKHQQRFPCF-WVSHTKLVSA-N 1 1 268.288 1.937 20 5 CDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672229 344217316 /nfs/dbraw/zinc/21/73/16/344217316.db2.gz VMZVLGGTPOWWQY-SNVBAGLBSA-N 1 1 295.314 1.948 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000602826245 344612158 /nfs/dbraw/zinc/61/21/58/344612158.db2.gz JUBCOHJEOONTIA-QWHCGFSZSA-N 1 1 294.355 1.743 20 5 CDBDMO CCc1nocc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602831035 344613831 /nfs/dbraw/zinc/61/38/31/344613831.db2.gz FITMALBDFWQLEE-UHFFFAOYSA-N 1 1 293.327 1.782 20 5 CDBDMO CCc1nocc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602831035 344613832 /nfs/dbraw/zinc/61/38/32/344613832.db2.gz FITMALBDFWQLEE-UHFFFAOYSA-N 1 1 293.327 1.782 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000602786232 344599346 /nfs/dbraw/zinc/59/93/46/344599346.db2.gz DRWPUSOIRZGGSW-AOOOYVTPSA-N 1 1 252.318 1.973 20 5 CDBDMO Nc1[nH+]cccc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000603323837 344775806 /nfs/dbraw/zinc/77/58/06/344775806.db2.gz BXVSIHDEPVGFCH-UHFFFAOYSA-N 1 1 259.269 1.694 20 5 CDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000609517010 345592508 /nfs/dbraw/zinc/59/25/08/345592508.db2.gz CMPNSNFDGHKSNF-VIFPVBQESA-N 1 1 270.358 1.314 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000609517010 345592510 /nfs/dbraw/zinc/59/25/10/345592510.db2.gz CMPNSNFDGHKSNF-VIFPVBQESA-N 1 1 270.358 1.314 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249284074 362628678 /nfs/dbraw/zinc/62/86/78/362628678.db2.gz HUISSQNJXJAUKL-WCFLWFBJSA-N 1 1 280.324 1.392 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C)C1 ZINC000610655811 346336796 /nfs/dbraw/zinc/33/67/96/346336796.db2.gz AUBLTHLHQPVMBG-JTQLQIEISA-N 1 1 252.318 1.832 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069703 362712622 /nfs/dbraw/zinc/71/26/22/362712622.db2.gz KEJFOQMZUVWNTA-KOLCDFICSA-N 1 1 280.328 1.335 20 5 CDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000584682049 346402304 /nfs/dbraw/zinc/40/23/04/346402304.db2.gz FNJXOCITATXAHM-CQSZACIVSA-N 1 1 282.340 1.813 20 5 CDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088371 346604902 /nfs/dbraw/zinc/60/49/02/346604902.db2.gz RXVPKKWVJHBFDC-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000611103911 346608738 /nfs/dbraw/zinc/60/87/38/346608738.db2.gz HJRNPQYQHQTSMD-ZDUSSCGKSA-N 1 1 291.351 1.814 20 5 CDBDMO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000614832280 348243937 /nfs/dbraw/zinc/24/39/37/348243937.db2.gz IZVLCQVMTVCWIZ-NSHDSACASA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000273421741 192145158 /nfs/dbraw/zinc/14/51/58/192145158.db2.gz YZZYWZGGBYALFB-FRRDWIJNSA-N 1 1 294.351 1.922 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)CC1CC1 ZINC000064516469 348942506 /nfs/dbraw/zinc/94/25/06/348942506.db2.gz YCDHNFZASFUYEH-UHFFFAOYSA-N 1 1 250.298 1.799 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)CC ZINC000091557166 180190915 /nfs/dbraw/zinc/19/09/15/180190915.db2.gz ISEVSYDCDCOXGR-UHFFFAOYSA-N 1 1 255.322 1.483 20 5 CDBDMO COCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000105832075 186076175 /nfs/dbraw/zinc/07/61/75/186076175.db2.gz ZBDWGIJFXHRZHM-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO COCC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000105832366 186077129 /nfs/dbraw/zinc/07/71/29/186077129.db2.gz PFYRVPMGXOCGAY-CYBMUJFWSA-N 1 1 293.367 1.747 20 5 CDBDMO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413022372 363184138 /nfs/dbraw/zinc/18/41/38/363184138.db2.gz DEOZHZFLJCNNJE-UHFFFAOYSA-N 1 1 268.292 1.661 20 5 CDBDMO Cc1nc(NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271744152 191301778 /nfs/dbraw/zinc/30/17/78/191301778.db2.gz AKTIUXJSIASZTD-UHFFFAOYSA-N 1 1 262.313 1.972 20 5 CDBDMO Cc1cc(OC[C@@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529954 357210103 /nfs/dbraw/zinc/21/01/03/357210103.db2.gz DEFBZWVGSYSJKI-LBPRGKRZSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933819 357391679 /nfs/dbraw/zinc/39/16/79/357391679.db2.gz VWTMICHBUMYWPX-NEPJUHHUSA-N 1 1 280.324 1.819 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)C1 ZINC000074325219 357909584 /nfs/dbraw/zinc/90/95/84/357909584.db2.gz MJCHZGUWHNMGEX-GFCCVEGCSA-N 1 1 293.323 1.298 20 5 CDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000189418468 358008804 /nfs/dbraw/zinc/00/88/04/358008804.db2.gz XEVQBGSPAKPJMU-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000189418468 358008808 /nfs/dbraw/zinc/00/88/08/358008808.db2.gz XEVQBGSPAKPJMU-UHFFFAOYSA-N 1 1 293.323 1.047 20 5 CDBDMO C[C@H](c1nncn1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286804002 358011145 /nfs/dbraw/zinc/01/11/45/358011145.db2.gz JCRABPLEXGFAPO-LLVKDONJSA-N 1 1 289.339 1.959 20 5 CDBDMO C[C@H](c1nncn1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286804002 358011149 /nfs/dbraw/zinc/01/11/49/358011149.db2.gz JCRABPLEXGFAPO-LLVKDONJSA-N 1 1 289.339 1.959 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192569076 358217425 /nfs/dbraw/zinc/21/74/25/358217425.db2.gz RFIYZXHMUGJQOZ-PHIMTYICSA-N 1 1 290.323 1.620 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000361555271 358280543 /nfs/dbraw/zinc/28/05/43/358280543.db2.gz AEQWSVNKWAJBSR-CYBMUJFWSA-N 1 1 281.287 1.431 20 5 CDBDMO Cc1nc(N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852590 199214684 /nfs/dbraw/zinc/21/46/84/199214684.db2.gz BHLXLBZMMVOWTE-LBPRGKRZSA-N 1 1 294.355 1.557 20 5 CDBDMO C[C@@H]1SCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248901 358750484 /nfs/dbraw/zinc/75/04/84/358750484.db2.gz HRJCDHVWERQQGB-UWVGGRQHSA-N 1 1 270.358 1.617 20 5 CDBDMO C[C@H]1SCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248933 358750507 /nfs/dbraw/zinc/75/05/07/358750507.db2.gz HRJCDHVWERQQGB-VHSXEESVSA-N 1 1 270.358 1.617 20 5 CDBDMO CSC[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000135449574 358754812 /nfs/dbraw/zinc/75/48/12/358754812.db2.gz UWXMWEABQZUGNM-JTQLQIEISA-N 1 1 270.358 1.619 20 5 CDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000291060309 358841554 /nfs/dbraw/zinc/84/15/54/358841554.db2.gz XXJDZJQLIQKCNM-VIFPVBQESA-N 1 1 283.332 1.168 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104186243 358950431 /nfs/dbraw/zinc/95/04/31/358950431.db2.gz CKQLFRGIKFGFTH-NSHDSACASA-N 1 1 277.324 1.585 20 5 CDBDMO CC[N@@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000054127932 359159028 /nfs/dbraw/zinc/15/90/28/359159028.db2.gz GDWAEALYRQCUET-UHFFFAOYSA-N 1 1 291.311 1.195 20 5 CDBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000339627371 359419627 /nfs/dbraw/zinc/41/96/27/359419627.db2.gz AKVHGQOOAGTOHT-NSHDSACASA-N 1 1 268.313 1.676 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000054132267 359425168 /nfs/dbraw/zinc/42/51/68/359425168.db2.gz WZUCFBVMCYMWHY-UHFFFAOYSA-N 1 1 280.328 1.318 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289040970 359428424 /nfs/dbraw/zinc/42/84/24/359428424.db2.gz BNLFSOMYELUSLG-AWEZNQCLSA-N 1 1 295.339 1.593 20 5 CDBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346378 359392571 /nfs/dbraw/zinc/39/25/71/359392571.db2.gz UBQLFRFPYIGQOS-PWSUYJOCSA-N 1 1 282.344 1.454 20 5 CDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355346378 359392574 /nfs/dbraw/zinc/39/25/74/359392574.db2.gz UBQLFRFPYIGQOS-PWSUYJOCSA-N 1 1 282.344 1.454 20 5 CDBDMO COc1ccc(C[N@@H+](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050103626 359571392 /nfs/dbraw/zinc/57/13/92/359571392.db2.gz WBCUTTNUSAWVFL-UHFFFAOYSA-N 1 1 268.313 1.806 20 5 CDBDMO Cc1nc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297332685 200151997 /nfs/dbraw/zinc/15/19/97/200151997.db2.gz AHUZFPIITIZRAM-GZMMTYOYSA-N 1 1 277.328 1.588 20 5 CDBDMO C[C@@H](O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000135642834 359803852 /nfs/dbraw/zinc/80/38/52/359803852.db2.gz VYQQTGRISIIEJE-LLVKDONJSA-N 1 1 252.314 1.840 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000178019314 189086408 /nfs/dbraw/zinc/08/64/08/189086408.db2.gz GNECSXNARBLKOV-CQSZACIVSA-N 1 1 293.323 1.298 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000178019314 189086409 /nfs/dbraw/zinc/08/64/09/189086409.db2.gz GNECSXNARBLKOV-CQSZACIVSA-N 1 1 293.323 1.298 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468929 361205797 /nfs/dbraw/zinc/20/57/97/361205797.db2.gz ONKRPGPBGKGWJO-SKDRFNHKSA-N 1 1 282.319 1.905 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301612393 201093972 /nfs/dbraw/zinc/09/39/72/201093972.db2.gz SGHSFXGDCFXTJV-SNVBAGLBSA-N 1 1 294.359 1.357 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCO)C2)nc1 ZINC000304335062 239358776 /nfs/dbraw/zinc/35/87/76/239358776.db2.gz WKEVTAJCAFPFMV-NSHDSACASA-N 1 1 280.328 1.249 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000413450507 240693037 /nfs/dbraw/zinc/69/30/37/240693037.db2.gz YHNDXBBJRIYOOD-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270813476 366936240 /nfs/dbraw/zinc/93/62/40/366936240.db2.gz YDAQVCFEYRNQOF-LLVKDONJSA-N 1 1 278.312 1.146 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270813476 366936246 /nfs/dbraw/zinc/93/62/46/366936246.db2.gz YDAQVCFEYRNQOF-LLVKDONJSA-N 1 1 278.312 1.146 20 5 CDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414496548 241233938 /nfs/dbraw/zinc/23/39/38/241233938.db2.gz IONVNINDOVJFCT-CYBMUJFWSA-N 1 1 291.351 1.813 20 5 CDBDMO Cc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361152 367132340 /nfs/dbraw/zinc/13/23/40/367132340.db2.gz CBPFJQADDWBGFM-VXGBXAGGSA-N 1 1 291.355 1.614 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330603222 203025157 /nfs/dbraw/zinc/02/51/57/203025157.db2.gz HVHPOLJJVQVSGL-RYUDHWBXSA-N 1 1 291.351 1.688 20 5 CDBDMO CC(C)NC(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562722 369080053 /nfs/dbraw/zinc/08/00/53/369080053.db2.gz SCLYOKLQXOXXSI-UHFFFAOYSA-N 1 1 257.315 1.271 20 5 CDBDMO C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420401811 244204705 /nfs/dbraw/zinc/20/47/05/244204705.db2.gz JNARYCDNUHEBHF-STQMWFEESA-N 1 1 293.367 1.890 20 5 CDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C)CC1 ZINC000289942742 369728131 /nfs/dbraw/zinc/72/81/31/369728131.db2.gz XDWUQITUGBRFIP-UHFFFAOYSA-N 1 1 292.339 1.937 20 5 CDBDMO CC(C)[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266392839 372779427 /nfs/dbraw/zinc/77/94/27/372779427.db2.gz CKSDJBDFRGVTHM-JQWIXIFHSA-N 1 1 270.333 1.129 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368327220 373207874 /nfs/dbraw/zinc/20/78/74/373207874.db2.gz BBRDKYLIISGNQL-ITGUQSILSA-N 1 1 278.308 1.274 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368327220 373207878 /nfs/dbraw/zinc/20/78/78/373207878.db2.gz BBRDKYLIISGNQL-ITGUQSILSA-N 1 1 278.308 1.274 20 5 CDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298442357 373601064 /nfs/dbraw/zinc/60/10/64/373601064.db2.gz CQTSXWPQNZQHKG-UHFFFAOYSA-N 1 1 283.303 1.502 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000610762680 374133642 /nfs/dbraw/zinc/13/36/42/374133642.db2.gz NXSMNHXKKHVNHF-KYOSRNDESA-N 1 1 292.335 1.819 20 5 CDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000225344534 374243221 /nfs/dbraw/zinc/24/32/21/374243221.db2.gz HTNHYVATJSTLFI-NSHDSACASA-N 1 1 298.774 1.906 20 5 CDBDMO CCc1nc(CNCc2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000296129478 374371322 /nfs/dbraw/zinc/37/13/22/374371322.db2.gz UHAAEWNOYPTGGQ-UHFFFAOYSA-N 1 1 275.312 1.874 20 5 CDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299085957 374380986 /nfs/dbraw/zinc/38/09/86/374380986.db2.gz GALWXJHEQSPAJG-SECBINFHSA-N 1 1 278.312 1.137 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000154811800 374758453 /nfs/dbraw/zinc/75/84/53/374758453.db2.gz GMBZSTXJRRGYBT-GXSJLCMTSA-N 1 1 266.301 1.121 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000154811800 374758456 /nfs/dbraw/zinc/75/84/56/374758456.db2.gz GMBZSTXJRRGYBT-GXSJLCMTSA-N 1 1 266.301 1.121 20 5 CDBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331332567 374930437 /nfs/dbraw/zinc/93/04/37/374930437.db2.gz SIFMWIWYBBVZLG-VXGBXAGGSA-N 1 1 282.344 1.417 20 5 CDBDMO C[C@@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000282890352 375105565 /nfs/dbraw/zinc/10/55/65/375105565.db2.gz WCGZHZKVUBMWMA-JTQLQIEISA-N 1 1 254.286 1.286 20 5 CDBDMO CCOc1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352792546 375538190 /nfs/dbraw/zinc/53/81/90/375538190.db2.gz MGSMRLOCQDPLDC-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO CCOc1cc(C[N@@H+](C)[C@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352792546 375538196 /nfs/dbraw/zinc/53/81/96/375538196.db2.gz MGSMRLOCQDPLDC-STQMWFEESA-N 1 1 296.323 1.185 20 5 CDBDMO C[C@H](C1CCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000357024361 375875625 /nfs/dbraw/zinc/87/56/25/375875625.db2.gz MVJWTFATJBQJQG-SNVBAGLBSA-N 1 1 252.318 1.912 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873795 375866728 /nfs/dbraw/zinc/86/67/28/375866728.db2.gz KMQGQKAYHXVWSQ-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356873795 375866734 /nfs/dbraw/zinc/86/67/34/375866734.db2.gz KMQGQKAYHXVWSQ-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO CCN1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358280534 375960803 /nfs/dbraw/zinc/96/08/03/375960803.db2.gz YVTLWYMTFSBVMB-UHFFFAOYSA-N 1 1 281.360 1.207 20 5 CDBDMO CC[NH+]1CCC(N(C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358280534 375960807 /nfs/dbraw/zinc/96/08/07/375960807.db2.gz YVTLWYMTFSBVMB-UHFFFAOYSA-N 1 1 281.360 1.207 20 5 CDBDMO Cc1nc2n(n1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000267088473 377053760 /nfs/dbraw/zinc/05/37/60/377053760.db2.gz SWYBSCLPPAWVPR-UHFFFAOYSA-N 1 1 287.323 1.553 20 5 CDBDMO Cc1nc2n(n1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000267088473 377053776 /nfs/dbraw/zinc/05/37/76/377053776.db2.gz SWYBSCLPPAWVPR-UHFFFAOYSA-N 1 1 287.323 1.553 20 5 CDBDMO C[C@@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345166590 377403655 /nfs/dbraw/zinc/40/36/55/377403655.db2.gz SQUNEEYHRCNZNN-ZJUUUORDSA-N 1 1 293.327 1.016 20 5 CDBDMO C[C@H]1c2cccn2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000172717099 377716270 /nfs/dbraw/zinc/71/62/70/377716270.db2.gz YKMXPFUSYMYJBM-NSHDSACASA-N 1 1 275.312 1.670 20 5 CDBDMO C[C@H]1c2cccn2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000172717099 377716280 /nfs/dbraw/zinc/71/62/80/377716280.db2.gz YKMXPFUSYMYJBM-NSHDSACASA-N 1 1 275.312 1.670 20 5 CDBDMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000172755881 377733933 /nfs/dbraw/zinc/73/39/33/377733933.db2.gz ROAUYSDRMDALDV-JTQLQIEISA-N 1 1 283.353 1.823 20 5 CDBDMO Cc1cccc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000218846379 377783005 /nfs/dbraw/zinc/78/30/05/377783005.db2.gz LEMHJVCWOYRCCD-LLVKDONJSA-N 1 1 265.313 1.646 20 5 CDBDMO Cc1cccc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000218846379 377783009 /nfs/dbraw/zinc/78/30/09/377783009.db2.gz LEMHJVCWOYRCCD-LLVKDONJSA-N 1 1 265.313 1.646 20 5 CDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000444675853 250165055 /nfs/dbraw/zinc/16/50/55/250165055.db2.gz SPIIWBNFYHAOHB-PELKAZGASA-N 1 1 276.296 1.284 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000444675853 250165058 /nfs/dbraw/zinc/16/50/58/250165058.db2.gz SPIIWBNFYHAOHB-PELKAZGASA-N 1 1 276.296 1.284 20 5 CDBDMO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1C ZINC000490296194 253033460 /nfs/dbraw/zinc/03/34/60/253033460.db2.gz DCJYZCMJOKPROA-LLVKDONJSA-N 1 1 280.328 1.335 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491848093 253103616 /nfs/dbraw/zinc/10/36/16/253103616.db2.gz RGALBTYJUQJDDR-ALCCZGGFSA-N 1 1 295.314 1.815 20 5 CDBDMO CC[C@@H](O)C[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178228709 390847610 /nfs/dbraw/zinc/84/76/10/390847610.db2.gz CXDKGCYFCGTRIM-GFCCVEGCSA-N 1 1 294.355 1.191 20 5 CDBDMO C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411158893 390965902 /nfs/dbraw/zinc/96/59/02/390965902.db2.gz GYBZAIJSGXNLJO-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411158893 390965903 /nfs/dbraw/zinc/96/59/03/390965903.db2.gz GYBZAIJSGXNLJO-LLVKDONJSA-N 1 1 293.323 1.644 20 5 CDBDMO CC[N@H+](CCO)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526535 /nfs/dbraw/zinc/52/65/35/391526535.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 1 1 281.356 1.307 20 5 CDBDMO CC[N@@H+](CCO)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526542 /nfs/dbraw/zinc/52/65/42/391526542.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 1 1 281.356 1.307 20 5 CDBDMO COCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290912347 391568684 /nfs/dbraw/zinc/56/86/84/391568684.db2.gz GLNQRQBARPJBCP-UHFFFAOYSA-N 1 1 297.330 1.811 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[C@H]1O ZINC000245553344 391992198 /nfs/dbraw/zinc/99/21/98/391992198.db2.gz RGZVTZWBUOMUCL-VXGBXAGGSA-N 1 1 282.344 1.274 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(CCC3)C2)c1 ZINC000123238916 392760200 /nfs/dbraw/zinc/76/02/00/392760200.db2.gz OEGVDGNBWZOJTL-GFCCVEGCSA-N 1 1 280.328 1.028 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000522213085 392874531 /nfs/dbraw/zinc/87/45/31/392874531.db2.gz JGQDAYOMGWICMN-SNVBAGLBSA-N 1 1 280.328 1.383 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCn1cccn1 ZINC000430230787 393095361 /nfs/dbraw/zinc/09/53/61/393095361.db2.gz ARHLRSUSOMOXQR-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCn1cccn1 ZINC000430230787 393095364 /nfs/dbraw/zinc/09/53/64/393095364.db2.gz ARHLRSUSOMOXQR-UHFFFAOYSA-N 1 1 290.323 1.932 20 5 CDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncccc1[N+](=O)[O-] ZINC000275840934 135113842 /nfs/dbraw/zinc/11/38/42/135113842.db2.gz PVDFJSQQOJBSGA-NSHDSACASA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000231677254 140217763 /nfs/dbraw/zinc/21/77/63/140217763.db2.gz DDBCZSOFWFNCRK-MWLCHTKSSA-N 1 1 293.323 1.513 20 5 CDBDMO COC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251905454 140315138 /nfs/dbraw/zinc/31/51/38/140315138.db2.gz RHHBDBFHYXYGQM-WFASDCNBSA-N 1 1 294.351 1.873 20 5 CDBDMO COC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251905454 140315139 /nfs/dbraw/zinc/31/51/39/140315139.db2.gz RHHBDBFHYXYGQM-WFASDCNBSA-N 1 1 294.351 1.873 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252551791 140320292 /nfs/dbraw/zinc/32/02/92/140320292.db2.gz PYASEPOENMUAGQ-KBPBESRZSA-N 1 1 277.324 1.870 20 5 CDBDMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261660837 140370938 /nfs/dbraw/zinc/37/09/38/140370938.db2.gz ZEBYJHSQLAOUSM-KWCYVHTRSA-N 1 1 261.325 1.764 20 5 CDBDMO O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000261774099 140387611 /nfs/dbraw/zinc/38/76/11/140387611.db2.gz DYRMZMORSCLDPE-GFCCVEGCSA-N 1 1 293.371 1.428 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1 ZINC000423197382 397602204 /nfs/dbraw/zinc/60/22/04/397602204.db2.gz ZERNPAOSDGRJKV-AAEUAGOBSA-N 1 1 263.341 1.867 20 5 CDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759747 149155386 /nfs/dbraw/zinc/15/53/86/149155386.db2.gz IXSDYKPTXMANLM-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000305759747 149155387 /nfs/dbraw/zinc/15/53/87/149155387.db2.gz IXSDYKPTXMANLM-NOZJJQNGSA-N 1 1 268.288 1.937 20 5 CDBDMO CC(=O)NCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549582 155264716 /nfs/dbraw/zinc/26/47/16/155264716.db2.gz DHOIWPNMAJQOEG-UHFFFAOYSA-N 1 1 279.340 1.595 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344035334 152398328 /nfs/dbraw/zinc/39/83/28/152398328.db2.gz RQTHRSFYZGEZFK-TUKIKUTGSA-N 1 1 292.335 1.676 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000352697646 155374611 /nfs/dbraw/zinc/37/46/11/155374611.db2.gz LQHVGLBALJWPFJ-ZIAGYGMSSA-N 1 1 280.324 1.819 20 5 CDBDMO C[C@@H]([NH3+])[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000351861969 154776823 /nfs/dbraw/zinc/77/68/23/154776823.db2.gz MRJQEXLEAVDGTE-NEPJUHHUSA-N 1 1 279.340 1.643 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000361955649 159023722 /nfs/dbraw/zinc/02/37/22/159023722.db2.gz UGWSRDWOFAAHHR-CYBMUJFWSA-N 1 1 294.355 1.540 20 5 CDBDMO O=[N+]([O-])c1ccccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362223790 159100389 /nfs/dbraw/zinc/10/03/89/159100389.db2.gz VXYYDEBMFBIYGT-CQSZACIVSA-N 1 1 291.351 1.501 20 5 CDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC1 ZINC000285417509 196279284 /nfs/dbraw/zinc/27/92/84/196279284.db2.gz VJWFMHHHPOCRLO-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC1 ZINC000285417509 196279286 /nfs/dbraw/zinc/27/92/86/196279286.db2.gz VJWFMHHHPOCRLO-UHFFFAOYSA-N 1 1 277.324 1.301 20 5 CDBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000044538001 175199450 /nfs/dbraw/zinc/19/94/50/175199450.db2.gz FZFVNUKSHMITDE-JTQLQIEISA-N 1 1 267.333 1.390 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537662 175199964 /nfs/dbraw/zinc/19/99/64/175199964.db2.gz XFTBPQVVPKVWTH-JTQLQIEISA-N 1 1 250.302 1.744 20 5 CDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000078738822 177379992 /nfs/dbraw/zinc/37/99/92/177379992.db2.gz WUHFCIRMZYPSGQ-UHFFFAOYSA-N 1 1 295.339 1.287 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185208991 262302027 /nfs/dbraw/zinc/30/20/27/262302027.db2.gz AEQUEFFXESYGIH-UHFFFAOYSA-N 1 1 295.343 1.034 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804631 262366714 /nfs/dbraw/zinc/36/67/14/262366714.db2.gz HQDFCQOCYMQANI-SECBINFHSA-N 1 1 283.353 1.728 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CCO)CC2)c1 ZINC000090794780 274117866 /nfs/dbraw/zinc/11/78/66/274117866.db2.gz DDQHXBZYDOFIFW-UHFFFAOYSA-N 1 1 295.339 1.108 20 5 CDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355481205 277040211 /nfs/dbraw/zinc/04/02/11/277040211.db2.gz SUQNRSNHGGMNII-JTQLQIEISA-N 1 1 295.343 1.168 20 5 CDBDMO C[N@H+]1CCC[C@H]1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332184707 277078982 /nfs/dbraw/zinc/07/89/82/277078982.db2.gz XNMQIPSBSDYCOA-ZDUSSCGKSA-N 1 1 290.367 1.832 20 5 CDBDMO C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153500324 277115130 /nfs/dbraw/zinc/11/51/30/277115130.db2.gz HAVPAVSQAKJVRJ-UHFFFAOYSA-N 1 1 256.693 1.395 20 5 CDBDMO CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354186 294223128 /nfs/dbraw/zinc/22/31/28/294223128.db2.gz VJFMKYGYXBXGFH-OCCSQVGLSA-N 1 1 295.383 1.866 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000245408576 523445207 /nfs/dbraw/zinc/44/52/07/523445207.db2.gz HYBQECLHHFBBRX-ZYHUDNBSSA-N 1 1 268.317 1.291 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000245408576 523445221 /nfs/dbraw/zinc/44/52/21/523445221.db2.gz HYBQECLHHFBBRX-ZYHUDNBSSA-N 1 1 268.317 1.291 20 5 CDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC000068913106 524754807 /nfs/dbraw/zinc/75/48/07/524754807.db2.gz NICHPBQNUWMFIJ-VIFPVBQESA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068913154 524762000 /nfs/dbraw/zinc/76/20/00/524762000.db2.gz OBIDSOARFBTUKP-VIFPVBQESA-N 1 1 250.302 1.884 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925102 524936417 /nfs/dbraw/zinc/93/64/17/524936417.db2.gz IGVHSGUFTWMDEO-ZANVPECISA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000340925102 524936424 /nfs/dbraw/zinc/93/64/24/524936424.db2.gz IGVHSGUFTWMDEO-ZANVPECISA-N 1 1 294.307 1.416 20 5 CDBDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000050418331 525456254 /nfs/dbraw/zinc/45/62/54/525456254.db2.gz LKQMLAARVMCHTC-SNVBAGLBSA-N 1 1 291.311 1.453 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(C2)CCOCC3)n1 ZINC000363361308 527406615 /nfs/dbraw/zinc/40/66/15/527406615.db2.gz ROYBJNHHOVMDCV-UHFFFAOYSA-N 1 1 280.328 1.294 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000268779577 536879120 /nfs/dbraw/zinc/87/91/20/536879120.db2.gz BRFTXPRBQNYPLF-NSHDSACASA-N 1 1 280.328 1.431 20 5 CDBDMO C[N@@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681471 574820363 /nfs/dbraw/zinc/82/03/63/574820363.db2.gz DIBRGHWCQSRASG-LLVKDONJSA-N 1 1 293.323 1.160 20 5 CDBDMO C[N@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681471 574820365 /nfs/dbraw/zinc/82/03/65/574820365.db2.gz DIBRGHWCQSRASG-LLVKDONJSA-N 1 1 293.323 1.160 20 5 CDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000759875606 576439894 /nfs/dbraw/zinc/43/98/94/576439894.db2.gz CVBUDXIPNOZMLH-CYBMUJFWSA-N 1 1 280.324 1.475 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344310 576675449 /nfs/dbraw/zinc/67/54/49/576675449.db2.gz AHGGLXWUUUZIHO-SNVBAGLBSA-N 1 1 295.314 1.948 20 5 CDBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C(=O)OC ZINC000933187513 617372307 /nfs/dbraw/zinc/37/23/07/617372307.db2.gz KGXNPSVRIQEDJR-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C(=O)OC ZINC000933187513 617372308 /nfs/dbraw/zinc/37/23/08/617372308.db2.gz KGXNPSVRIQEDJR-UHFFFAOYSA-N 1 1 284.316 1.065 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838372 617633898 /nfs/dbraw/zinc/63/38/98/617633898.db2.gz QZPBXQOJSDCMMG-SNVBAGLBSA-N 1 1 267.333 1.472 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000893872077 618117296 /nfs/dbraw/zinc/11/72/96/618117296.db2.gz OHOFMQSAISXZJR-NSHDSACASA-N 1 1 277.324 1.727 20 5 CDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000893935602 618195795 /nfs/dbraw/zinc/19/57/95/618195795.db2.gz RDJJWBKWVWSIHN-KWQFWETISA-N 1 1 266.276 1.269 20 5 CDBDMO CC(C)C[N@@H+](C)CCCNc1c([N+](=O)[O-])cnn1C ZINC000894376555 618833885 /nfs/dbraw/zinc/83/38/85/618833885.db2.gz FLTKRKAQCBSOAY-UHFFFAOYSA-N 1 1 269.349 1.718 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928553333 619357083 /nfs/dbraw/zinc/35/70/83/619357083.db2.gz NFMPZCLSGSVPNH-LLVKDONJSA-N 1 1 277.324 1.646 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928553333 619357085 /nfs/dbraw/zinc/35/70/85/619357085.db2.gz NFMPZCLSGSVPNH-LLVKDONJSA-N 1 1 277.324 1.646 20 5 CDBDMO CCN(CC)[C@H](C[NH2+]CC[N+](=O)[O-])c1cccc(OC)c1 ZINC000899863929 622497478 /nfs/dbraw/zinc/49/74/78/622497478.db2.gz CJFCWLZBSXWYAA-OAHLLOKOSA-N 1 1 295.383 1.944 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000903003319 625767565 /nfs/dbraw/zinc/76/75/65/625767565.db2.gz LPVWNIBHUREKQH-AAEUAGOBSA-N 1 1 298.314 1.768 20 5 CDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](F)C2)c1 ZINC000903003319 625767583 /nfs/dbraw/zinc/76/75/83/625767583.db2.gz LPVWNIBHUREKQH-AAEUAGOBSA-N 1 1 298.314 1.768 20 5 CDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCC[N+](=O)[O-])C1 ZINC000905107401 626623258 /nfs/dbraw/zinc/62/32/58/626623258.db2.gz YHFSPBNFNQUAMC-LBPRGKRZSA-N 1 1 257.378 1.753 20 5 CDBDMO C[C@H](c1ccc(NCC[N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000905318452 626746845 /nfs/dbraw/zinc/74/68/45/626746845.db2.gz HXKCSRQAJDKQLR-GFCCVEGCSA-N 1 1 279.340 1.768 20 5 CDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000913536463 630531139 /nfs/dbraw/zinc/53/11/39/630531139.db2.gz BMMLNOPTHPFSCZ-OKILXGFUSA-N 1 1 289.335 1.442 20 5 CDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000157694922 630609364 /nfs/dbraw/zinc/60/93/64/630609364.db2.gz HOOXQJYSIYLOFH-UWVGGRQHSA-N 1 1 295.314 1.946 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC000134218105 1175812957 /nfs/dbraw/zinc/81/29/57/1175812957.db2.gz LFODJCJNIVOUCP-QMMMGPOBSA-N 1 1 252.274 1.114 20 5 CDBDMO C[N@H+](CC[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000930812909 844091624 /nfs/dbraw/zinc/09/16/24/844091624.db2.gz VSFKNODHPBFNGH-CYBMUJFWSA-N 1 1 250.298 1.029 20 5 CDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000930812909 844091631 /nfs/dbraw/zinc/09/16/31/844091631.db2.gz VSFKNODHPBFNGH-CYBMUJFWSA-N 1 1 250.298 1.029 20 5 CDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C)CC1 ZINC000843752134 844100724 /nfs/dbraw/zinc/10/07/24/844100724.db2.gz KMSYSOXYONKECI-UHFFFAOYSA-N 1 1 295.314 1.820 20 5 CDBDMO Cc1noc(C[NH+]2CCC(n3cccn3)CC2)c1[N+](=O)[O-] ZINC000851764119 844412663 /nfs/dbraw/zinc/41/26/63/844412663.db2.gz FCSFRFLFTMLZHL-UHFFFAOYSA-N 1 1 291.311 1.925 20 5 CDBDMO C[C@@H]([NH2+]CCN1CCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000886747597 844448069 /nfs/dbraw/zinc/44/80/69/844448069.db2.gz ZEKPVVVDQDHPJA-SECBINFHSA-N 1 1 296.302 1.410 20 5 CDBDMO CC(C)(COC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N+](=O)[O-] ZINC000851128669 843582958 /nfs/dbraw/zinc/58/29/58/843582958.db2.gz CXRYAEZRDUBJEA-UHFFFAOYSA-N 1 1 290.279 1.479 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000886005685 843897410 /nfs/dbraw/zinc/89/74/10/843897410.db2.gz HXJBABWGMKPVPL-ZDUSSCGKSA-N 1 1 276.340 1.658 20 5 CDBDMO CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000886018548 844001510 /nfs/dbraw/zinc/00/15/10/844001510.db2.gz BZZOXWXOQLRMMC-LBPRGKRZSA-N 1 1 278.356 1.763 20 5 CDBDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905542 844761953 /nfs/dbraw/zinc/76/19/53/844761953.db2.gz PPUMVXWLKWDSOM-UHFFFAOYSA-N 1 1 266.301 1.456 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000797518348 844834293 /nfs/dbraw/zinc/83/42/93/844834293.db2.gz CFAOFSXNLUCWMP-NSHDSACASA-N 1 1 279.340 1.739 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000776594235 844876843 /nfs/dbraw/zinc/87/68/43/844876843.db2.gz ZLBPXXFBJMBTTC-CQSZACIVSA-N 1 1 288.307 1.410 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000776594235 844876848 /nfs/dbraw/zinc/87/68/48/844876848.db2.gz ZLBPXXFBJMBTTC-CQSZACIVSA-N 1 1 288.307 1.410 20 5 CDBDMO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC2[N+](=O)[O-])([NH+](C)C)C1 ZINC000839570596 845011542 /nfs/dbraw/zinc/01/15/42/845011542.db2.gz GLRVLVQCGOUDTA-BYNQJWBRSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827739924 845048805 /nfs/dbraw/zinc/04/88/05/845048805.db2.gz SZULRCQSSUQYHJ-QWRGUYRKSA-N 1 1 271.361 1.373 20 5 CDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000839596184 845062202 /nfs/dbraw/zinc/06/22/02/845062202.db2.gz SXJBCQLCYOPOHF-UTUOFQBUSA-N 1 1 295.339 1.444 20 5 CDBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000853231934 845255354 /nfs/dbraw/zinc/25/53/54/845255354.db2.gz PABGVKUNKAUCSZ-JTQLQIEISA-N 1 1 262.313 1.826 20 5 CDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000886239401 845517151 /nfs/dbraw/zinc/51/71/51/845517151.db2.gz WDBUYOXKXXDOBQ-LLVKDONJSA-N 1 1 265.313 1.584 20 5 CDBDMO C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193507645 845551601 /nfs/dbraw/zinc/55/16/01/845551601.db2.gz DBDWZNCUJPOXJX-UHFFFAOYSA-N 1 1 290.323 1.231 20 5 CDBDMO CC(C)(C)C[N@@H+](CCO)Cc1cccnc1[N+](=O)[O-] ZINC000886001816 845606141 /nfs/dbraw/zinc/60/61/41/845606141.db2.gz KKGUAUWMOAMOOT-UHFFFAOYSA-N 1 1 267.329 1.830 20 5 CDBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931650736 845645168 /nfs/dbraw/zinc/64/51/68/845645168.db2.gz BSPINZHHOJSJSR-NSHDSACASA-N 1 1 297.742 1.862 20 5 CDBDMO Cn1nccc1[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000800859121 845741633 /nfs/dbraw/zinc/74/16/33/845741633.db2.gz GYWZAMIPKBQOKI-NSHDSACASA-N 1 1 290.327 1.362 20 5 CDBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000800859121 845741639 /nfs/dbraw/zinc/74/16/39/845741639.db2.gz GYWZAMIPKBQOKI-NSHDSACASA-N 1 1 290.327 1.362 20 5 CDBDMO C[N@@H+](C[C@H](O)COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000312839308 845863083 /nfs/dbraw/zinc/86/30/83/845863083.db2.gz FALPCMAFMUNCLV-NSHDSACASA-N 1 1 284.287 1.568 20 5 CDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C ZINC000866262562 845955304 /nfs/dbraw/zinc/95/53/04/845955304.db2.gz BUYNROVAJDFDOS-ZWNOBZJWSA-N 1 1 299.346 1.177 20 5 CDBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C[NH+](C)C ZINC000866262562 845955306 /nfs/dbraw/zinc/95/53/06/845955306.db2.gz BUYNROVAJDFDOS-ZWNOBZJWSA-N 1 1 299.346 1.177 20 5 CDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H]1C ZINC000851976109 845975031 /nfs/dbraw/zinc/97/50/31/845975031.db2.gz WWSVIMLLXQAFRM-DTWKUNHWSA-N 1 1 283.284 1.275 20 5 CDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H]1C ZINC000851976109 845975034 /nfs/dbraw/zinc/97/50/34/845975034.db2.gz WWSVIMLLXQAFRM-DTWKUNHWSA-N 1 1 283.284 1.275 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CF)C1 ZINC000880238461 846017064 /nfs/dbraw/zinc/01/70/64/846017064.db2.gz HIHJFASBZKZUSQ-LLVKDONJSA-N 1 1 270.308 1.781 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782613413 846048134 /nfs/dbraw/zinc/04/81/34/846048134.db2.gz ICBYBJQRSDHZCQ-SMDDNHRTSA-N 1 1 278.308 1.288 20 5 CDBDMO CO[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870899086 846083230 /nfs/dbraw/zinc/08/32/30/846083230.db2.gz HMJAKBINSSLYMC-TZMCWYRMSA-N 1 1 293.323 1.016 20 5 CDBDMO COCC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](C)C1 ZINC000790477715 846158383 /nfs/dbraw/zinc/15/83/83/846158383.db2.gz IWVAZMBDLYNELE-RYUDHWBXSA-N 1 1 282.344 1.886 20 5 CDBDMO COCC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H](C)C1 ZINC000790477715 846158391 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CDBDMO C[N@@H+](CCC1OCCO1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603814 947553788 /nfs/dbraw/zinc/55/37/88/947553788.db2.gz QXYYFESRAMCIQE-CQSZACIVSA-N 1 1 292.335 1.757 20 5 CDBDMO COC[C@H]1CC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611067 947556984 /nfs/dbraw/zinc/55/69/84/947556984.db2.gz UDVBXZQPIGTDEA-KGLIPLIRSA-N 1 1 262.309 1.783 20 5 CDBDMO [NH3+]C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246553358 948258089 /nfs/dbraw/zinc/25/80/89/948258089.db2.gz AYVJIPPKKRGYTI-MXWKQRLJSA-N 1 1 277.315 1.348 20 5 CDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065455 956465851 /nfs/dbraw/zinc/46/58/51/956465851.db2.gz ALFKLWKJXXPLHK-BPNCWPANSA-N 1 1 280.324 1.473 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001334076662 958813492 /nfs/dbraw/zinc/81/34/92/958813492.db2.gz VRMPXKVDAUUVTI-SECBINFHSA-N 1 1 296.302 1.807 20 5 CDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001322468651 960231785 /nfs/dbraw/zinc/23/17/85/960231785.db2.gz CRAUTEMEGIDUBO-NSHDSACASA-N 1 1 276.340 1.616 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337881332 961489000 /nfs/dbraw/zinc/48/90/00/961489000.db2.gz WKCMAEFFYVCCOK-SECBINFHSA-N 1 1 267.333 1.713 20 5 CDBDMO C[C@H]1CCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576744936 1171505349 /nfs/dbraw/zinc/50/53/49/1171505349.db2.gz NYUQLOMTVYGRAR-TVQRCGJNSA-N 1 1 263.297 1.390 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000070791836 342023893 /nfs/dbraw/zinc/02/38/93/342023893.db2.gz JIEUTDASAHOGBC-LLVKDONJSA-N 1 1 297.359 1.097 20 5 CDBDMO Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000590605284 342578281 /nfs/dbraw/zinc/57/82/81/342578281.db2.gz HNJFNXXCDLFVHC-SNVBAGLBSA-N 1 1 275.312 1.915 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157397839 342202604 /nfs/dbraw/zinc/20/26/04/342202604.db2.gz CDJWLTDLRYMOBS-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157397839 342202605 /nfs/dbraw/zinc/20/26/05/342202605.db2.gz CDJWLTDLRYMOBS-GXFFZTMASA-N 1 1 293.323 1.044 20 5 CDBDMO C[C@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066362 342870244 /nfs/dbraw/zinc/87/02/44/342870244.db2.gz WGGHBSVRYCVOAU-JTQLQIEISA-N 1 1 293.323 1.379 20 5 CDBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594066362 342870245 /nfs/dbraw/zinc/87/02/45/342870245.db2.gz WGGHBSVRYCVOAU-JTQLQIEISA-N 1 1 293.323 1.379 20 5 CDBDMO CC[N@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600717325 342244389 /nfs/dbraw/zinc/24/43/89/342244389.db2.gz QGLUIHFQALHCFZ-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO CC[N@@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600717325 342244390 /nfs/dbraw/zinc/24/43/90/342244390.db2.gz QGLUIHFQALHCFZ-UHFFFAOYSA-N 1 1 294.355 1.512 20 5 CDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCOCC[NH3+] ZINC000600737592 342246501 /nfs/dbraw/zinc/24/65/01/342246501.db2.gz WTOKSZXYDUNBBO-NSHDSACASA-N 1 1 267.329 1.563 20 5 CDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419793 342903211 /nfs/dbraw/zinc/90/32/11/342903211.db2.gz RLQRULLASIAIHI-WDEREUQCSA-N 1 1 293.327 1.065 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000055897517 349702153 /nfs/dbraw/zinc/70/21/53/349702153.db2.gz IWATYIQITLFUIQ-ZDUSSCGKSA-N 1 1 280.324 1.820 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000595005417 342995682 /nfs/dbraw/zinc/99/56/82/342995682.db2.gz YFXXVLNSGTWDEL-JTQLQIEISA-N 1 1 295.339 1.779 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388324 343052930 /nfs/dbraw/zinc/05/29/30/343052930.db2.gz GSJKMLBBYGKLQT-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000595388324 343052931 /nfs/dbraw/zinc/05/29/31/343052931.db2.gz GSJKMLBBYGKLQT-UWVGGRQHSA-N 1 1 269.301 1.484 20 5 CDBDMO CC[C@@]1(O)CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595449697 343054196 /nfs/dbraw/zinc/05/41/96/343054196.db2.gz RBSAGWVDZHHFRH-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595449697 343054197 /nfs/dbraw/zinc/05/41/97/343054197.db2.gz RBSAGWVDZHHFRH-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595429140 343057765 /nfs/dbraw/zinc/05/77/65/343057765.db2.gz MADMHCMRJPUSCK-HTQZYQBOSA-N 1 1 285.300 1.569 20 5 CDBDMO CO[C@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595541064 343093513 /nfs/dbraw/zinc/09/35/13/343093513.db2.gz QSPUBJSOEMXURD-QWRGUYRKSA-N 1 1 281.312 1.938 20 5 CDBDMO O=C1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453622172 252329082 /nfs/dbraw/zinc/32/90/82/252329082.db2.gz JHENWNDJSMVVIQ-GHMZBOCLSA-N 1 1 295.364 1.899 20 5 CDBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596147430 343244065 /nfs/dbraw/zinc/24/40/65/343244065.db2.gz WYZWOTHNRQFWAQ-GXSJLCMTSA-N 1 1 292.339 1.588 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000092455722 342412477 /nfs/dbraw/zinc/41/24/77/342412477.db2.gz IBVJRCCOMRIQAT-LBPRGKRZSA-N 1 1 250.298 1.860 20 5 CDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295005368 199296327 /nfs/dbraw/zinc/29/63/27/199296327.db2.gz RXKKYDWVBXJNTP-CYBMUJFWSA-N 1 1 279.340 1.854 20 5 CDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645362 343855705 /nfs/dbraw/zinc/85/57/05/343855705.db2.gz HVSCVSQZSSQVSA-STQMWFEESA-N 1 1 294.351 1.924 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000599421347 344052574 /nfs/dbraw/zinc/05/25/74/344052574.db2.gz DJWNLQWVFYYUQJ-UHFFFAOYSA-N 1 1 288.307 1.885 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000599421347 344052577 /nfs/dbraw/zinc/05/25/77/344052577.db2.gz DJWNLQWVFYYUQJ-UHFFFAOYSA-N 1 1 288.307 1.885 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000264958859 344316918 /nfs/dbraw/zinc/31/69/18/344316918.db2.gz FKYRLUVGUBOJGR-LBPRGKRZSA-N 1 1 266.297 1.430 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCCC1 ZINC000602765970 344573087 /nfs/dbraw/zinc/57/30/87/344573087.db2.gz JEKHDXPFKDSUOB-UHFFFAOYSA-N 1 1 252.318 1.974 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000265225694 362449678 /nfs/dbraw/zinc/44/96/78/362449678.db2.gz OFSXHUPKSCPIIO-QWRGUYRKSA-N 1 1 293.323 1.297 20 5 CDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000265225694 362449681 /nfs/dbraw/zinc/44/96/81/362449681.db2.gz OFSXHUPKSCPIIO-QWRGUYRKSA-N 1 1 293.323 1.297 20 5 CDBDMO COc1cc([N+](=O)[O-])cn(CCCn2cc[nH+]c2C)c1=O ZINC000603359674 344783262 /nfs/dbraw/zinc/78/32/62/344783262.db2.gz RPKCTAUGYLCEEI-UHFFFAOYSA-N 1 1 292.295 1.360 20 5 CDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000603859388 344840660 /nfs/dbraw/zinc/84/06/60/344840660.db2.gz MLKXIZXCDSNGBG-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000603859388 344840661 /nfs/dbraw/zinc/84/06/61/344840661.db2.gz MLKXIZXCDSNGBG-UHFFFAOYSA-N 1 1 291.351 1.692 20 5 CDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209468 362555836 /nfs/dbraw/zinc/55/58/36/362555836.db2.gz JRWGHHVDJPTNDX-UHFFFAOYSA-N 1 1 299.302 1.042 20 5 CDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000072672826 345350845 /nfs/dbraw/zinc/35/08/45/345350845.db2.gz OMLLJFRGMYLHEZ-ZDUSSCGKSA-N 1 1 294.355 1.759 20 5 CDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000314974884 535016273 /nfs/dbraw/zinc/01/62/73/535016273.db2.gz PZFNKNNXABVUKQ-SECBINFHSA-N 1 1 295.343 1.031 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000610506735 346297765 /nfs/dbraw/zinc/29/77/65/346297765.db2.gz SIJWCQYNJMJOLV-NEPJUHHUSA-N 1 1 275.308 1.448 20 5 CDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000610506735 346297768 /nfs/dbraw/zinc/29/77/68/346297768.db2.gz SIJWCQYNJMJOLV-NEPJUHHUSA-N 1 1 275.308 1.448 20 5 CDBDMO C[C@H](c1ccccn1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000091701586 180230446 /nfs/dbraw/zinc/23/04/46/180230446.db2.gz DHADJEHLVDHEDY-LLVKDONJSA-N 1 1 275.312 1.879 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000312406641 350768209 /nfs/dbraw/zinc/76/82/09/350768209.db2.gz MFZLYPNLPSHKGK-LBPRGKRZSA-N 1 1 282.340 1.903 20 5 CDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268294 186383935 /nfs/dbraw/zinc/38/39/35/186383935.db2.gz QDKXCFXTZYEZJP-GFCCVEGCSA-N 1 1 277.324 1.553 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364505766 363034715 /nfs/dbraw/zinc/03/47/15/363034715.db2.gz FHECFZVAYGPFQZ-CYBMUJFWSA-N 1 1 287.323 1.942 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000271561066 191212491 /nfs/dbraw/zinc/21/24/91/191212491.db2.gz NFDSBSQCHPALDQ-UHFFFAOYSA-N 1 1 288.307 1.885 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000271561066 191212492 /nfs/dbraw/zinc/21/24/92/191212492.db2.gz NFDSBSQCHPALDQ-UHFFFAOYSA-N 1 1 288.307 1.885 20 5 CDBDMO CSC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288118 198231767 /nfs/dbraw/zinc/23/17/67/198231767.db2.gz CEUGIFMTPSLTLW-NSHDSACASA-N 1 1 284.385 1.866 20 5 CDBDMO C[N@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000152918458 188052669 /nfs/dbraw/zinc/05/26/69/188052669.db2.gz ZPBXLXKIADTLJO-UHFFFAOYSA-N 1 1 275.312 1.361 20 5 CDBDMO CCOC[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400161 188139672 /nfs/dbraw/zinc/13/96/72/188139672.db2.gz OBRFSOIJBRRBNZ-WFASDCNBSA-N 1 1 294.351 1.987 20 5 CDBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000157321245 188309423 /nfs/dbraw/zinc/30/94/23/188309423.db2.gz IVOKQHRGKFNNPT-UHFFFAOYSA-N 1 1 278.312 1.001 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000411920352 363375073 /nfs/dbraw/zinc/37/50/73/363375073.db2.gz IJACSNIGOFPSGX-RYUDHWBXSA-N 1 1 296.323 1.185 20 5 CDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000411920352 363375081 /nfs/dbraw/zinc/37/50/81/363375081.db2.gz IJACSNIGOFPSGX-RYUDHWBXSA-N 1 1 296.323 1.185 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000366435417 363419040 /nfs/dbraw/zinc/41/90/40/363419040.db2.gz LGYGDJZEUAGMFV-URLYPYJESA-N 1 1 266.272 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000366435417 363419046 /nfs/dbraw/zinc/41/90/46/363419046.db2.gz LGYGDJZEUAGMFV-URLYPYJESA-N 1 1 266.272 1.404 20 5 CDBDMO C[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164850533 356253068 /nfs/dbraw/zinc/25/30/68/356253068.db2.gz NWNPFOIHWGCBPS-UHFFFAOYSA-N 1 1 289.129 1.781 20 5 CDBDMO C[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164850533 356253070 /nfs/dbraw/zinc/25/30/70/356253070.db2.gz NWNPFOIHWGCBPS-UHFFFAOYSA-N 1 1 289.129 1.781 20 5 CDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)[NH+]1C ZINC000358705839 356323975 /nfs/dbraw/zinc/32/39/75/356323975.db2.gz AKWJZSCDEPTKBC-IUCAKERBSA-N 1 1 266.301 1.088 20 5 CDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CSC[NH2+]1 ZINC000037810217 356539398 /nfs/dbraw/zinc/53/93/98/356539398.db2.gz USFFXABFRYJEFL-JTQLQIEISA-N 1 1 281.337 1.216 20 5 CDBDMO Cc1cc(OC[C@H](O)C[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529953 357210266 /nfs/dbraw/zinc/21/02/66/357210266.db2.gz DEFBZWVGSYSJKI-GFCCVEGCSA-N 1 1 280.324 1.737 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335818 357177942 /nfs/dbraw/zinc/17/79/42/357177942.db2.gz YWFKRWYKWFEZKW-JTQLQIEISA-N 1 1 266.297 1.836 20 5 CDBDMO Cc1c(C[N@H+](CC(N)=O)CC(C)C)cccc1[N+](=O)[O-] ZINC000051735627 357257663 /nfs/dbraw/zinc/25/76/63/357257663.db2.gz MVAKIURFCVHEBC-UHFFFAOYSA-N 1 1 279.340 1.847 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC1CC1 ZINC000282384086 357342532 /nfs/dbraw/zinc/34/25/32/357342532.db2.gz GGZMUYUDAQVFBC-UHFFFAOYSA-N 1 1 291.351 1.595 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC1CC1 ZINC000282384086 357342538 /nfs/dbraw/zinc/34/25/38/357342538.db2.gz GGZMUYUDAQVFBC-UHFFFAOYSA-N 1 1 291.351 1.595 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264605988 357441133 /nfs/dbraw/zinc/44/11/33/357441133.db2.gz GFPHMUFEQGOEDB-UHFFFAOYSA-N 1 1 277.324 1.763 20 5 CDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286646521 357650504 /nfs/dbraw/zinc/65/05/04/357650504.db2.gz DLFJLBWUMWBDGY-LLVKDONJSA-N 1 1 293.371 1.225 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)CN1C ZINC000408069228 357804905 /nfs/dbraw/zinc/80/49/05/357804905.db2.gz KJLMXLDEWHORGH-ZJUUUORDSA-N 1 1 293.323 1.465 20 5 CDBDMO COCC[N@@H+](C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000171070488 358176072 /nfs/dbraw/zinc/17/60/72/358176072.db2.gz HCBUJOKEFQBORW-UHFFFAOYSA-N 1 1 295.339 1.788 20 5 CDBDMO CCC[N@@H+](CC)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193664510 358314132 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C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC000230873364 358796836 /nfs/dbraw/zinc/79/68/36/358796836.db2.gz VXPJAVPROMHVIK-QMMMGPOBSA-N 1 1 251.290 1.279 20 5 CDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000106880174 359010458 /nfs/dbraw/zinc/01/04/58/359010458.db2.gz QIJYRCIPAUHTPD-GFCCVEGCSA-N 1 1 294.307 1.682 20 5 CDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCOC1 ZINC000106880174 359010459 /nfs/dbraw/zinc/01/04/59/359010459.db2.gz QIJYRCIPAUHTPD-GFCCVEGCSA-N 1 1 294.307 1.682 20 5 CDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120047889 359074138 /nfs/dbraw/zinc/07/41/38/359074138.db2.gz GOWZWJIKVCTHEG-JTQLQIEISA-N 1 1 295.364 1.971 20 5 CDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120047889 359074144 /nfs/dbraw/zinc/07/41/44/359074144.db2.gz GOWZWJIKVCTHEG-JTQLQIEISA-N 1 1 295.364 1.971 20 5 CDBDMO CC1(C)C[C@H](O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451802449 359082237 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O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCC[C@H]1O)CC2 ZINC000572164314 359949329 /nfs/dbraw/zinc/94/93/29/359949329.db2.gz ZTODOXKWBVINPA-IAQYHMDHSA-N 1 1 291.351 1.899 20 5 CDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCC[C@H]1O)CC2 ZINC000572164314 359949333 /nfs/dbraw/zinc/94/93/33/359949333.db2.gz ZTODOXKWBVINPA-IAQYHMDHSA-N 1 1 291.351 1.899 20 5 CDBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+](C)C1CC1 ZINC000176437288 360300143 /nfs/dbraw/zinc/30/01/43/360300143.db2.gz FYVYLYIKULFFKU-VIFPVBQESA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000180859725 189279726 /nfs/dbraw/zinc/27/97/26/189279726.db2.gz KUTUHDIJTZIYQW-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000180859725 189279727 /nfs/dbraw/zinc/27/97/27/189279727.db2.gz KUTUHDIJTZIYQW-UHFFFAOYSA-N 1 1 287.323 1.851 20 5 CDBDMO CC[N@@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174881177 364587807 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COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000153151015 367053852 /nfs/dbraw/zinc/05/38/52/367053852.db2.gz NDVCAODWRARUCU-GXTWGEPZSA-N 1 1 293.323 1.123 20 5 CDBDMO Cc1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692243 367777851 /nfs/dbraw/zinc/77/78/51/367777851.db2.gz SWXBAUPOHFXYLH-SNVBAGLBSA-N 1 1 262.313 1.947 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000226518875 368234269 /nfs/dbraw/zinc/23/42/69/368234269.db2.gz LWIUMPUCXPGYKS-SNVBAGLBSA-N 1 1 281.287 1.558 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441195656 368416866 /nfs/dbraw/zinc/41/68/66/368416866.db2.gz JDKTVVXSARVPMV-NEPJUHHUSA-N 1 1 294.355 1.577 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000047226730 284062331 /nfs/dbraw/zinc/06/23/31/284062331.db2.gz GSUWEFSKUVXFQK-TZMCWYRMSA-N 1 1 289.335 1.951 20 5 CDBDMO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527563 374388707 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CC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493587157 375466960 /nfs/dbraw/zinc/46/69/60/375466960.db2.gz QHVDLGCMQHGYQN-WSROAFLRSA-N 1 1 289.335 1.818 20 5 CDBDMO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000132183084 375408192 /nfs/dbraw/zinc/40/81/92/375408192.db2.gz LEBJDAZCSNDKHW-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000304316521 375428209 /nfs/dbraw/zinc/42/82/09/375428209.db2.gz ONPGJNGZVARSGT-MRVWCRGKSA-N 1 1 294.355 1.417 20 5 CDBDMO CCOc1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352792544 375539214 /nfs/dbraw/zinc/53/92/14/375539214.db2.gz MGSMRLOCQDPLDC-OLZOCXBDSA-N 1 1 296.323 1.185 20 5 CDBDMO CCOc1cc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352792544 375539221 /nfs/dbraw/zinc/53/92/21/375539221.db2.gz MGSMRLOCQDPLDC-OLZOCXBDSA-N 1 1 296.323 1.185 20 5 CDBDMO C[C@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347337704 375574253 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CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279167464 194313730 /nfs/dbraw/zinc/31/37/30/194313730.db2.gz GRKNSLNWBRWHMX-UHFFFAOYSA-N 1 1 296.302 1.094 20 5 CDBDMO Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450313209 251218245 /nfs/dbraw/zinc/21/82/45/251218245.db2.gz KMICEUIGYRMERQ-SNVBAGLBSA-N 1 1 265.317 1.081 20 5 CDBDMO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243040 253701620 /nfs/dbraw/zinc/70/16/20/253701620.db2.gz VOBKDLHOQTWZMU-GXFFZTMASA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243040 253701622 /nfs/dbraw/zinc/70/16/22/253701622.db2.gz VOBKDLHOQTWZMU-GXFFZTMASA-N 1 1 282.344 1.311 20 5 CDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)s1 ZINC000192466091 285175986 /nfs/dbraw/zinc/17/59/86/285175986.db2.gz KONUUANYCFAHDB-SECBINFHSA-N 1 1 266.326 1.502 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953093 390581338 /nfs/dbraw/zinc/58/13/38/390581338.db2.gz WYWQNIHRGUGUTB-LLVKDONJSA-N 1 1 264.329 1.909 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187403794 390560779 /nfs/dbraw/zinc/56/07/79/390560779.db2.gz XLVPZTVEVHPUHW-QMTHXVAHSA-N 1 1 291.351 1.989 20 5 CDBDMO Cc1c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000187403794 390560782 /nfs/dbraw/zinc/56/07/82/390560782.db2.gz XLVPZTVEVHPUHW-QMTHXVAHSA-N 1 1 291.351 1.989 20 5 CDBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000451079743 390592741 /nfs/dbraw/zinc/59/27/41/390592741.db2.gz AGYDERHIGMACKH-GFCCVEGCSA-N 1 1 293.371 1.207 20 5 CDBDMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247706724 390930194 /nfs/dbraw/zinc/93/01/94/390930194.db2.gz ZBRDXYAIRHOLFD-KGLIPLIRSA-N 1 1 296.371 1.664 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCCOCC1 ZINC000188490556 390962683 /nfs/dbraw/zinc/96/26/83/390962683.db2.gz DDXYVADGMQYAGT-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412040252 391071665 /nfs/dbraw/zinc/07/16/65/391071665.db2.gz QPAAHGJEEWSBHX-KOLCDFICSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000412040252 391071667 /nfs/dbraw/zinc/07/16/67/391071667.db2.gz QPAAHGJEEWSBHX-KOLCDFICSA-N 1 1 290.323 1.674 20 5 CDBDMO Cc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396846 391630549 /nfs/dbraw/zinc/63/05/49/391630549.db2.gz UPGRYJDRXAFVHU-AWEZNQCLSA-N 1 1 276.340 1.830 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000343990824 391639052 /nfs/dbraw/zinc/63/90/52/391639052.db2.gz KDTUOBXKTLEZMT-DGCLKSJQSA-N 1 1 296.371 1.520 20 5 CDBDMO Cc1c(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190905003 130160556 /nfs/dbraw/zinc/16/05/56/130160556.db2.gz QKVWHAPTJBNZSI-WDEREUQCSA-N 1 1 282.340 1.467 20 5 CDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189662459 391783558 /nfs/dbraw/zinc/78/35/58/391783558.db2.gz WERJJTJXAQOFBQ-GJZGRUSLSA-N 1 1 294.351 1.865 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267451 391933427 /nfs/dbraw/zinc/93/34/27/391933427.db2.gz FWLLLIHMPYMIAH-SECBINFHSA-N 1 1 293.327 1.065 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000153267451 391933441 /nfs/dbraw/zinc/93/34/41/391933441.db2.gz FWLLLIHMPYMIAH-SECBINFHSA-N 1 1 293.327 1.065 20 5 CDBDMO CC(C)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267102643 392072322 /nfs/dbraw/zinc/07/23/22/392072322.db2.gz UPUUUQVWVAFJPJ-LLVKDONJSA-N 1 1 252.318 1.912 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000523676187 392892100 /nfs/dbraw/zinc/89/21/00/392892100.db2.gz PVNNGFRHCZRUHF-LBPRGKRZSA-N 1 1 263.297 1.305 20 5 CDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425059731 392985235 /nfs/dbraw/zinc/98/52/35/392985235.db2.gz SMOYUQXPNFCREJ-GXSJLCMTSA-N 1 1 295.364 1.823 20 5 CDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255444 393094799 /nfs/dbraw/zinc/09/47/99/393094799.db2.gz FGOWKRUXIUEWCM-OAHLLOKOSA-N 1 1 291.351 1.861 20 5 CDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449701928 393138785 /nfs/dbraw/zinc/13/87/85/393138785.db2.gz RJPJUHOUZLVYQK-CQSZACIVSA-N 1 1 280.324 1.426 20 5 CDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431945 135106961 /nfs/dbraw/zinc/10/69/61/135106961.db2.gz VLHNSDWKNXXYJO-QWHCGFSZSA-N 1 1 293.367 1.795 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CO)C1 ZINC000245442814 140269042 /nfs/dbraw/zinc/26/90/42/140269042.db2.gz WPRZKCQWRIKHNV-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CO)C1 ZINC000245442814 140269043 /nfs/dbraw/zinc/26/90/43/140269043.db2.gz WPRZKCQWRIKHNV-WDEREUQCSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667533 140321341 /nfs/dbraw/zinc/32/13/41/140321341.db2.gz LBJPOVMQVYBFOY-QWRGUYRKSA-N 1 1 278.312 1.265 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067512 397910420 /nfs/dbraw/zinc/91/04/20/397910420.db2.gz NSZXJZPRYKVGLL-ZYHUDNBSSA-N 1 1 262.313 1.520 20 5 CDBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744939 398133430 /nfs/dbraw/zinc/13/34/30/398133430.db2.gz AJKAOAVQKFDZSW-ZYHUDNBSSA-N 1 1 280.324 1.806 20 5 CDBDMO CNC(=O)CCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000154737534 289216438 /nfs/dbraw/zinc/21/64/38/289216438.db2.gz JUFABCVTOKKLLB-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO CNC(=O)CCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000154737534 289216439 /nfs/dbraw/zinc/21/64/39/289216439.db2.gz JUFABCVTOKKLLB-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO CC[C@@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(N)=O ZINC000184264834 148342161 /nfs/dbraw/zinc/34/21/61/148342161.db2.gz PZUJOOVPDKRVMK-CYBMUJFWSA-N 1 1 299.302 1.486 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCO)CCO2 ZINC000352704502 155379798 /nfs/dbraw/zinc/37/97/98/155379798.db2.gz GHKJLNDGRWIYTP-UHFFFAOYSA-N 1 1 266.297 1.562 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCO)CCO2 ZINC000352704502 155379800 /nfs/dbraw/zinc/37/98/00/155379800.db2.gz GHKJLNDGRWIYTP-UHFFFAOYSA-N 1 1 266.297 1.562 20 5 CDBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000352214229 155029753 /nfs/dbraw/zinc/02/97/53/155029753.db2.gz YPKAYSVCKZFDNS-VIFPVBQESA-N 1 1 278.312 1.674 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375356531 160372384 /nfs/dbraw/zinc/37/23/84/160372384.db2.gz RCHXHVCVZQMCKV-OLZOCXBDSA-N 1 1 280.328 1.435 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000359741386 158358097 /nfs/dbraw/zinc/35/80/97/158358097.db2.gz DZDZONUHROUSFP-JTQLQIEISA-N 1 1 297.359 1.179 20 5 CDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000359760510 158365725 /nfs/dbraw/zinc/36/57/25/158365725.db2.gz GQFXQAGDZXKTGF-NSHDSACASA-N 1 1 297.359 1.028 20 5 CDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285111471 196199188 /nfs/dbraw/zinc/19/91/88/196199188.db2.gz HXPNWBZDDNZKFU-JTQLQIEISA-N 1 1 295.343 1.168 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285278738 196239269 /nfs/dbraw/zinc/23/92/69/196239269.db2.gz KGXHOEDAMSWIGE-CYBMUJFWSA-N 1 1 299.277 1.570 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285278738 196239270 /nfs/dbraw/zinc/23/92/70/196239270.db2.gz KGXHOEDAMSWIGE-CYBMUJFWSA-N 1 1 299.277 1.570 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563118 175206319 /nfs/dbraw/zinc/20/63/19/175206319.db2.gz DBYLDBUOXWTCBK-JTQLQIEISA-N 1 1 250.302 1.886 20 5 CDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727934 177377401 /nfs/dbraw/zinc/37/74/01/177377401.db2.gz SMJFPJHBGOQQRI-GFCCVEGCSA-N 1 1 298.339 1.037 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275751329 274118373 /nfs/dbraw/zinc/11/83/73/274118373.db2.gz DKJQCPYENHUJTQ-LLVKDONJSA-N 1 1 295.339 1.106 20 5 CDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000344420108 276240480 /nfs/dbraw/zinc/24/04/80/276240480.db2.gz JZFZKZYHVDUHOZ-PHIMTYICSA-N 1 1 294.355 1.488 20 5 CDBDMO C[N@H+]1CCO[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000357625389 277124377 /nfs/dbraw/zinc/12/43/77/277124377.db2.gz VXZBVRCRLDQYOL-VXGBXAGGSA-N 1 1 281.287 1.253 20 5 CDBDMO CCCC[N@H+](CC(N)=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048047729 279156178 /nfs/dbraw/zinc/15/61/78/279156178.db2.gz JLRDCTWGEQMHQH-UHFFFAOYSA-N 1 1 295.339 1.691 20 5 CDBDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048047729 279156179 /nfs/dbraw/zinc/15/61/79/279156179.db2.gz JLRDCTWGEQMHQH-UHFFFAOYSA-N 1 1 295.339 1.691 20 5 CDBDMO Cc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133627443 279199270 /nfs/dbraw/zinc/19/92/70/279199270.db2.gz RXWNYEIDPBRKND-NEPJUHHUSA-N 1 1 293.371 1.557 20 5 CDBDMO CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000570354187 294223083 /nfs/dbraw/zinc/22/30/83/294223083.db2.gz VJFMKYGYXBXGFH-TZMCWYRMSA-N 1 1 295.383 1.866 20 5 CDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658011 323292209 /nfs/dbraw/zinc/29/22/09/323292209.db2.gz SVBPIRLAAPKRHC-SNVBAGLBSA-N 1 1 284.316 1.065 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578771005 324022402 /nfs/dbraw/zinc/02/24/02/324022402.db2.gz AURFQKPIZQEMNU-NEPJUHHUSA-N 1 1 293.371 1.150 20 5 CDBDMO CC(C)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168966634 1161996321 /nfs/dbraw/zinc/99/63/21/1161996321.db2.gz KHRVLRBZHZAGCG-OCCSQVGLSA-N 1 1 269.389 1.894 20 5 CDBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246819823 524163542 /nfs/dbraw/zinc/16/35/42/524163542.db2.gz XBZXMWSTQASQBK-MRVWCRGKSA-N 1 1 296.371 1.663 20 5 CDBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934663 524957955 /nfs/dbraw/zinc/95/79/55/524957955.db2.gz WPRPKBAFPXTJNQ-MNOVXSKESA-N 1 1 296.323 1.437 20 5 CDBDMO Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338428274 526163092 /nfs/dbraw/zinc/16/30/92/526163092.db2.gz XNVQGERENUMPPV-UHFFFAOYSA-N 1 1 279.340 1.973 20 5 CDBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881185 536182484 /nfs/dbraw/zinc/18/24/84/536182484.db2.gz IKZDDDVTHUIHPB-VHSXEESVSA-N 1 1 281.360 1.785 20 5 CDBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881191 536182603 /nfs/dbraw/zinc/18/26/03/536182603.db2.gz IKZDDDVTHUIHPB-UWVGGRQHSA-N 1 1 281.360 1.785 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCO)CC2)n1 ZINC000765518436 576035537 /nfs/dbraw/zinc/03/55/37/576035537.db2.gz VUZFLVGURLUSIA-UHFFFAOYSA-N 1 1 294.355 1.193 20 5 CDBDMO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000747839647 576886758 /nfs/dbraw/zinc/88/67/58/576886758.db2.gz CNOWRICWOCMEHS-UHFFFAOYSA-N 1 1 295.314 1.882 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000748351187 576907589 /nfs/dbraw/zinc/90/75/89/576907589.db2.gz RRAAJCOHWPHEJY-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000748351187 576907590 /nfs/dbraw/zinc/90/75/90/576907590.db2.gz RRAAJCOHWPHEJY-SECBINFHSA-N 1 1 281.287 1.510 20 5 CDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000748492008 576914883 /nfs/dbraw/zinc/91/48/83/576914883.db2.gz NVCLSJWUXSZPCW-UHFFFAOYSA-N 1 1 294.307 1.474 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893940750 618204069 /nfs/dbraw/zinc/20/40/69/618204069.db2.gz PPKLKTYMIFCJSU-QMTHXVAHSA-N 1 1 299.334 1.678 20 5 CDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000928562948 619392424 /nfs/dbraw/zinc/39/24/24/619392424.db2.gz MBEBGCWNKADKLX-JTQLQIEISA-N 1 1 267.260 1.168 20 5 CDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000928562948 619392428 /nfs/dbraw/zinc/39/24/28/619392428.db2.gz MBEBGCWNKADKLX-JTQLQIEISA-N 1 1 267.260 1.168 20 5 CDBDMO Cc1cnc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246423 619491403 /nfs/dbraw/zinc/49/14/03/619491403.db2.gz OOTRGYCENRVFSG-AAEUAGOBSA-N 1 1 293.371 1.344 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000895556422 619725836 /nfs/dbraw/zinc/72/58/36/619725836.db2.gz AQBKMGHHCVMIFU-AOOOYVTPSA-N 1 1 264.281 1.761 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC2(C)COC2)c1[N+](=O)[O-] ZINC000895581470 619744851 /nfs/dbraw/zinc/74/48/51/619744851.db2.gz OVHLAMYWZMGENG-UHFFFAOYSA-N 1 1 296.323 1.777 20 5 CDBDMO C[NH+](C)CC(N)=NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000904438655 626297913 /nfs/dbraw/zinc/29/79/13/626297913.db2.gz XNNRTKFKVSVVNR-UHFFFAOYSA-N 1 1 288.254 1.433 20 5 CDBDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905179689 626663320 /nfs/dbraw/zinc/66/33/20/626663320.db2.gz LLTWXFAEEZRSIZ-LLVKDONJSA-N 1 1 286.353 1.105 20 5 CDBDMO CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001754513730 1185653631 /nfs/dbraw/zinc/65/36/31/1185653631.db2.gz GJHLSORMISQVEG-GHMZBOCLSA-N 1 1 269.345 1.080 20 5 CDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)c1 ZINC000312382373 1186697896 /nfs/dbraw/zinc/69/78/96/1186697896.db2.gz NJSBDMSYOFROKA-JTQLQIEISA-N 1 1 280.280 1.464 20 5 CDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000094774831 697777441 /nfs/dbraw/zinc/77/74/41/697777441.db2.gz DYFRPBQVEPCZJJ-SNVBAGLBSA-N 1 1 267.304 1.870 20 5 CDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000828987791 697894962 /nfs/dbraw/zinc/89/49/62/697894962.db2.gz LQJJKFGNVBXOOD-ABAIWWIYSA-N 1 1 289.335 1.938 20 5 CDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791632754 697913844 /nfs/dbraw/zinc/91/38/44/697913844.db2.gz RDRVAZGHNFOKAN-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@H](C[N+](=O)[O-])OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835468087 697954611 /nfs/dbraw/zinc/95/46/11/697954611.db2.gz YGIPPMZEMUMOLG-SECBINFHSA-N 1 1 276.252 1.089 20 5 CDBDMO Nc1ccc(-c2noc(C3([NH3+])CC3)n2)cc1[N+](=O)[O-] ZINC000843169400 698012820 /nfs/dbraw/zinc/01/28/20/698012820.db2.gz FRSKUGJODQKERN-UHFFFAOYSA-N 1 1 261.241 1.175 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000714035038 698021859 /nfs/dbraw/zinc/02/18/59/698021859.db2.gz DYDSEPNIFQAYHY-OCCSQVGLSA-N 1 1 280.324 1.221 20 5 CDBDMO C[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964578 698042322 /nfs/dbraw/zinc/04/23/22/698042322.db2.gz PLFCZCXFPJSKKO-ZIAGYGMSSA-N 1 1 295.383 1.232 20 5 CDBDMO C[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964578 698042329 /nfs/dbraw/zinc/04/23/29/698042329.db2.gz PLFCZCXFPJSKKO-ZIAGYGMSSA-N 1 1 295.383 1.232 20 5 CDBDMO C[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964578 698042333 /nfs/dbraw/zinc/04/23/33/698042333.db2.gz PLFCZCXFPJSKKO-ZIAGYGMSSA-N 1 1 295.383 1.232 20 5 CDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3COCCO3)nc2c1 ZINC000876951082 698101109 /nfs/dbraw/zinc/10/11/09/698101109.db2.gz CWXWODSXUKRKHD-SNVBAGLBSA-N 1 1 293.279 1.241 20 5 CDBDMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579240 698394063 /nfs/dbraw/zinc/39/40/63/698394063.db2.gz KGBNIQBQIZFRTI-GWCFXTLKSA-N 1 1 296.323 1.369 20 5 CDBDMO CC(C)(CCc1noc(C[NH2+]C[C@@H]2CCCO2)n1)[N+](=O)[O-] ZINC000843234558 698464448 /nfs/dbraw/zinc/46/44/48/698464448.db2.gz VJROTRIZEAXGQV-JTQLQIEISA-N 1 1 298.343 1.326 20 5 CDBDMO C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCN1C ZINC000780563660 698780079 /nfs/dbraw/zinc/78/00/79/698780079.db2.gz UHMXLAIRHRMGLJ-VIFPVBQESA-N 1 1 279.296 1.077 20 5 CDBDMO Cc1cc(Cc2noc([C@H](C)[NH3+])n2)ccc1[N+](=O)[O-] ZINC000843191714 698789593 /nfs/dbraw/zinc/78/95/93/698789593.db2.gz KSHPWNBAJIRDNL-QMMMGPOBSA-N 1 1 262.269 1.897 20 5 CDBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000819010429 698805069 /nfs/dbraw/zinc/80/50/69/698805069.db2.gz DBTPEOFZELYPBH-XHDPSFHLSA-N 1 1 293.367 1.701 20 5 CDBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000819010429 698805070 /nfs/dbraw/zinc/80/50/70/698805070.db2.gz DBTPEOFZELYPBH-XHDPSFHLSA-N 1 1 293.367 1.701 20 5 CDBDMO Cc1c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000877612728 698891281 /nfs/dbraw/zinc/89/12/81/698891281.db2.gz VSGYQNIEZORBEN-CQSZACIVSA-N 1 1 291.351 1.154 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000882483385 698951735 /nfs/dbraw/zinc/95/17/35/698951735.db2.gz ZFGOXLKOWXDMCE-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000776272273 698998474 /nfs/dbraw/zinc/99/84/74/698998474.db2.gz SJMHCOUJQDWWAP-RISCZKNCSA-N 1 1 280.324 1.333 20 5 CDBDMO O=[N+]([O-])CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000791054370 699007347 /nfs/dbraw/zinc/00/73/47/699007347.db2.gz ZUZSZWKIRCJMRX-UHFFFAOYSA-N 1 1 272.308 1.929 20 5 CDBDMO O=[N+]([O-])CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000791054370 699007348 /nfs/dbraw/zinc/00/73/48/699007348.db2.gz ZUZSZWKIRCJMRX-UHFFFAOYSA-N 1 1 272.308 1.929 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000928564648 704816829 /nfs/dbraw/zinc/81/68/29/704816829.db2.gz WKDHQXVQRRRCKD-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928564648 704816833 /nfs/dbraw/zinc/81/68/33/704816833.db2.gz WKDHQXVQRRRCKD-JTQLQIEISA-N 1 1 263.297 1.337 20 5 CDBDMO C[C@@H]1NCCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925517099 704887786 /nfs/dbraw/zinc/88/77/86/704887786.db2.gz YVVBQPJNJXEWRL-AAEUAGOBSA-N 1 1 263.341 1.867 20 5 CDBDMO COc1cc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])cc1C ZINC000884825112 705091629 /nfs/dbraw/zinc/09/16/29/705091629.db2.gz FQEHBXTUWUJDLT-UHFFFAOYSA-N 1 1 283.328 1.248 20 5 CDBDMO CCCC[N@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055953 848050898 /nfs/dbraw/zinc/05/08/98/848050898.db2.gz ILQNQSYVZYTJQP-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO CCCC[N@@H+](C)CCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819055953 848050904 /nfs/dbraw/zinc/05/09/04/848050904.db2.gz ILQNQSYVZYTJQP-HNNXBMFYSA-N 1 1 295.383 1.950 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346076 848113700 /nfs/dbraw/zinc/11/37/00/848113700.db2.gz AEQSMHMUTQUEIT-GRYCIOLGSA-N 1 1 278.308 1.286 20 5 CDBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])c1 ZINC000929313619 848237226 /nfs/dbraw/zinc/23/72/26/848237226.db2.gz DVOGOVIVYSREDH-ZDUSSCGKSA-N 1 1 264.325 1.979 20 5 CDBDMO O=[N+]([O-])CCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000931492772 848477270 /nfs/dbraw/zinc/47/72/70/848477270.db2.gz FNWAPFXJZHRNGS-KBPBESRZSA-N 1 1 261.325 1.222 20 5 CDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000162816395 848548944 /nfs/dbraw/zinc/54/89/44/848548944.db2.gz TUQUXGNKSJPYPM-ZJUUUORDSA-N 1 1 268.288 1.937 20 5 CDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000110696404 848797908 /nfs/dbraw/zinc/79/79/08/848797908.db2.gz NTYSEJKCVGRDQJ-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000110696404 848797918 /nfs/dbraw/zinc/79/79/18/848797918.db2.gz NTYSEJKCVGRDQJ-SNVBAGLBSA-N 1 1 292.339 1.343 20 5 CDBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054212 848932377 /nfs/dbraw/zinc/93/23/77/848932377.db2.gz YSLYYYOWNITHDJ-NEPJUHHUSA-N 1 1 271.361 1.280 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886100628 849213619 /nfs/dbraw/zinc/21/36/19/849213619.db2.gz SWWCAARCEKWXJZ-WDEREUQCSA-N 1 1 264.329 1.514 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1F ZINC000801547314 849373253 /nfs/dbraw/zinc/37/32/53/849373253.db2.gz NIEICEPVALCSHP-MFKMUULPSA-N 1 1 266.272 1.548 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1F ZINC000801547314 849373264 /nfs/dbraw/zinc/37/32/64/849373264.db2.gz NIEICEPVALCSHP-MFKMUULPSA-N 1 1 266.272 1.548 20 5 CDBDMO CNC(=O)c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000929089998 849400597 /nfs/dbraw/zinc/40/05/97/849400597.db2.gz VZYIUSYUPFQHBO-UHFFFAOYSA-N 1 1 277.324 1.287 20 5 CDBDMO CNC(=O)c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000929089998 849400601 /nfs/dbraw/zinc/40/06/01/849400601.db2.gz VZYIUSYUPFQHBO-UHFFFAOYSA-N 1 1 277.324 1.287 20 5 CDBDMO C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597414 849571610 /nfs/dbraw/zinc/57/16/10/849571610.db2.gz LFYKCLCWSOSTQL-AWEZNQCLSA-N 1 1 293.367 1.654 20 5 CDBDMO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923518169 850009910 /nfs/dbraw/zinc/00/99/10/850009910.db2.gz IYXSTXGUSVQPNS-QWHCGFSZSA-N 1 1 291.351 1.515 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)C2CC2)cc1 ZINC000776578181 850170269 /nfs/dbraw/zinc/17/02/69/850170269.db2.gz CGHOGFPEIASQTJ-CYBMUJFWSA-N 1 1 266.297 1.085 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886157749 850488957 /nfs/dbraw/zinc/48/89/57/850488957.db2.gz JZDWKMVRWLVYKH-PEGIJTEDSA-N 1 1 265.313 1.724 20 5 CDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886157749 850488964 /nfs/dbraw/zinc/48/89/64/850488964.db2.gz JZDWKMVRWLVYKH-PEGIJTEDSA-N 1 1 265.313 1.724 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2CC([NH3+])C2)c1F ZINC001173182635 912281687 /nfs/dbraw/zinc/28/16/87/912281687.db2.gz IWIZOBAFZNFHST-XNWIYYODSA-N 1 1 297.330 1.753 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001173223034 912309869 /nfs/dbraw/zinc/30/98/69/912309869.db2.gz WPOFYKWXNUSPDR-WDMOLILDSA-N 1 1 264.325 1.838 20 5 CDBDMO O=[N+]([O-])c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001226712271 905508776 /nfs/dbraw/zinc/50/87/76/905508776.db2.gz JZICGPNUAPTYEV-SNVBAGLBSA-N 1 1 260.253 1.580 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168968081 927592584 /nfs/dbraw/zinc/59/25/84/927592584.db2.gz VHXNOMXMIITGRZ-MXWKQRLJSA-N 1 1 258.318 1.219 20 5 CDBDMO CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168973885 927596728 /nfs/dbraw/zinc/59/67/28/927596728.db2.gz PIDWXEYVVKDVLJ-WOPDTQHZSA-N 1 1 272.345 1.609 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3ncsc3C2)C1 ZINC001169033304 927640243 /nfs/dbraw/zinc/64/02/43/927640243.db2.gz BSXMGTCTBLXWOB-NXEZZACHSA-N 1 1 267.354 1.947 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccncc3)C2)C1 ZINC001169039480 927650959 /nfs/dbraw/zinc/65/09/59/927650959.db2.gz QAVVYOKIMYSNSI-SNPRPXQTSA-N 1 1 291.351 1.900 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccncc3)C2)C1 ZINC001169039480 927650964 /nfs/dbraw/zinc/65/09/64/927650964.db2.gz QAVVYOKIMYSNSI-SNPRPXQTSA-N 1 1 291.351 1.900 20 5 CDBDMO CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039018 927651486 /nfs/dbraw/zinc/65/14/86/927651486.db2.gz MJYKBFDKVQOIHH-NDBYEHHHSA-N 1 1 254.330 1.685 20 5 CDBDMO CCN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051404 927669175 /nfs/dbraw/zinc/66/91/75/927669175.db2.gz DOPHIHTZQFPZSW-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051404 927669184 /nfs/dbraw/zinc/66/91/84/927669184.db2.gz DOPHIHTZQFPZSW-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@H+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051404 927669189 /nfs/dbraw/zinc/66/91/89/927669189.db2.gz DOPHIHTZQFPZSW-JHJVBQTASA-N 1 1 255.362 1.458 20 5 CDBDMO CCOc1nc(N2CC[C@@H]2[NH2+]C)ccc1[N+](=O)[O-] ZINC001156659584 928893626 /nfs/dbraw/zinc/89/36/26/928893626.db2.gz MNHRUHRCODQHGK-SECBINFHSA-N 1 1 252.274 1.144 20 5 CDBDMO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)C(C)C)C2)n1 ZINC001157010029 929100846 /nfs/dbraw/zinc/10/08/46/929100846.db2.gz 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CC(C)[N@@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001157002261 938444760 /nfs/dbraw/zinc/44/47/60/938444760.db2.gz WBJJFFMDLLYAOB-GFCCVEGCSA-N 1 1 280.328 1.147 20 5 CDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001157021679 938446493 /nfs/dbraw/zinc/44/64/93/938446493.db2.gz QYAHLKHBEWNIJJ-JTQLQIEISA-N 1 1 279.344 1.491 20 5 CDBDMO Cc1cnc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260250 938470403 /nfs/dbraw/zinc/47/04/03/938470403.db2.gz IQCPCKYANYOSFI-DGCLKSJQSA-N 1 1 276.340 1.829 20 5 CDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C)n3)C[C@H]2C1 ZINC001157700141 938534291 /nfs/dbraw/zinc/53/42/91/938534291.db2.gz OEIYKQPAUFRAJN-TXEJJXNPSA-N 1 1 291.355 1.471 20 5 CDBDMO [NH3+]Cc1ncn(-c2ccc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001157928099 938564327 /nfs/dbraw/zinc/56/43/27/938564327.db2.gz AOXVRRQOSBFUSG-UHFFFAOYSA-N 1 1 270.252 1.182 20 5 CDBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3CC[C@H]3C2)nc2[nH]ccc21 ZINC001158431637 938624427 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C[N@H+]1CC[C@H](Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225775564 941912698 /nfs/dbraw/zinc/91/26/98/941912698.db2.gz FMQIQUQACKLJSX-ZETCQYMHSA-N 1 1 258.224 1.956 20 5 CDBDMO Cc1cnc(O[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001227234266 942154511 /nfs/dbraw/zinc/15/45/11/942154511.db2.gz FLCJMVYXTDCBJB-JTQLQIEISA-N 1 1 251.286 1.771 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227237642 942155109 /nfs/dbraw/zinc/15/51/09/942155109.db2.gz WROIHXYYIHVVJU-LLVKDONJSA-N 1 1 281.312 1.398 20 5 CDBDMO O=[N+]([O-])c1c[n+]([O-])ccc1OC1CC[NH+](CCF)CC1 ZINC001229453022 942476704 /nfs/dbraw/zinc/47/67/04/942476704.db2.gz ZOONBOOBTQCSMP-UHFFFAOYSA-N 1 1 285.275 1.041 20 5 CDBDMO C[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233701778 943643607 /nfs/dbraw/zinc/64/36/07/943643607.db2.gz GJBVTEDIPQQUBY-SNVBAGLBSA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C ZINC001254562147 947525471 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CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000535741874 282276668 /nfs/dbraw/zinc/27/66/68/282276668.db2.gz NHNHFYLZBFIRIK-GHMZBOCLSA-N 1 1 294.355 1.488 20 5 CDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 ZINC000597716274 343609225 /nfs/dbraw/zinc/60/92/25/343609225.db2.gz QKIVEMMPEMFRSZ-AWEZNQCLSA-N 1 1 292.339 1.481 20 5 CDBDMO C[C@H](O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000159546381 362286015 /nfs/dbraw/zinc/28/60/15/362286015.db2.gz PKUVSYGLAMXTCE-JTQLQIEISA-N 1 1 281.312 1.236 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000602770113 344574756 /nfs/dbraw/zinc/57/47/56/344574756.db2.gz WAQVIPNDSIUXSW-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000602770113 344574757 /nfs/dbraw/zinc/57/47/57/344574757.db2.gz WAQVIPNDSIUXSW-JTQLQIEISA-N 1 1 282.344 1.599 20 5 CDBDMO CC[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602774429 344577684 /nfs/dbraw/zinc/57/76/84/344577684.db2.gz ZKCOPRYPGOXPQR-NSHDSACASA-N 1 1 252.318 1.974 20 5 CDBDMO CC[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786196 344599038 /nfs/dbraw/zinc/59/90/38/344599038.db2.gz CRCFELYHHCIWPU-NSHDSACASA-N 1 1 252.318 1.832 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000602816775 344607361 /nfs/dbraw/zinc/60/73/61/344607361.db2.gz OWYDDFVGRAFUDZ-UHFFFAOYSA-N 1 1 295.387 1.516 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1(N(C)C)CCC1 ZINC000602816775 344607362 /nfs/dbraw/zinc/60/73/62/344607362.db2.gz OWYDDFVGRAFUDZ-UHFFFAOYSA-N 1 1 295.387 1.516 20 5 CDBDMO CC[C@]1(C)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602817825 344607913 /nfs/dbraw/zinc/60/79/13/344607913.db2.gz UBHBSUCIIFORKF-CYBMUJFWSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@]1(C)C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000602817825 344607914 /nfs/dbraw/zinc/60/79/14/344607914.db2.gz UBHBSUCIIFORKF-CYBMUJFWSA-N 1 1 282.344 1.601 20 5 CDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000603706521 344827622 /nfs/dbraw/zinc/82/76/22/344827622.db2.gz QOHSMMVIEOYFHM-GHMZBOCLSA-N 1 1 292.339 1.290 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000072714488 345356464 /nfs/dbraw/zinc/35/64/64/345356464.db2.gz SQLXTECYYOUBMN-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC000072714488 345356468 /nfs/dbraw/zinc/35/64/68/345356468.db2.gz SQLXTECYYOUBMN-NSHDSACASA-N 1 1 295.339 1.544 20 5 CDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295136775 199365497 /nfs/dbraw/zinc/36/54/97/199365497.db2.gz BPWGGRQOFILBMR-ZDUSSCGKSA-N 1 1 282.340 1.579 20 5 CDBDMO CN(C)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610487465 346292767 /nfs/dbraw/zinc/29/27/67/346292767.db2.gz MWJVLFMCGQMEHE-UHFFFAOYSA-N 1 1 251.330 1.631 20 5 CDBDMO CN(C)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610487465 346292770 /nfs/dbraw/zinc/29/27/70/346292770.db2.gz MWJVLFMCGQMEHE-UHFFFAOYSA-N 1 1 251.330 1.631 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545161482 362693509 /nfs/dbraw/zinc/69/35/09/362693509.db2.gz XABBMTXZOSCVER-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000545161482 362693511 /nfs/dbraw/zinc/69/35/11/362693511.db2.gz XABBMTXZOSCVER-WFASDCNBSA-N 1 1 293.367 1.620 20 5 CDBDMO CC(C)(C)[C@@H](C[NH3+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000420367074 535041073 /nfs/dbraw/zinc/04/10/73/535041073.db2.gz SAWOMHAOJVUMFR-CYBMUJFWSA-N 1 1 281.356 1.937 20 5 CDBDMO Cc1[nH+]ccn1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030696128 346583174 /nfs/dbraw/zinc/58/31/74/346583174.db2.gz BELXRPMSDLWRKJ-UHFFFAOYSA-N 1 1 260.253 1.738 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092020 346605534 /nfs/dbraw/zinc/60/55/34/346605534.db2.gz GSTLZNLIPDVFNW-ZDUSSCGKSA-N 1 1 293.367 2.000 20 5 CDBDMO O=C(CC[N@@H+]1CCC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886275 348712239 /nfs/dbraw/zinc/71/22/39/348712239.db2.gz ZTVRYGXKPYONBG-ZDUSSCGKSA-N 1 1 293.323 1.380 20 5 CDBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000109848550 186276959 /nfs/dbraw/zinc/27/69/59/186276959.db2.gz FWFCCPCOWZWERO-LLVKDONJSA-N 1 1 277.324 1.585 20 5 CDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652172 186311074 /nfs/dbraw/zinc/31/10/74/186311074.db2.gz ISVMOPYRQJTACY-SECBINFHSA-N 1 1 281.287 1.415 20 5 CDBDMO Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312522554 350783388 /nfs/dbraw/zinc/78/33/88/350783388.db2.gz OSMMFDWSXLPOSB-ZJUUUORDSA-N 1 1 277.328 1.611 20 5 CDBDMO Cc1c(C[NH2+]Cc2csc([N+](=O)[O-])c2)cnn1C ZINC000156590566 188270929 /nfs/dbraw/zinc/27/09/29/188270929.db2.gz JGQZBTSCEKCSGP-UHFFFAOYSA-N 1 1 266.326 1.988 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)C2)c2c(c1)COCO2 ZINC000157449653 188317780 /nfs/dbraw/zinc/31/77/80/188317780.db2.gz ZXVNHLCICVNHCI-JTQLQIEISA-N 1 1 294.307 1.276 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CO)C2)c2c(c1)COCO2 ZINC000157449653 188317782 /nfs/dbraw/zinc/31/77/82/188317782.db2.gz ZXVNHLCICVNHCI-JTQLQIEISA-N 1 1 294.307 1.276 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286261177 356239084 /nfs/dbraw/zinc/23/90/84/356239084.db2.gz AXRFBICXRAHDBK-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO CCOc1cc(C[N@@H+](C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000286448147 356422600 /nfs/dbraw/zinc/42/26/00/356422600.db2.gz MDDYCTGTGDVBIQ-UHFFFAOYSA-N 1 1 281.312 1.301 20 5 CDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993267 357151112 /nfs/dbraw/zinc/15/11/12/357151112.db2.gz ZMEXEXMKQZDPNA-NXEZZACHSA-N 1 1 279.296 1.544 20 5 CDBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291688 357219259 /nfs/dbraw/zinc/21/92/59/357219259.db2.gz SZRMGEFZGKXSDF-PRHODGIISA-N 1 1 284.287 1.555 20 5 CDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000341291688 357219265 /nfs/dbraw/zinc/21/92/65/357219265.db2.gz SZRMGEFZGKXSDF-PRHODGIISA-N 1 1 284.287 1.555 20 5 CDBDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000282709073 357472415 /nfs/dbraw/zinc/47/24/15/357472415.db2.gz PKQXYTCWRRDGHJ-SECBINFHSA-N 1 1 269.276 1.159 20 5 CDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000264650681 357638454 /nfs/dbraw/zinc/63/84/54/357638454.db2.gz XCIXINSLFVULNW-CYBMUJFWSA-N 1 1 292.339 1.347 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152343 358201047 /nfs/dbraw/zinc/20/10/47/358201047.db2.gz ZMJRGSZRVNVZPL-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152343 358201052 /nfs/dbraw/zinc/20/10/52/358201052.db2.gz ZMJRGSZRVNVZPL-VHSXEESVSA-N 1 1 292.339 1.342 20 5 CDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159460 366409579 /nfs/dbraw/zinc/40/95/79/366409579.db2.gz GIACIYWCPJCJGB-VIFPVBQESA-N 1 1 267.285 1.402 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000101962021 358867268 /nfs/dbraw/zinc/86/72/68/358867268.db2.gz ZQABRKYXDCNADT-UHFFFAOYSA-N 1 1 267.285 1.402 20 5 CDBDMO Cc1nc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450478829 358920538 /nfs/dbraw/zinc/92/05/38/358920538.db2.gz JLEDDUKBAZQURF-GFCCVEGCSA-N 1 1 279.344 1.470 20 5 CDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291316995 358929069 /nfs/dbraw/zinc/92/90/69/358929069.db2.gz UGVPAQWBRIMNEW-BXUZGUMPSA-N 1 1 282.340 1.985 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187570 358950434 /nfs/dbraw/zinc/95/04/34/358950434.db2.gz PVSWODZJZYPBPF-JTQLQIEISA-N 1 1 263.297 1.276 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353009834 359055706 /nfs/dbraw/zinc/05/57/06/359055706.db2.gz ROWVAGDDCJWBLS-VIFPVBQESA-N 1 1 290.270 1.352 20 5 CDBDMO Cc1c(CN2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000047496042 359170782 /nfs/dbraw/zinc/17/07/82/359170782.db2.gz BIQXUHZMSPDRLZ-UHFFFAOYSA-N 1 1 279.340 1.013 20 5 CDBDMO CC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037621 359277808 /nfs/dbraw/zinc/27/78/08/359277808.db2.gz NDFXUNQHVWRKDR-JQWIXIFHSA-N 1 1 280.328 1.247 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000112925361 359365195 /nfs/dbraw/zinc/36/51/95/359365195.db2.gz NMKMNECXLVBDCU-UHFFFAOYSA-N 1 1 281.312 1.285 20 5 CDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457282 359481213 /nfs/dbraw/zinc/48/12/13/359481213.db2.gz LFYIAAIWSLTZDK-FZMZJTMJSA-N 1 1 264.325 1.840 20 5 CDBDMO Cc1c(C[N@@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340217854 359612577 /nfs/dbraw/zinc/61/25/77/359612577.db2.gz DQEVTFZBESXNJH-LBPRGKRZSA-N 1 1 263.297 1.224 20 5 CDBDMO Cc1c(C[N@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340217854 359612583 /nfs/dbraw/zinc/61/25/83/359612583.db2.gz DQEVTFZBESXNJH-LBPRGKRZSA-N 1 1 263.297 1.224 20 5 CDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408391977 359727996 /nfs/dbraw/zinc/72/79/96/359727996.db2.gz AMYOVOOGGCNOPI-MNOVXSKESA-N 1 1 292.339 1.622 20 5 CDBDMO Cc1c(C[N@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177995571 189084341 /nfs/dbraw/zinc/08/43/41/189084341.db2.gz XLCMAHHYDCHWPL-CYBMUJFWSA-N 1 1 250.298 1.860 20 5 CDBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580755722 363943929 /nfs/dbraw/zinc/94/39/29/363943929.db2.gz AHOCRQPQJRQJLL-CMPLNLGQSA-N 1 1 277.324 1.724 20 5 CDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCn4cc([N+](=O)[O-])cn4)[C@H]1[C@H]3C2 ZINC000367582954 363993261 /nfs/dbraw/zinc/99/32/61/363993261.db2.gz ACRPDPXJOZMENG-OIAGVMEESA-N 1 1 292.339 1.147 20 5 CDBDMO Cc1cnc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275374997 193012887 /nfs/dbraw/zinc/01/28/87/193012887.db2.gz AEAILFLQJWYGJT-UHFFFAOYSA-N 1 1 280.328 1.432 20 5 CDBDMO Cc1c(C[N@@H+](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000275492145 193058230 /nfs/dbraw/zinc/05/82/30/193058230.db2.gz FXVOBDPQTVCDOI-UHFFFAOYSA-N 1 1 294.351 1.877 20 5 CDBDMO CCCc1[nH+]ccn1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270559095 366899852 /nfs/dbraw/zinc/89/98/52/366899852.db2.gz KHEXHTZMSMBEFV-UHFFFAOYSA-N 1 1 276.296 1.606 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000386501088 367013241 /nfs/dbraw/zinc/01/32/41/367013241.db2.gz AQBIELVYHOXZRB-LLVKDONJSA-N 1 1 296.323 1.437 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352016232 367336804 /nfs/dbraw/zinc/33/68/04/367336804.db2.gz VZMWCRVYBDYBHL-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352016232 367336808 /nfs/dbraw/zinc/33/68/08/367336808.db2.gz VZMWCRVYBDYBHL-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272628265 367783998 /nfs/dbraw/zinc/78/39/98/367783998.db2.gz MVDAFGKHMWGCSU-RISCZKNCSA-N 1 1 289.335 1.761 20 5 CDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC[C@H]1CCO ZINC000330620169 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O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000298474119 373666009 /nfs/dbraw/zinc/66/60/09/373666009.db2.gz CKOCKDYPASWOIX-KBPBESRZSA-N 1 1 289.335 1.951 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000296092473 373753335 /nfs/dbraw/zinc/75/33/35/373753335.db2.gz WRAFWWRERMZURG-UHFFFAOYSA-N 1 1 299.334 1.976 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000296092473 373753342 /nfs/dbraw/zinc/75/33/42/373753342.db2.gz WRAFWWRERMZURG-UHFFFAOYSA-N 1 1 299.334 1.976 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000356837306 374008397 /nfs/dbraw/zinc/00/83/97/374008397.db2.gz DBMOPRZKFQJYDL-DTWKUNHWSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000356837306 374008407 /nfs/dbraw/zinc/00/84/07/374008407.db2.gz DBMOPRZKFQJYDL-DTWKUNHWSA-N 1 1 267.285 1.352 20 5 CDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356854335 374099630 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C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527560 374387791 /nfs/dbraw/zinc/38/77/91/374387791.db2.gz RWXCVSLYULSYSW-GWCFXTLKSA-N 1 1 265.313 1.234 20 5 CDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3CCC2CC3)c1 ZINC000378378442 374644196 /nfs/dbraw/zinc/64/41/96/374644196.db2.gz FNDSWHKIJPIYOW-XIVSLSHWSA-N 1 1 280.328 1.027 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279924787 374976093 /nfs/dbraw/zinc/97/60/93/374976093.db2.gz GKSMUHVFCOPPJD-UHFFFAOYSA-N 1 1 289.335 1.895 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000332213438 375017024 /nfs/dbraw/zinc/01/70/24/375017024.db2.gz KFYOLAXUYHSTMW-LSDHHAIUSA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000332213438 375017028 /nfs/dbraw/zinc/01/70/28/375017028.db2.gz KFYOLAXUYHSTMW-LSDHHAIUSA-N 1 1 291.351 1.418 20 5 CDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827807 375026765 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JXCQGOWSFUPJDJ-UXBLZVDNSA-N 1 1 263.297 1.415 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000355328515 375790496 /nfs/dbraw/zinc/79/04/96/375790496.db2.gz HXVWHLNZGZIYCV-DTORHVGOSA-N 1 1 250.302 1.416 20 5 CDBDMO C[N@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000229822507 375960297 /nfs/dbraw/zinc/96/02/97/375960297.db2.gz CFLNKUZDYALQLF-YVMONPNESA-N 1 1 289.335 1.772 20 5 CDBDMO C[N@H+]1CC[C@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325093 375960625 /nfs/dbraw/zinc/96/06/25/375960625.db2.gz AJKBMLNYCGFPIE-LBPRGKRZSA-N 1 1 251.286 1.073 20 5 CDBDMO CC[N@H+](CCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000266850620 377563866 /nfs/dbraw/zinc/56/38/66/377563866.db2.gz CVGOVYGHXGVMQN-UHFFFAOYSA-N 1 1 295.339 1.262 20 5 CDBDMO CC[N@@H+](CCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000266850620 377563883 /nfs/dbraw/zinc/56/38/83/377563883.db2.gz CVGOVYGHXGVMQN-UHFFFAOYSA-N 1 1 295.339 1.262 20 5 CDBDMO CNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245005 379411804 /nfs/dbraw/zinc/41/18/04/379411804.db2.gz QLUDIRAVRKZOMO-UHFFFAOYSA-N 1 1 293.323 1.184 20 5 CDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCOC1 ZINC000174853184 379591892 /nfs/dbraw/zinc/59/18/92/379591892.db2.gz DAXCGZOSJURJRI-NSHDSACASA-N 1 1 268.317 1.150 20 5 CDBDMO CCC(CC)C[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174730603 379557522 /nfs/dbraw/zinc/55/75/22/379557522.db2.gz VOXUTRXXPWXPKW-AWEZNQCLSA-N 1 1 298.387 1.910 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000175232705 379674965 /nfs/dbraw/zinc/67/49/65/379674965.db2.gz BWWDCVJNKALHAH-SECBINFHSA-N 1 1 283.353 1.744 20 5 CDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000175232705 379674970 /nfs/dbraw/zinc/67/49/70/379674970.db2.gz BWWDCVJNKALHAH-SECBINFHSA-N 1 1 283.353 1.744 20 5 CDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491577325 253091828 /nfs/dbraw/zinc/09/18/28/253091828.db2.gz VMGQIDZVJHAZNT-GUOLPTJISA-N 1 1 289.335 1.771 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207609 253696126 /nfs/dbraw/zinc/69/61/26/253696126.db2.gz YHEGJENXSHALSX-CQSZACIVSA-N 1 1 280.324 1.820 20 5 CDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000423466158 285169558 /nfs/dbraw/zinc/16/95/58/285169558.db2.gz YFAOKCUIIFPVSU-MOWSAHLDSA-N 1 1 291.355 1.082 20 5 CDBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000288646793 197136035 /nfs/dbraw/zinc/13/60/35/197136035.db2.gz UTOHPGSWNQFPMS-GXSJLCMTSA-N 1 1 284.337 1.118 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355526 195208810 /nfs/dbraw/zinc/20/88/10/195208810.db2.gz KXBGEEZHEPGWKP-LLVKDONJSA-N 1 1 268.317 1.292 20 5 CDBDMO Cc1cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000289555217 390820656 /nfs/dbraw/zinc/82/06/56/390820656.db2.gz GNQNHKAMFZWNON-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO COCC[N@H+](CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135535041 390827191 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CO[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487987899 391930101 /nfs/dbraw/zinc/93/01/01/391930101.db2.gz LZPJYACIVMFSSQ-OKILXGFUSA-N 1 1 280.324 1.483 20 5 CDBDMO CCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842877 391933005 /nfs/dbraw/zinc/93/30/05/391933005.db2.gz PWTYTXWALSRRLX-CMPLNLGQSA-N 1 1 270.333 1.273 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264888551 131518024 /nfs/dbraw/zinc/51/80/24/131518024.db2.gz JLAQVNPOWBHCHG-UHFFFAOYSA-N 1 1 281.312 1.285 20 5 CDBDMO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000442784202 392493985 /nfs/dbraw/zinc/49/39/85/392493985.db2.gz ROLDJPPJWCFCRV-VXGBXAGGSA-N 1 1 279.340 1.643 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726439 392722111 /nfs/dbraw/zinc/72/21/11/392722111.db2.gz FXFUMZGCHWSFFL-VHSXEESVSA-N 1 1 290.323 1.674 20 5 CDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488726439 392722116 /nfs/dbraw/zinc/72/21/16/392722116.db2.gz FXFUMZGCHWSFFL-VHSXEESVSA-N 1 1 290.323 1.674 20 5 CDBDMO N[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319648 392961200 /nfs/dbraw/zinc/96/12/00/392961200.db2.gz LUFYKNIKHKWHLH-AGIUHOORSA-N 1 1 293.371 1.602 20 5 CDBDMO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430200762 393091142 /nfs/dbraw/zinc/09/11/42/393091142.db2.gz XCXNMDSFTFAGFV-UHFFFAOYSA-N 1 1 254.286 1.682 20 5 CDBDMO COCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430200762 393091150 /nfs/dbraw/zinc/09/11/50/393091150.db2.gz XCXNMDSFTFAGFV-UHFFFAOYSA-N 1 1 254.286 1.682 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CCO ZINC000430223258 393095580 /nfs/dbraw/zinc/09/55/80/393095580.db2.gz URKHRCCCSVTKRH-LBPRGKRZSA-N 1 1 280.324 1.950 20 5 CDBDMO C[N@H+]1CC[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000530987600 393057866 /nfs/dbraw/zinc/05/78/66/393057866.db2.gz FZKNQLVSYLFTGQ-LLVKDONJSA-N 1 1 291.351 1.898 20 5 CDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000449698649 393138693 /nfs/dbraw/zinc/13/86/93/393138693.db2.gz NNHYWSHWBMHLQZ-HNNXBMFYSA-N 1 1 294.351 1.734 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193434985 393340542 /nfs/dbraw/zinc/34/05/42/393340542.db2.gz POIOXHKPXZQSLV-LLVKDONJSA-N 1 1 278.356 1.955 20 5 CDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762708 135111835 /nfs/dbraw/zinc/11/18/35/135111835.db2.gz FOZDXYGNQNFGHN-LLVKDONJSA-N 1 1 294.355 1.271 20 5 CDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000193569093 140147057 /nfs/dbraw/zinc/14/70/57/140147057.db2.gz GBZZOVVQWDKXAN-PELKAZGASA-N 1 1 297.742 1.862 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000104189404 147186988 /nfs/dbraw/zinc/18/69/88/147186988.db2.gz FDRZLXRPCSSGFZ-SNVBAGLBSA-N 1 1 293.323 1.285 20 5 CDBDMO COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905059 149257633 /nfs/dbraw/zinc/25/76/33/149257633.db2.gz IUVGVBYLDGONLX-NSHDSACASA-N 1 1 296.323 1.437 20 5 CDBDMO C[C@@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343422205 152167087 /nfs/dbraw/zinc/16/70/87/152167087.db2.gz CFOOSGLPSZIXPX-PSASIEDQSA-N 1 1 283.353 1.869 20 5 CDBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCC[N@H+]1C ZINC000343509300 152205885 /nfs/dbraw/zinc/20/58/85/152205885.db2.gz HZCMSRRISOFDDD-GXSJLCMTSA-N 1 1 250.302 1.884 20 5 CDBDMO CC[N@@H+](C[C@@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000352195234 155013586 /nfs/dbraw/zinc/01/35/86/155013586.db2.gz PDCFELHVACRUQZ-YPMHNXCESA-N 1 1 298.339 1.037 20 5 CDBDMO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352219655 155032202 /nfs/dbraw/zinc/03/22/02/155032202.db2.gz DYZCXRQBCHGUQB-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352219655 155032206 /nfs/dbraw/zinc/03/22/06/155032206.db2.gz DYZCXRQBCHGUQB-SECBINFHSA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912247 160326502 /nfs/dbraw/zinc/32/65/02/160326502.db2.gz NVTHVDTZMUJCMV-SMDDNHRTSA-N 1 1 289.335 1.761 20 5 CDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285367746 196262911 /nfs/dbraw/zinc/26/29/11/196262911.db2.gz BWYGAZLFMUNSTM-UHFFFAOYSA-N 1 1 266.297 1.430 20 5 CDBDMO NC(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411813 175171833 /nfs/dbraw/zinc/17/18/33/175171833.db2.gz QRSJXUXWFWLSAL-JTQLQIEISA-N 1 1 290.323 1.342 20 5 CDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000344366038 274333597 /nfs/dbraw/zinc/33/35/97/274333597.db2.gz BXAZDJOCOLCVPV-SECBINFHSA-N 1 1 253.277 1.874 20 5 CDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701900 276157770 /nfs/dbraw/zinc/15/77/70/276157770.db2.gz HRXNYYZLPKNAOG-SNVBAGLBSA-N 1 1 295.343 1.231 20 5 CDBDMO C[C@@H](CO)[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343201541 278290137 /nfs/dbraw/zinc/29/01/37/278290137.db2.gz AEROGTBCMAWNIK-NSHDSACASA-N 1 1 297.330 1.627 20 5 CDBDMO CC(C)NC(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051589936 279181113 /nfs/dbraw/zinc/18/11/13/279181113.db2.gz HZOBRIRQINEKPV-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO CC(C)NC(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051589936 279181115 /nfs/dbraw/zinc/18/11/15/279181115.db2.gz HZOBRIRQINEKPV-UHFFFAOYSA-N 1 1 295.339 1.430 20 5 CDBDMO COc1ccc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953371 280397435 /nfs/dbraw/zinc/39/74/35/280397435.db2.gz PXINUFKIZOIJMZ-GHMZBOCLSA-N 1 1 298.339 1.167 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000572036329 294545974 /nfs/dbraw/zinc/54/59/74/294545974.db2.gz SFVZLALMFGXUJB-UHFFFAOYSA-N 1 1 288.311 1.348 20 5 CDBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891750 295071722 /nfs/dbraw/zinc/07/17/22/295071722.db2.gz HQMDUPMDHQOFRN-NEPJUHHUSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000574891750 295071723 /nfs/dbraw/zinc/07/17/23/295071723.db2.gz HQMDUPMDHQOFRN-NEPJUHHUSA-N 1 1 291.351 1.861 20 5 CDBDMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351139289 316239560 /nfs/dbraw/zinc/23/95/60/316239560.db2.gz ACINQCNGPASGRM-JGVFFNPUSA-N 1 1 278.268 1.903 20 5 CDBDMO C[C@](O)(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC001119376143 1161586896 /nfs/dbraw/zinc/58/68/96/1161586896.db2.gz XQLLFNJMFQKELY-ZDUSSCGKSA-N 1 1 286.278 1.969 20 5 CDBDMO C[C@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C(F)F ZINC001119376143 1161586901 /nfs/dbraw/zinc/58/69/01/1161586901.db2.gz XQLLFNJMFQKELY-ZDUSSCGKSA-N 1 1 286.278 1.969 20 5 CDBDMO C[C@@H]([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000177223157 534285572 /nfs/dbraw/zinc/28/55/72/534285572.db2.gz HQJRFNIWKROETD-PWSUYJOCSA-N 1 1 282.344 1.273 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000227009914 523922659 /nfs/dbraw/zinc/92/26/59/523922659.db2.gz AHBRJKHLNWOIDW-VIFPVBQESA-N 1 1 269.349 1.779 20 5 CDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295332 524937933 /nfs/dbraw/zinc/93/79/33/524937933.db2.gz AIVJHYFDDISTLA-MFKMUULPSA-N 1 1 293.323 1.236 20 5 CDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCOCC2)c1 ZINC000366661070 527393839 /nfs/dbraw/zinc/39/38/39/527393839.db2.gz XTZWYYNACUXGER-CYBMUJFWSA-N 1 1 266.297 1.351 20 5 CDBDMO Nc1cc(Cn2cc(Br)c([N+](=O)[O-])n2)cc[nH+]1 ZINC000052733895 527452755 /nfs/dbraw/zinc/45/27/55/527452755.db2.gz SITSEQOPAFWFAF-UHFFFAOYSA-N 1 1 298.100 1.579 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncn1C ZINC000237198844 536956031 /nfs/dbraw/zinc/95/60/31/536956031.db2.gz IDQBZXXXPIONIW-UHFFFAOYSA-N 1 1 276.296 1.627 20 5 CDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401447 575574882 /nfs/dbraw/zinc/57/48/82/575574882.db2.gz DVZOWBBLZAWWSM-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000771401447 575574886 /nfs/dbraw/zinc/57/48/86/575574886.db2.gz DVZOWBBLZAWWSM-VHSXEESVSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351900 576677390 /nfs/dbraw/zinc/67/73/90/576677390.db2.gz YPTLGWQVSOYYQU-SNVBAGLBSA-N 1 1 280.328 1.147 20 5 CDBDMO CC[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000754078894 576878080 /nfs/dbraw/zinc/87/80/80/576878080.db2.gz BUEKINFIJDKKNF-NSHDSACASA-N 1 1 289.339 1.773 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000892301285 617722782 /nfs/dbraw/zinc/72/27/82/617722782.db2.gz XBYUTFDHGAIGLM-SECBINFHSA-N 1 1 276.300 1.435 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000893515188 618018134 /nfs/dbraw/zinc/01/81/34/618018134.db2.gz INEFQWJBGFJMAB-LLVKDONJSA-N 1 1 279.344 1.757 20 5 CDBDMO CN(c1c([N+](=O)[O-])cnn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893833961 618067494 /nfs/dbraw/zinc/06/74/94/618067494.db2.gz SFUJEDCDACBZEM-ZACCUICWSA-N 1 1 279.344 1.390 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@H]2C1 ZINC000893547890 618094959 /nfs/dbraw/zinc/09/49/59/618094959.db2.gz BTIJIHYHPHQXAB-DTORHVGOSA-N 1 1 289.295 1.129 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553341 619357130 /nfs/dbraw/zinc/35/71/30/619357130.db2.gz NFMPZCLSGSVPNH-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928553341 619357131 /nfs/dbraw/zinc/35/71/31/619357131.db2.gz NFMPZCLSGSVPNH-NSHDSACASA-N 1 1 277.324 1.646 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000141966434 619368893 /nfs/dbraw/zinc/36/88/93/619368893.db2.gz WALBWRLXBKJUHC-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000141966434 619368897 /nfs/dbraw/zinc/36/88/97/619368897.db2.gz WALBWRLXBKJUHC-AOOOYVTPSA-N 1 1 292.339 1.342 20 5 CDBDMO COc1ccccc1[C@H](CNCC[N+](=O)[O-])[NH+]1CCCC1 ZINC000899860853 622487721 /nfs/dbraw/zinc/48/77/21/622487721.db2.gz VRPVFGMJJPZUEY-AWEZNQCLSA-N 1 1 293.367 1.698 20 5 CDBDMO O=[N+]([O-])c1ccc(-c2cc(CC[NH+]3CCOCC3)on2)o1 ZINC000901398923 624220290 /nfs/dbraw/zinc/22/02/90/624220290.db2.gz NMUIILMIKCVAST-UHFFFAOYSA-N 1 1 293.279 1.718 20 5 CDBDMO O=C(Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1)C1CCC1 ZINC000905036738 626378089 /nfs/dbraw/zinc/37/80/89/626378089.db2.gz VJPFHDAXPOFKTE-UHFFFAOYSA-N 1 1 277.324 1.792 20 5 CDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000905051872 626387570 /nfs/dbraw/zinc/38/75/70/626387570.db2.gz IDMGDSNUEPTXAB-UHFFFAOYSA-N 1 1 265.313 1.769 20 5 CDBDMO C[C@@H]1[C@H](NCC[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000905259932 626709805 /nfs/dbraw/zinc/70/98/05/626709805.db2.gz IRRDQSVXBHWBSE-TZMCWYRMSA-N 1 1 263.341 1.516 20 5 CDBDMO C[C@@H]1[C@H](NCC[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000905259932 626709808 /nfs/dbraw/zinc/70/98/08/626709808.db2.gz IRRDQSVXBHWBSE-TZMCWYRMSA-N 1 1 263.341 1.516 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000919380473 632577966 /nfs/dbraw/zinc/57/79/66/632577966.db2.gz UPIUIPZFHREIMG-NSHDSACASA-N 1 1 296.327 1.209 20 5 CDBDMO [NH3+]C[C@@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001246506410 1164245270 /nfs/dbraw/zinc/24/52/70/1164245270.db2.gz HCEYNTKAZLBHMB-IACUBPJLSA-N 1 1 263.341 1.721 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402390 705332697 /nfs/dbraw/zinc/33/26/97/705332697.db2.gz QMFDNVSIYDQKTN-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO CCC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794622986 705391383 /nfs/dbraw/zinc/39/13/83/705391383.db2.gz IVRPITUVBROPEV-UHFFFAOYSA-N 1 1 265.269 1.802 20 5 CDBDMO CCC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794622986 705391388 /nfs/dbraw/zinc/39/13/88/705391388.db2.gz IVRPITUVBROPEV-UHFFFAOYSA-N 1 1 265.269 1.802 20 5 CDBDMO COc1cc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000884824740 705422386 /nfs/dbraw/zinc/42/23/86/705422386.db2.gz LHTGHHYMBOWDIB-UHFFFAOYSA-N 1 1 287.291 1.079 20 5 CDBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000886846548 705480969 /nfs/dbraw/zinc/48/09/69/705480969.db2.gz DKDBVBRVESUJPK-LLVKDONJSA-N 1 1 265.313 1.484 20 5 CDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000840093899 705574120 /nfs/dbraw/zinc/57/41/20/705574120.db2.gz OWEBMGDENOIAPI-LBPRGKRZSA-N 1 1 281.360 1.392 20 5 CDBDMO CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000831838480 705574162 /nfs/dbraw/zinc/57/41/62/705574162.db2.gz LDLCQRWEPAKESA-LLVKDONJSA-N 1 1 271.361 1.375 20 5 CDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328483 705726531 /nfs/dbraw/zinc/72/65/31/705726531.db2.gz KGWWWLJPUIXOLU-OKILXGFUSA-N 1 1 289.335 1.505 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853576254 706211375 /nfs/dbraw/zinc/21/13/75/706211375.db2.gz OJAPRXREZRCYEQ-QWRGUYRKSA-N 1 1 287.323 1.947 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844448216 709787239 /nfs/dbraw/zinc/78/72/39/709787239.db2.gz WEGZEXZHBOWRPV-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO CC[C@@]1(O)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778397732 709955658 /nfs/dbraw/zinc/95/56/58/709955658.db2.gz DDOGDADOQBFEHF-UONOGXRCSA-N 1 1 280.324 1.475 20 5 CDBDMO CC[N@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000931740728 710197629 /nfs/dbraw/zinc/19/76/29/710197629.db2.gz FIRMCDHXFSXXIQ-NSHDSACASA-N 1 1 287.360 1.594 20 5 CDBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000931740728 710197634 /nfs/dbraw/zinc/19/76/34/710197634.db2.gz FIRMCDHXFSXXIQ-NSHDSACASA-N 1 1 287.360 1.594 20 5 CDBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[N+](=O)[O-] ZINC000847257751 710299186 /nfs/dbraw/zinc/29/91/86/710299186.db2.gz ZBICPNLGXSOHMV-OLZOCXBDSA-N 1 1 297.399 1.955 20 5 CDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176103552 710307161 /nfs/dbraw/zinc/30/71/61/710307161.db2.gz YKTHJKIYHQQVJN-LLVKDONJSA-N 1 1 290.323 1.870 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840151509 710544758 /nfs/dbraw/zinc/54/47/58/710544758.db2.gz GTNGVTCQTBJVEA-LLVKDONJSA-N 1 1 267.333 1.163 20 5 CDBDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CC[N+](=O)[O-])[C@@H]1C ZINC000934166731 710770734 /nfs/dbraw/zinc/77/07/34/710770734.db2.gz XKSRKBHFJOOLOE-WRWGMCAJSA-N 1 1 272.345 1.561 20 5 CDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590456 710794370 /nfs/dbraw/zinc/79/43/70/710794370.db2.gz GMPYEERBSMKGLP-NILFDRSVSA-N 1 1 294.351 1.864 20 5 CDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673165 710833847 /nfs/dbraw/zinc/83/38/47/710833847.db2.gz YJDQPKYDVWQABE-NSHDSACASA-N 1 1 292.339 1.343 20 5 CDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278163 710834932 /nfs/dbraw/zinc/83/49/32/710834932.db2.gz TVDWPPAZNQMKDG-TYNCELHUSA-N 1 1 294.351 1.579 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879972224 710851086 /nfs/dbraw/zinc/85/10/86/710851086.db2.gz LMKKAJCESQYJBR-UHFFFAOYSA-N 1 1 298.314 1.301 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851969022 711394507 /nfs/dbraw/zinc/39/45/07/711394507.db2.gz XGNFKDZPJJMNGD-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000851969022 711394513 /nfs/dbraw/zinc/39/45/13/711394513.db2.gz XGNFKDZPJJMNGD-GXFFZTMASA-N 1 1 266.272 1.548 20 5 CDBDMO CC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843191368 711480390 /nfs/dbraw/zinc/48/03/90/711480390.db2.gz FXEYCJHDBHYASO-VIFPVBQESA-N 1 1 292.295 1.987 20 5 CDBDMO O=C(OCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000861384361 711569958 /nfs/dbraw/zinc/56/99/58/711569958.db2.gz OQGQIADGRJUGKG-UHFFFAOYSA-N 1 1 250.254 1.457 20 5 CDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000778273301 711582811 /nfs/dbraw/zinc/58/28/11/711582811.db2.gz YMFYHYUZWIBWQR-GXTWGEPZSA-N 1 1 280.324 1.475 20 5 CDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839551360 711730550 /nfs/dbraw/zinc/73/05/50/711730550.db2.gz BHFOMSIUZUONRJ-CHWSQXEVSA-N 1 1 283.372 1.375 20 5 CDBDMO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839551360 711730552 /nfs/dbraw/zinc/73/05/52/711730552.db2.gz BHFOMSIUZUONRJ-CHWSQXEVSA-N 1 1 283.372 1.375 20 5 CDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839551360 711730553 /nfs/dbraw/zinc/73/05/53/711730553.db2.gz BHFOMSIUZUONRJ-CHWSQXEVSA-N 1 1 283.372 1.375 20 5 CDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313122 711817077 /nfs/dbraw/zinc/81/70/77/711817077.db2.gz FYOZWAFCCGQQBD-LSDHHAIUSA-N 1 1 294.351 1.865 20 5 CDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466702 719184195 /nfs/dbraw/zinc/18/41/95/719184195.db2.gz JPNMURATBBXKGG-RKDXNWHRSA-N 1 1 268.292 1.658 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408466702 719184201 /nfs/dbraw/zinc/18/42/01/719184201.db2.gz JPNMURATBBXKGG-RKDXNWHRSA-N 1 1 268.292 1.658 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164638652 719198413 /nfs/dbraw/zinc/19/84/13/719198413.db2.gz RBPUQQOWCPBQLD-DTWKUNHWSA-N 1 1 295.343 1.231 20 5 CDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164638652 719198420 /nfs/dbraw/zinc/19/84/20/719198420.db2.gz RBPUQQOWCPBQLD-DTWKUNHWSA-N 1 1 295.343 1.231 20 5 CDBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)n3)C[C@H]21 ZINC001164669458 719371055 /nfs/dbraw/zinc/37/10/55/719371055.db2.gz QCJWQTNJIMEYQX-ZJUUUORDSA-N 1 1 298.730 1.162 20 5 CDBDMO C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930635843 1166765406 /nfs/dbraw/zinc/76/54/06/1166765406.db2.gz AKILRWAUEKROHG-NJZAAPMLSA-N 1 1 294.351 1.516 20 5 CDBDMO COc1ncc([N+](=O)[O-])cc1NCc1ccc(N)[nH+]c1C ZINC001167785895 900688261 /nfs/dbraw/zinc/68/82/61/900688261.db2.gz DVOLULREXAHJNU-UHFFFAOYSA-N 1 1 289.295 1.896 20 5 CDBDMO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001126948807 910046921 /nfs/dbraw/zinc/04/69/21/910046921.db2.gz IRHFYWMSWNKKMX-VXGBXAGGSA-N 1 1 297.380 1.236 20 5 CDBDMO COC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011942 927617971 /nfs/dbraw/zinc/61/79/71/927617971.db2.gz NUTKESCHIWKQJE-XQQFMLRXSA-N 1 1 256.346 1.933 20 5 CDBDMO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@](C)(CO)C1 ZINC001169014012 927618978 /nfs/dbraw/zinc/61/89/78/927618978.db2.gz XTAGSYIFPIRGCC-SCRDCRAPSA-N 1 1 270.373 1.915 20 5 CDBDMO Cc1ncc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001169036534 927643599 /nfs/dbraw/zinc/64/35/99/927643599.db2.gz GJRWISAVBQKPCP-YPMHNXCESA-N 1 1 264.329 1.662 20 5 CDBDMO COC(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038652 927649468 /nfs/dbraw/zinc/64/94/68/927649468.db2.gz JVIIVSBMIQUAJI-YNEHKIRRSA-N 1 1 284.356 1.707 20 5 CDBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169038322 927650880 /nfs/dbraw/zinc/65/08/80/927650880.db2.gz YCONIEFFOWVLLJ-UPJWGTAASA-N 1 1 284.356 1.707 20 5 CDBDMO C[N@H+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2(CCCC2)C1 ZINC001169051308 927668991 /nfs/dbraw/zinc/66/89/91/927668991.db2.gz CYECTABGMAQDKJ-KGLIPLIRSA-N 1 1 281.400 1.992 20 5 CDBDMO C[N@@H+]1CC=C(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882162680 929956031 /nfs/dbraw/zinc/95/60/31/929956031.db2.gz ZYQRAKWVYDPYLT-UHFFFAOYSA-N 1 1 266.276 1.803 20 5 CDBDMO Cc1ccc(N2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000687590051 934325264 /nfs/dbraw/zinc/32/52/64/934325264.db2.gz CRKKUBPVAGGOIV-NSHDSACASA-N 1 1 265.313 1.016 20 5 CDBDMO Cc1ccc(N2CC[N@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000687590051 934325270 /nfs/dbraw/zinc/32/52/70/934325270.db2.gz CRKKUBPVAGGOIV-NSHDSACASA-N 1 1 265.313 1.016 20 5 CDBDMO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001120687405 937825935 /nfs/dbraw/zinc/82/59/35/937825935.db2.gz OMUOUZAWSSUNKP-ZDUSSCGKSA-N 1 1 291.307 1.124 20 5 CDBDMO [NH3+]CCONc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001156294081 938348872 /nfs/dbraw/zinc/34/88/72/938348872.db2.gz WXSPLIPRBOQANE-UHFFFAOYSA-N 1 1 274.280 1.959 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001156649548 938401015 /nfs/dbraw/zinc/40/10/15/938401015.db2.gz YFAOPTBVMBBFAK-LURJTMIESA-N 1 1 257.681 1.102 20 5 CDBDMO Cc1cc(-n2cnc(C[NH3+])n2)nc2ccc([N+](=O)[O-])cc12 ZINC001157928663 938564456 /nfs/dbraw/zinc/56/44/56/938564456.db2.gz OTRNCQFHXUBNFQ-UHFFFAOYSA-N 1 1 284.279 1.491 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NCCCN1CC[NH+](C)CC1 ZINC001161708945 938924096 /nfs/dbraw/zinc/92/40/96/938924096.db2.gz ZAWZBSKYLOOZHI-UHFFFAOYSA-N 1 1 292.383 1.953 20 5 CDBDMO C[N@@H+]1CCO[C@H](CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001162680054 939114220 /nfs/dbraw/zinc/11/42/20/939114220.db2.gz DGCRDARCIBCSDP-SECBINFHSA-N 1 1 291.311 1.214 20 5 CDBDMO C[N@H+]1CCO[C@H](CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001162680054 939114222 /nfs/dbraw/zinc/11/42/22/939114222.db2.gz DGCRDARCIBCSDP-SECBINFHSA-N 1 1 291.311 1.214 20 5 CDBDMO CC(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230943 939839649 /nfs/dbraw/zinc/83/96/49/939839649.db2.gz ZFOKOLBBDMNPBV-CHWSQXEVSA-N 1 1 283.372 1.136 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](OCc3ccccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001222760255 941632565 /nfs/dbraw/zinc/63/25/65/941632565.db2.gz MCAIUEOPRMAPKC-NILFDRSVSA-N 1 1 290.319 1.916 20 5 CDBDMO COc1ccc(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001225767772 941911470 /nfs/dbraw/zinc/91/14/70/941911470.db2.gz UIGJDLFVSWGWDZ-SNVBAGLBSA-N 1 1 252.270 1.686 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226169135 941962358 /nfs/dbraw/zinc/96/23/58/941962358.db2.gz ZCQCQRYALWSYCE-NSHDSACASA-N 1 1 293.323 1.555 20 5 CDBDMO CC[N@H+]1CCC[C@H](Oc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688087 942358808 /nfs/dbraw/zinc/35/88/08/942358808.db2.gz DNDGYINVAQFDHU-JTQLQIEISA-N 1 1 281.312 1.867 20 5 CDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cnccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228879672 942387917 /nfs/dbraw/zinc/38/79/17/942387917.db2.gz JQKWDEZKXWPNEQ-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cnccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228879672 942387922 /nfs/dbraw/zinc/38/79/22/942387922.db2.gz JQKWDEZKXWPNEQ-XXILOJSOSA-N 1 1 277.280 1.173 20 5 CDBDMO Cc1cc2[nH]ncc2cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230222608 942591554 /nfs/dbraw/zinc/59/15/54/942591554.db2.gz HPXGVRLMLILOOP-GFCCVEGCSA-N 1 1 292.359 1.234 20 5 CDBDMO C[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233573702 943619924 /nfs/dbraw/zinc/61/99/24/943619924.db2.gz UQTXFKDZHWLNLO-QMMMGPOBSA-N 1 1 267.241 1.586 20 5 CDBDMO CC[N@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233576235 943620392 /nfs/dbraw/zinc/62/03/92/943620392.db2.gz WFDJFMIBGLOAPD-VIFPVBQESA-N 1 1 281.268 1.976 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001254551734 947521903 /nfs/dbraw/zinc/52/19/03/947521903.db2.gz DZRWVSFZKDYIJP-ZKYQVNSYSA-N 1 1 282.315 1.931 20 5 CDBDMO CC(=O)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608629 947556813 /nfs/dbraw/zinc/55/68/13/947556813.db2.gz RLVLPJMEPYECBU-IUODEOHRSA-N 1 1 274.320 1.973 20 5 CDBDMO Cc1nn(CN2CCC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001322188572 960123535 /nfs/dbraw/zinc/12/35/35/960123535.db2.gz YGSVAYVXEIZKJY-ZDUSSCGKSA-N 1 1 293.371 1.536 20 5 CDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337734081 961392968 /nfs/dbraw/zinc/39/29/68/961392968.db2.gz NROWHMQCNDZBCB-SNVBAGLBSA-N 1 1 279.344 1.716 20 5 CDBDMO C[NH+](C)[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001338406613 961783124 /nfs/dbraw/zinc/78/31/24/961783124.db2.gz BJNZXSVCCQXXER-HUUCEWRRSA-N 1 1 293.367 1.558 20 5 CDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830780 976360743 /nfs/dbraw/zinc/36/07/43/976360743.db2.gz SSLBLMJYNBYLNC-ZDUSSCGKSA-N 1 1 291.351 1.738 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]([NH3+])C(C)(C)C ZINC001574033796 1170867368 /nfs/dbraw/zinc/86/73/68/1170867368.db2.gz CQHRGARXHZIOFA-LLVKDONJSA-N 1 1 282.296 1.882 20 5 CDBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351235 187133580 /nfs/dbraw/zinc/13/35/80/187133580.db2.gz PXHPFMCNGDXZQY-ZDUSSCGKSA-N 1 1 250.298 1.942 20 5 CDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129281 342473887 /nfs/dbraw/zinc/47/38/87/342473887.db2.gz PKDLINWPBGPCPD-JTQLQIEISA-N 1 1 295.314 1.806 20 5 CDBDMO C[N@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000601186106 342489441 /nfs/dbraw/zinc/48/94/41/342489441.db2.gz GNFRXBNWWFRSAA-UHFFFAOYSA-N 1 1 266.301 1.226 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590052994 342521349 /nfs/dbraw/zinc/52/13/49/342521349.db2.gz IGXWYRYBLVSOOQ-AXYOCBNKSA-N 1 1 274.320 1.778 20 5 CDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601399653 342559915 /nfs/dbraw/zinc/55/99/15/342559915.db2.gz RLWLVCOBAHRTAX-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601399653 342559916 /nfs/dbraw/zinc/55/99/16/342559916.db2.gz RLWLVCOBAHRTAX-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO C[C@@H](N)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000591580685 342637966 /nfs/dbraw/zinc/63/79/66/342637966.db2.gz JVVRLMZWWLWXHB-GHMZBOCLSA-N 1 1 251.330 1.853 20 5 CDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000573573341 361904226 /nfs/dbraw/zinc/90/42/26/361904226.db2.gz YXKVHYDXTRQQCS-UHFFFAOYSA-N 1 1 268.292 1.661 20 5 CDBDMO C[C@H](O)C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594067199 342870131 /nfs/dbraw/zinc/87/01/31/342870131.db2.gz ZPLXXMBNCFRADC-VIFPVBQESA-N 1 1 266.297 1.646 20 5 CDBDMO C[C@H](O)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594067199 342870132 /nfs/dbraw/zinc/87/01/32/342870132.db2.gz ZPLXXMBNCFRADC-VIFPVBQESA-N 1 1 266.297 1.646 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594054413 342872755 /nfs/dbraw/zinc/87/27/55/342872755.db2.gz GGBRQZABJLXFGB-JTQLQIEISA-N 1 1 280.324 1.949 20 5 CDBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000280122784 342289304 /nfs/dbraw/zinc/28/93/04/342289304.db2.gz BTZNEILJOUKCMN-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000280122784 342289305 /nfs/dbraw/zinc/28/93/05/342289305.db2.gz BTZNEILJOUKCMN-BXKDBHETSA-N 1 1 296.298 1.975 20 5 CDBDMO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003772 342995343 /nfs/dbraw/zinc/99/53/43/342995343.db2.gz JZIFBBPWAHEKOR-VHSXEESVSA-N 1 1 295.339 1.779 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000595043831 342998508 /nfs/dbraw/zinc/99/85/08/342998508.db2.gz AOIKSKNUDCRTLN-LJWDBELGSA-N 1 1 296.323 1.668 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CNC(=O)C1 ZINC000595483365 343065553 /nfs/dbraw/zinc/06/55/53/343065553.db2.gz GLHIOXQKBUNERT-LLVKDONJSA-N 1 1 277.324 1.205 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595505045 343079124 /nfs/dbraw/zinc/07/91/24/343079124.db2.gz LIVXYKGVDDKEGN-VIFPVBQESA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595505045 343079127 /nfs/dbraw/zinc/07/91/27/343079127.db2.gz LIVXYKGVDDKEGN-VIFPVBQESA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(CN(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000595546466 343084295 /nfs/dbraw/zinc/08/42/95/343084295.db2.gz OFNIPVMBBSPZJH-SNVBAGLBSA-N 1 1 268.317 1.417 20 5 CDBDMO COCC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000595498951 343077817 /nfs/dbraw/zinc/07/78/17/343077817.db2.gz ICTRSCMBHGYWAM-UHFFFAOYSA-N 1 1 285.300 1.176 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922922 362039219 /nfs/dbraw/zinc/03/92/19/362039219.db2.gz YWXKQQNFWZJESF-UHFFFAOYSA-N 1 1 290.323 1.758 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595543525 343094051 /nfs/dbraw/zinc/09/40/51/343094051.db2.gz MWVYEFYRMIECRB-ZDUSSCGKSA-N 1 1 297.311 1.666 20 5 CDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595543525 343094052 /nfs/dbraw/zinc/09/40/52/343094052.db2.gz MWVYEFYRMIECRB-ZDUSSCGKSA-N 1 1 297.311 1.666 20 5 CDBDMO CN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265291812 362099369 /nfs/dbraw/zinc/09/93/69/362099369.db2.gz BIOODNVXEJDWAA-GFCCVEGCSA-N 1 1 263.297 1.257 20 5 CDBDMO CN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265291812 362099375 /nfs/dbraw/zinc/09/93/75/362099375.db2.gz BIOODNVXEJDWAA-GFCCVEGCSA-N 1 1 263.297 1.257 20 5 CDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595674540 343128820 /nfs/dbraw/zinc/12/88/20/343128820.db2.gz LERDUMWFLUYKEZ-DGCLKSJQSA-N 1 1 282.344 1.274 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595746023 343150841 /nfs/dbraw/zinc/15/08/41/343150841.db2.gz ZNYNUANGDDXUEG-CQSZACIVSA-N 1 1 296.323 1.321 20 5 CDBDMO COc1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1[N+](=O)[O-] ZINC000595781320 343154210 /nfs/dbraw/zinc/15/42/10/343154210.db2.gz FRYHLXWZACAALB-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO COc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)cc1[N+](=O)[O-] ZINC000595781320 343154212 /nfs/dbraw/zinc/15/42/12/343154212.db2.gz FRYHLXWZACAALB-UHFFFAOYSA-N 1 1 293.323 1.268 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596194492 343253864 /nfs/dbraw/zinc/25/38/64/343253864.db2.gz MCJHWNPZLHCVKA-UHFFFAOYSA-N 1 1 266.301 1.226 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000596246257 343286128 /nfs/dbraw/zinc/28/61/28/343286128.db2.gz DFRLAOKNHFTSGM-ZDUSSCGKSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596176938 343261196 /nfs/dbraw/zinc/26/11/96/343261196.db2.gz ACJOYNVYRXTHFR-VHSXEESVSA-N 1 1 292.339 1.223 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC000088718592 342387040 /nfs/dbraw/zinc/38/70/40/342387040.db2.gz VOFOJRFGNFXJOQ-CYBMUJFWSA-N 1 1 292.383 1.951 20 5 CDBDMO O=[N+]([O-])c1ncccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599106150 343955062 /nfs/dbraw/zinc/95/50/62/343955062.db2.gz SRWYXWDFRNFKCW-UHFFFAOYSA-N 1 1 292.339 1.291 20 5 CDBDMO C[C@H](C[S@@](C)=O)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602607908 344491722 /nfs/dbraw/zinc/49/17/22/344491722.db2.gz KVVCAPRTPLWBMA-ZPWHCFADSA-N 1 1 297.336 1.593 20 5 CDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC(F)F)CC2)cn1 ZINC000602653651 344517349 /nfs/dbraw/zinc/51/73/49/344517349.db2.gz IOPXHPBICBZLFU-UHFFFAOYSA-N 1 1 286.282 1.813 20 5 CDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602766295 344573071 /nfs/dbraw/zinc/57/30/71/344573071.db2.gz OGUNJQDNJCYSIZ-GFCCVEGCSA-N 1 1 282.344 1.601 20 5 CDBDMO CC(C)[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+]1C ZINC000602629399 344521776 /nfs/dbraw/zinc/52/17/76/344521776.db2.gz GFERUXUBZDJTDK-GFCCVEGCSA-N 1 1 281.360 1.100 20 5 CDBDMO CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802055 344591440 /nfs/dbraw/zinc/59/14/40/344591440.db2.gz SKSHIFHFMRVKLV-NSHDSACASA-N 1 1 281.360 1.126 20 5 CDBDMO COC[C@]1(C)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835263 344618462 /nfs/dbraw/zinc/61/84/62/344618462.db2.gz IMXFTTNUROLRPK-CYBMUJFWSA-N 1 1 282.344 1.458 20 5 CDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000049460912 344712863 /nfs/dbraw/zinc/71/28/63/344712863.db2.gz DYKYRGPWMABVRC-UHFFFAOYSA-N 1 1 288.307 1.459 20 5 CDBDMO C[NH+]1CCN(CCCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000344138503 362544388 /nfs/dbraw/zinc/54/43/88/362544388.db2.gz NPASNMIHVILNIP-UHFFFAOYSA-N 1 1 293.371 1.306 20 5 CDBDMO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000344150194 362545893 /nfs/dbraw/zinc/54/58/93/362545893.db2.gz UJJJBPDYCKSMRI-LBPRGKRZSA-N 1 1 297.742 1.959 20 5 CDBDMO CCNC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000051471680 345160634 /nfs/dbraw/zinc/16/06/34/345160634.db2.gz YOWQDJFFONFIIN-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO CCNC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000051471680 345160636 /nfs/dbraw/zinc/16/06/36/345160636.db2.gz YOWQDJFFONFIIN-UHFFFAOYSA-N 1 1 279.340 1.861 20 5 CDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000265882761 362628290 /nfs/dbraw/zinc/62/82/90/362628290.db2.gz PVUCREDSUHCIIC-GFCCVEGCSA-N 1 1 280.324 1.678 20 5 CDBDMO CCNC(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000049238352 345978638 /nfs/dbraw/zinc/97/86/38/345978638.db2.gz LDJYXISWXALDPB-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CCNC(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000049238352 345978642 /nfs/dbraw/zinc/97/86/42/345978642.db2.gz LDJYXISWXALDPB-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO CC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000611084426 346603511 /nfs/dbraw/zinc/60/35/11/346603511.db2.gz ZRHUWJLYHXWKGI-SNVBAGLBSA-N 1 1 250.302 1.520 20 5 CDBDMO C[N@H+](Cc1ccsc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344197 347614965 /nfs/dbraw/zinc/61/49/65/347614965.db2.gz QARQCLVYWJTCKX-LBPRGKRZSA-N 1 1 296.352 1.346 20 5 CDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106879706 186146259 /nfs/dbraw/zinc/14/62/59/186146259.db2.gz RBYPMHCWPMWJQT-GFCCVEGCSA-N 1 1 266.297 1.694 20 5 CDBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122637239 187043187 /nfs/dbraw/zinc/04/31/87/187043187.db2.gz QKUFJNDDBFKQDQ-CYBMUJFWSA-N 1 1 291.351 1.956 20 5 CDBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122637239 187043188 /nfs/dbraw/zinc/04/31/88/187043188.db2.gz QKUFJNDDBFKQDQ-CYBMUJFWSA-N 1 1 291.351 1.956 20 5 CDBDMO Cc1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000291906848 198101731 /nfs/dbraw/zinc/10/17/31/198101731.db2.gz NIFPHKWUJJOYTO-MRVPVSSYSA-N 1 1 283.332 1.085 20 5 CDBDMO COc1cc(C[N@H+](C)CCO)c([N+](=O)[O-])cc1OC ZINC000157737140 188335996 /nfs/dbraw/zinc/33/59/96/188335996.db2.gz IJQZQINPKBDLQX-UHFFFAOYSA-N 1 1 270.285 1.036 20 5 CDBDMO COc1cc(C[N@@H+](C)CCO)c([N+](=O)[O-])cc1OC ZINC000157737140 188335997 /nfs/dbraw/zinc/33/59/97/188335997.db2.gz IJQZQINPKBDLQX-UHFFFAOYSA-N 1 1 270.285 1.036 20 5 CDBDMO CN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413034734 363220826 /nfs/dbraw/zinc/22/08/26/363220826.db2.gz OAWDITOSXZMHME-UHFFFAOYSA-N 1 1 297.334 1.178 20 5 CDBDMO C[C@H]1CCSCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286332166 356254899 /nfs/dbraw/zinc/25/48/99/356254899.db2.gz XBLDZSQCWXHUPN-NSHDSACASA-N 1 1 297.380 1.584 20 5 CDBDMO O=C1NCC[C@@]12CCC[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000578450825 356655578 /nfs/dbraw/zinc/65/55/78/356655578.db2.gz MLMLLLCUIRXLPE-AWEZNQCLSA-N 1 1 275.308 1.449 20 5 CDBDMO O=C1NCC[C@@]12CCC[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000578450825 356655583 /nfs/dbraw/zinc/65/55/83/356655583.db2.gz MLMLLLCUIRXLPE-AWEZNQCLSA-N 1 1 275.308 1.449 20 5 CDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(N)=O ZINC000286517651 356807271 /nfs/dbraw/zinc/80/72/71/356807271.db2.gz QNRICJLJFZNYPO-UHFFFAOYSA-N 1 1 295.339 1.689 20 5 CDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046861552 357149101 /nfs/dbraw/zinc/14/91/01/357149101.db2.gz QNPGAMOBCBVSGG-JTQLQIEISA-N 1 1 281.312 1.650 20 5 CDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292084 357338670 /nfs/dbraw/zinc/33/86/70/357338670.db2.gz KVGBMIWDGDXAFX-BDAKNGLRSA-N 1 1 295.343 1.093 20 5 CDBDMO Cc1ccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000261954301 357345857 /nfs/dbraw/zinc/34/58/57/357345857.db2.gz ORZRMTAPDUOXLR-SKDRFNHKSA-N 1 1 279.296 1.219 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1CNCc1c[nH+]c(C)n1C ZINC000566497578 357966534 /nfs/dbraw/zinc/96/65/34/357966534.db2.gz ZFWYJOGHNXJSRC-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C)n1C ZINC000566497578 357966537 /nfs/dbraw/zinc/96/65/37/357966537.db2.gz ZFWYJOGHNXJSRC-UHFFFAOYSA-N 1 1 290.323 1.935 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662664 358409847 /nfs/dbraw/zinc/40/98/47/358409847.db2.gz RBDZWIOATITVRA-CMPLNLGQSA-N 1 1 250.298 1.655 20 5 CDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000194879393 358397728 /nfs/dbraw/zinc/39/77/28/358397728.db2.gz YUXLIOKIIPNFNT-KOLCDFICSA-N 1 1 295.295 1.563 20 5 CDBDMO CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000408316385 359029965 /nfs/dbraw/zinc/02/99/65/359029965.db2.gz BIIBSMWIPGKDCL-UHFFFAOYSA-N 1 1 279.296 1.124 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](F)C1 ZINC000451199384 359040056 /nfs/dbraw/zinc/04/00/56/359040056.db2.gz RCZUHSFIIQIPOG-MNOVXSKESA-N 1 1 284.287 1.378 20 5 CDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](F)C1 ZINC000451199384 359040060 /nfs/dbraw/zinc/04/00/60/359040060.db2.gz RCZUHSFIIQIPOG-MNOVXSKESA-N 1 1 284.287 1.378 20 5 CDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000105791319 358986846 /nfs/dbraw/zinc/98/68/46/358986846.db2.gz ROENUAMRUFPBFJ-GFCCVEGCSA-N 1 1 294.355 1.537 20 5 CDBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450830541 359013170 /nfs/dbraw/zinc/01/31/70/359013170.db2.gz OGMQRXVTOKTZHM-NSHDSACASA-N 1 1 279.344 1.614 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000571702753 359603691 /nfs/dbraw/zinc/60/36/91/359603691.db2.gz JUFKZNLQFDSHKS-HTQZYQBOSA-N 1 1 256.331 1.580 20 5 CDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000571702753 359603695 /nfs/dbraw/zinc/60/36/95/359603695.db2.gz JUFKZNLQFDSHKS-HTQZYQBOSA-N 1 1 256.331 1.580 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000408244700 360040621 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CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075747700 176773777 /nfs/dbraw/zinc/77/37/77/176773777.db2.gz FKNWMUAMVGUMCR-JSGCOSHPSA-N 1 1 296.371 1.664 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000105790516 274271283 /nfs/dbraw/zinc/27/12/83/274271283.db2.gz WQVXUKHIDFMIPT-GHMZBOCLSA-N 1 1 297.330 1.625 20 5 CDBDMO C[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069699344 274271417 /nfs/dbraw/zinc/27/14/17/274271417.db2.gz KKFNFPQGYYLKSH-LLVKDONJSA-N 1 1 265.313 1.098 20 5 CDBDMO C[N@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000192524858 277147736 /nfs/dbraw/zinc/14/77/36/277147736.db2.gz RKPYPBKRCVOAKY-RKDXNWHRSA-N 1 1 268.342 1.582 20 5 CDBDMO COc1cccc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000274981209 278016137 /nfs/dbraw/zinc/01/61/37/278016137.db2.gz BQDYHYZHFPPLLV-NSHDSACASA-N 1 1 295.339 1.106 20 5 CDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000295339736 279166967 /nfs/dbraw/zinc/16/69/67/279166967.db2.gz YCHSZDWJHLCOGG-CYBMUJFWSA-N 1 1 299.277 1.508 20 5 CDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248940414 280396055 /nfs/dbraw/zinc/39/60/55/280396055.db2.gz NYGPFWHICODVBC-GHMZBOCLSA-N 1 1 268.313 1.158 20 5 CDBDMO CC(C)Oc1nc(NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000564471275 293363325 /nfs/dbraw/zinc/36/33/25/293363325.db2.gz VUMYEVNECPRSJH-LLVKDONJSA-N 1 1 294.355 1.705 20 5 CDBDMO [NH3+]Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000571917321 316940990 /nfs/dbraw/zinc/94/09/90/316940990.db2.gz DBNJNYJZYADBHC-UHFFFAOYSA-N 1 1 275.268 1.678 20 5 CDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000185122216 323383200 /nfs/dbraw/zinc/38/32/00/323383200.db2.gz KSGJAMAUXNEQMV-NSPYISDASA-N 1 1 284.381 1.836 20 5 CDBDMO C[N@H+]1CC[C@@](O)(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494191 324206994 /nfs/dbraw/zinc/20/69/94/324206994.db2.gz GPACXNCDOVQPQY-DZGCQCFKSA-N 1 1 291.351 1.238 20 5 CDBDMO CN1CC[C@@](O)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000579494191 324206996 /nfs/dbraw/zinc/20/69/96/324206996.db2.gz GPACXNCDOVQPQY-DZGCQCFKSA-N 1 1 291.351 1.238 20 5 CDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383924 524140848 /nfs/dbraw/zinc/14/08/48/524140848.db2.gz LOHWALSBRKXTRD-CQDKDKBSSA-N 1 1 294.351 1.864 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200181 525849722 /nfs/dbraw/zinc/84/97/22/525849722.db2.gz YNJWWWSKTKTBQX-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000183200181 525849730 /nfs/dbraw/zinc/84/97/30/525849730.db2.gz YNJWWWSKTKTBQX-WPRPVWTQSA-N 1 1 256.327 1.859 20 5 CDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)c1 ZINC000337297671 526079161 /nfs/dbraw/zinc/07/91/61/526079161.db2.gz STZLUGVHXGSGRV-UHFFFAOYSA-N 1 1 295.364 1.752 20 5 CDBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CCO)CC1 ZINC000050445144 527332959 /nfs/dbraw/zinc/33/29/59/527332959.db2.gz JBFLZWVUICAARG-UHFFFAOYSA-N 1 1 299.758 1.358 20 5 CDBDMO Cc1[nH+]ccn1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000771864894 575630034 /nfs/dbraw/zinc/63/00/34/575630034.db2.gz MLSUPOAFYMSZCM-UHFFFAOYSA-N 1 1 275.264 1.957 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000768771392 576307055 /nfs/dbraw/zinc/30/70/55/576307055.db2.gz WONXSCWZDDXLNN-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000768771392 576307056 /nfs/dbraw/zinc/30/70/56/576307056.db2.gz WONXSCWZDDXLNN-GXFFZTMASA-N 1 1 280.324 1.806 20 5 CDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000742196673 576585833 /nfs/dbraw/zinc/58/58/33/576585833.db2.gz MHBLNQNDLZMIBS-SNVBAGLBSA-N 1 1 277.324 1.679 20 5 CDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000742196673 576585834 /nfs/dbraw/zinc/58/58/34/576585834.db2.gz MHBLNQNDLZMIBS-SNVBAGLBSA-N 1 1 277.324 1.679 20 5 CDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742234630 576590551 /nfs/dbraw/zinc/59/05/51/576590551.db2.gz GAYHDNYXGIOBER-VVEJJEBESA-N 1 1 289.335 1.771 20 5 CDBDMO CC[N@H+](C[C@@H](C)OC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000812301452 617268381 /nfs/dbraw/zinc/26/83/81/617268381.db2.gz HLOXPMKPJWPOQY-SECBINFHSA-N 1 1 270.333 1.722 20 5 CDBDMO CC[N@@H+](C[C@@H](C)OC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000812301452 617268387 /nfs/dbraw/zinc/26/83/87/617268387.db2.gz HLOXPMKPJWPOQY-SECBINFHSA-N 1 1 270.333 1.722 20 5 CDBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC[N+](=O)[O-])C1 ZINC000930750837 617531022 /nfs/dbraw/zinc/53/10/22/617531022.db2.gz MQNXPBFKLQLZRB-GHMZBOCLSA-N 1 1 272.345 1.563 20 5 CDBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930750837 617531024 /nfs/dbraw/zinc/53/10/24/617531024.db2.gz MQNXPBFKLQLZRB-GHMZBOCLSA-N 1 1 272.345 1.563 20 5 CDBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894663059 619007329 /nfs/dbraw/zinc/00/73/29/619007329.db2.gz GDDRRZXELUEEBO-SNVBAGLBSA-N 1 1 284.312 1.512 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000895245344 619486879 /nfs/dbraw/zinc/48/68/79/619486879.db2.gz FTPRLVFXACJEAC-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000895245344 619486885 /nfs/dbraw/zinc/48/68/85/619486885.db2.gz FTPRLVFXACJEAC-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000895245344 619486892 /nfs/dbraw/zinc/48/68/92/619486892.db2.gz FTPRLVFXACJEAC-IUODEOHRSA-N 1 1 292.383 1.949 20 5 CDBDMO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246762 619491637 /nfs/dbraw/zinc/49/16/37/619491637.db2.gz BZDWFNAXYQHHOD-QMTHXVAHSA-N 1 1 296.346 1.780 20 5 CDBDMO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000895801922 619851773 /nfs/dbraw/zinc/85/17/73/619851773.db2.gz VURTWDMHQZEMNO-LLVKDONJSA-N 1 1 280.328 1.513 20 5 CDBDMO O=[N+]([O-])CC[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000899890701 622503866 /nfs/dbraw/zinc/50/38/66/622503866.db2.gz GZMQFSOAJUMJLO-SECBINFHSA-N 1 1 270.251 1.743 20 5 CDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899911675 622534115 /nfs/dbraw/zinc/53/41/15/622534115.db2.gz UUOZSLZCAWLVHW-ZDUSSCGKSA-N 1 1 291.307 1.254 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000905117043 626628539 /nfs/dbraw/zinc/62/85/39/626628539.db2.gz LTWWOQIUDPTPSK-AWEZNQCLSA-N 1 1 263.341 1.517 20 5 CDBDMO O=[N+]([O-])CCNC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000905117043 626628540 /nfs/dbraw/zinc/62/85/40/626628540.db2.gz LTWWOQIUDPTPSK-AWEZNQCLSA-N 1 1 263.341 1.517 20 5 CDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905182108 626664819 /nfs/dbraw/zinc/66/48/19/626664819.db2.gz WREZDMRCUNEIDC-GFCCVEGCSA-N 1 1 278.356 1.473 20 5 CDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335707 1162339006 /nfs/dbraw/zinc/33/90/06/1162339006.db2.gz QMDZUWJQSYVCOT-ABAIWWIYSA-N 1 1 294.351 1.991 20 5 CDBDMO CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753364358 1185169952 /nfs/dbraw/zinc/16/99/52/1185169952.db2.gz ZQZBNQOLZQDDBS-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753364358 1185169958 /nfs/dbraw/zinc/16/99/58/1185169958.db2.gz ZQZBNQOLZQDDBS-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753364358 1185169964 /nfs/dbraw/zinc/16/99/64/1185169964.db2.gz ZQZBNQOLZQDDBS-CHWSQXEVSA-N 1 1 283.372 1.232 20 5 CDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827332937 711843550 /nfs/dbraw/zinc/84/35/50/711843550.db2.gz VQAQCDYUJJIGAL-CHWSQXEVSA-N 1 1 297.399 1.765 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782617024 711907256 /nfs/dbraw/zinc/90/72/56/711907256.db2.gz KJAQMDNNJHLSCO-SWLSCSKDSA-N 1 1 292.335 1.678 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1NCC[N@H+](C)CCOCCO ZINC000882951507 711945531 /nfs/dbraw/zinc/94/55/31/711945531.db2.gz IKUCHRBENABGNI-UHFFFAOYSA-N 1 1 297.355 1.256 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815639 712182678 /nfs/dbraw/zinc/18/26/78/712182678.db2.gz HCLINDIKMUPYKQ-OLZOCXBDSA-N 1 1 294.355 1.601 20 5 CDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839571448 712295294 /nfs/dbraw/zinc/29/52/94/712295294.db2.gz OPIUABCLWMUDOW-IJLUTSLNSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839571448 712295295 /nfs/dbraw/zinc/29/52/95/712295295.db2.gz OPIUABCLWMUDOW-IJLUTSLNSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839571448 712295297 /nfs/dbraw/zinc/29/52/97/712295297.db2.gz OPIUABCLWMUDOW-IJLUTSLNSA-N 1 1 283.372 1.278 20 5 CDBDMO C[C@@H]1OCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776587127 712415573 /nfs/dbraw/zinc/41/55/73/712415573.db2.gz UKFLMKIXPGBUSK-MJVIPROJSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1OCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776587127 712415574 /nfs/dbraw/zinc/41/55/74/712415574.db2.gz UKFLMKIXPGBUSK-MJVIPROJSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337912 712428396 /nfs/dbraw/zinc/42/83/96/712428396.db2.gz DUWGNHWNNNXCRK-MXWKQRLJSA-N 1 1 275.308 1.874 20 5 CDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886337912 712428397 /nfs/dbraw/zinc/42/83/97/712428397.db2.gz DUWGNHWNNNXCRK-MXWKQRLJSA-N 1 1 275.308 1.874 20 5 CDBDMO C[N@H+]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000164671682 712484184 /nfs/dbraw/zinc/48/41/84/712484184.db2.gz LAFFVKWNMGTAKJ-YPMHNXCESA-N 1 1 279.344 1.165 20 5 CDBDMO CC[N@H+]1CCN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000804573837 712509480 /nfs/dbraw/zinc/50/94/80/712509480.db2.gz QBEQCEDMMLPHND-JTQLQIEISA-N 1 1 264.329 1.707 20 5 CDBDMO O=[N+]([O-])c1c(F)nccc1NCC[NH+]1CCSCC1 ZINC000881976062 712705767 /nfs/dbraw/zinc/70/57/67/712705767.db2.gz GOSWCQWRZOIXTB-UHFFFAOYSA-N 1 1 286.332 1.590 20 5 CDBDMO Cc1nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408067969 719153735 /nfs/dbraw/zinc/15/37/35/719153735.db2.gz QDQDSWQBPFTNNH-UWVGGRQHSA-N 1 1 264.329 1.827 20 5 CDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001164640730 719169358 /nfs/dbraw/zinc/16/93/58/719169358.db2.gz VQKICMSQCNPADU-VHSXEESVSA-N 1 1 250.302 1.519 20 5 CDBDMO Cc1ccnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC001164635762 719171010 /nfs/dbraw/zinc/17/10/10/719171010.db2.gz LSBNGKCCAYIVHP-GHMZBOCLSA-N 1 1 264.329 1.827 20 5 CDBDMO C[N@H+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1(C)C ZINC000865914713 1164708782 /nfs/dbraw/zinc/70/87/82/1164708782.db2.gz VEZSYHCVQBCDBU-UHFFFAOYSA-N 1 1 297.330 1.757 20 5 CDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(CO)CC2)c(F)c1 ZINC000877798319 1166103509 /nfs/dbraw/zinc/10/35/09/1166103509.db2.gz MVEJIFTZEMWVKP-UHFFFAOYSA-N 1 1 298.314 1.301 20 5 CDBDMO CS[C@H]1CC[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254801 1167420372 /nfs/dbraw/zinc/42/03/72/1167420372.db2.gz GBIWYIHMJSIIQC-ZJUUUORDSA-N 1 1 270.358 1.965 20 5 CDBDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C1 ZINC001252254801 1167420375 /nfs/dbraw/zinc/42/03/75/1167420375.db2.gz GBIWYIHMJSIIQC-ZJUUUORDSA-N 1 1 270.358 1.965 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H](O)C1 ZINC001173223357 912310565 /nfs/dbraw/zinc/31/05/65/912310565.db2.gz ZMHFIDZPOKGFJE-BXUZGUMPSA-N 1 1 280.324 1.219 20 5 CDBDMO CC[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227109126 906047562 /nfs/dbraw/zinc/04/75/62/906047562.db2.gz SZXLOAPXYRIRHJ-SECBINFHSA-N 1 1 282.256 1.371 20 5 CDBDMO COc1nc(C)c(NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001168316010 908996379 /nfs/dbraw/zinc/99/63/79/908996379.db2.gz SGYADRDYMHAQPL-UHFFFAOYSA-N 1 1 280.328 1.811 20 5 CDBDMO O=C(NCC[NH2+]CCCc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936895 909938324 /nfs/dbraw/zinc/93/83/24/909938324.db2.gz WPOYUQFLHSMOPB-VXGBXAGGSA-N 1 1 297.380 1.052 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117725 911160702 /nfs/dbraw/zinc/16/07/02/911160702.db2.gz MIPPPFGHLIEQOV-DGCLKSJQSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000698117725 911160720 /nfs/dbraw/zinc/16/07/20/911160720.db2.gz MIPPPFGHLIEQOV-DGCLKSJQSA-N 1 1 284.287 1.052 20 5 CDBDMO CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001398381 936551516 /nfs/dbraw/zinc/55/15/16/936551516.db2.gz CMQCHGKXAUKWPF-CHWSQXEVSA-N 1 1 283.372 1.280 20 5 CDBDMO O=CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000827877422 936611952 /nfs/dbraw/zinc/61/19/52/936611952.db2.gz MZDYCYBMJUYSEG-ZZXKWVIFSA-N 1 1 289.335 1.772 20 5 CDBDMO O=CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000827877422 936611953 /nfs/dbraw/zinc/61/19/53/936611953.db2.gz MZDYCYBMJUYSEG-ZZXKWVIFSA-N 1 1 289.335 1.772 20 5 CDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@@H]21 ZINC001186509014 920053212 /nfs/dbraw/zinc/05/32/12/920053212.db2.gz BBNIBMPREOFYGP-MNOVXSKESA-N 1 1 287.323 1.383 20 5 CDBDMO [NH3+]CC[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000923479832 923867333 /nfs/dbraw/zinc/86/73/33/923867333.db2.gz SWORKLOZHBPMSQ-JTQLQIEISA-N 1 1 250.302 1.161 20 5 CDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000776274541 926534924 /nfs/dbraw/zinc/53/49/24/926534924.db2.gz DVBWFQSMSYYVIV-MISXGVKJSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000776274541 926534928 /nfs/dbraw/zinc/53/49/28/926534928.db2.gz DVBWFQSMSYYVIV-MISXGVKJSA-N 1 1 280.324 1.737 20 5 CDBDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@H]1O ZINC001169006173 927608269 /nfs/dbraw/zinc/60/82/69/927608269.db2.gz FPLRALPCMXCJGD-YVECIDJPSA-N 1 1 256.346 1.525 20 5 CDBDMO CC(C)[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007118 927610717 /nfs/dbraw/zinc/61/07/17/927610717.db2.gz LIFHQXCXZXYBQA-OLZOCXBDSA-N 1 1 255.362 1.458 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001169011926 927616213 /nfs/dbraw/zinc/61/62/13/927616213.db2.gz NREBKQGYNFANLJ-VLEAKVRGSA-N 1 1 296.289 1.534 20 5 CDBDMO C[C@]1(CO)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010549 927616799 /nfs/dbraw/zinc/61/67/99/927616799.db2.gz DKLGIDINDVVMKF-RDBSUJKOSA-N 1 1 270.373 1.916 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCCCC3)C2)C1 ZINC001169027877 927632284 /nfs/dbraw/zinc/63/22/84/927632284.db2.gz RKBMBKTZWCEEKM-QLFBSQMISA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001169027877 927632291 /nfs/dbraw/zinc/63/22/91/927632291.db2.gz RKBMBKTZWCEEKM-QLFBSQMISA-N 1 1 281.400 1.992 20 5 CDBDMO Cc1noc([C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169035138 927641156 /nfs/dbraw/zinc/64/11/56/927641156.db2.gz AKVBAGDKFPZFKD-QJPTWQEYSA-N 1 1 280.328 1.613 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC001169037053 927647002 /nfs/dbraw/zinc/64/70/02/927647002.db2.gz IDQHMOIOSRAXHB-WOPDTQHZSA-N 1 1 289.326 1.457 20 5 CDBDMO CCO[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCO[C@H]12 ZINC001169018985 927660636 /nfs/dbraw/zinc/66/06/36/927660636.db2.gz FXPSPRKGOYIIRF-AHDPXTMNSA-N 1 1 298.383 1.700 20 5 CDBDMO CCN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051403 927668787 /nfs/dbraw/zinc/66/87/87/927668787.db2.gz DOPHIHTZQFPZSW-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051403 927668793 /nfs/dbraw/zinc/66/87/93/927668793.db2.gz DOPHIHTZQFPZSW-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO CC[N@H+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169051403 927668800 /nfs/dbraw/zinc/66/88/00/927668800.db2.gz DOPHIHTZQFPZSW-FRRDWIJNSA-N 1 1 255.362 1.458 20 5 CDBDMO C[N@@H+](Cc1cncnc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169054252 927671848 /nfs/dbraw/zinc/67/18/48/927671848.db2.gz LIRDDKAGZHTAAV-JQWIXIFHSA-N 1 1 250.302 1.354 20 5 CDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000855286263 928386553 /nfs/dbraw/zinc/38/65/53/928386553.db2.gz NSFAOYJHFQICDH-NSHDSACASA-N 1 1 285.388 1.811 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795751 928629839 /nfs/dbraw/zinc/62/98/39/928629839.db2.gz IVKRKZQNOHWEDN-UXIGCNINSA-N 1 1 294.351 1.579 20 5 CDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000882480545 930008734 /nfs/dbraw/zinc/00/87/34/930008734.db2.gz UTUKTJKUKKZXBW-NSHDSACASA-N 1 1 293.323 1.427 20 5 CDBDMO Cc1nnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819217527 930775826 /nfs/dbraw/zinc/77/58/26/930775826.db2.gz CIEWCGYWCWTAJG-NSHDSACASA-N 1 1 294.336 1.578 20 5 CDBDMO N[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Cl ZINC001159778790 930830827 /nfs/dbraw/zinc/83/08/27/930830827.db2.gz ACNKILLCRNGVTB-MRVPVSSYSA-N 1 1 259.697 1.079 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000886571925 930909312 /nfs/dbraw/zinc/90/93/12/930909312.db2.gz ONEBBBCYHPOUFR-DTORHVGOSA-N 1 1 269.326 1.686 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886821920 930969184 /nfs/dbraw/zinc/96/91/84/930969184.db2.gz JSYXBIXPLOMFJX-AAEUAGOBSA-N 1 1 280.328 1.292 20 5 CDBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449989 931607347 /nfs/dbraw/zinc/60/73/47/931607347.db2.gz NMPXGQWPZPISPA-VIFPVBQESA-N 1 1 256.277 1.937 20 5 CDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928565779 933158320 /nfs/dbraw/zinc/15/83/20/933158320.db2.gz MJYREIFOLDLHJY-SNVBAGLBSA-N 1 1 288.307 1.510 20 5 CDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928565779 933158322 /nfs/dbraw/zinc/15/83/22/933158322.db2.gz MJYREIFOLDLHJY-SNVBAGLBSA-N 1 1 288.307 1.510 20 5 CDBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928564096 933160549 /nfs/dbraw/zinc/16/05/49/933160549.db2.gz RHQROWFTCQITPA-LBPRGKRZSA-N 1 1 277.324 1.591 20 5 CDBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928564096 933160552 /nfs/dbraw/zinc/16/05/52/933160552.db2.gz RHQROWFTCQITPA-LBPRGKRZSA-N 1 1 277.324 1.591 20 5 CDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[N+](=O)[O-] ZINC000930353032 933365436 /nfs/dbraw/zinc/36/54/36/933365436.db2.gz DTYZVJJJCGAAQO-UHFFFAOYSA-N 1 1 253.258 1.346 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[N+](=O)[O-] ZINC000930353032 933365445 /nfs/dbraw/zinc/36/54/45/933365445.db2.gz DTYZVJJJCGAAQO-UHFFFAOYSA-N 1 1 253.258 1.346 20 5 CDBDMO Cc1nc(NCC[N@H+]2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC001120069861 937778622 /nfs/dbraw/zinc/77/86/22/937778622.db2.gz AYWQFZKUNMFISU-UHFFFAOYSA-N 1 1 279.344 1.837 20 5 CDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)n2)C(C)(C)C1 ZINC001158563045 938636874 /nfs/dbraw/zinc/63/68/74/938636874.db2.gz TXSPYEARQUBNSB-UHFFFAOYSA-N 1 1 294.355 1.919 20 5 CDBDMO N[C@H](CCC[NH3+])Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001159785306 938752530 /nfs/dbraw/zinc/75/25/30/938752530.db2.gz ONPKRQPZOJVGHO-ZETCQYMHSA-N 1 1 294.142 1.732 20 5 CDBDMO CC(C)C[N@H+]1CC[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001162818954 939149296 /nfs/dbraw/zinc/14/92/96/939149296.db2.gz MXISFHMFUMOCTP-LLVKDONJSA-N 1 1 281.360 1.718 20 5 CDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225579903 941883258 /nfs/dbraw/zinc/88/32/58/941883258.db2.gz WORTXAGOBIOGDB-LLVKDONJSA-N 1 1 284.287 1.833 20 5 CDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C2 ZINC001225661782 941895656 /nfs/dbraw/zinc/89/56/56/941895656.db2.gz PDRAVSVUFMARQK-ILWJIGKKSA-N 1 1 279.296 1.699 20 5 CDBDMO CC(C)[N@H+]1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879951 942387472 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O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H]1CO)C2 ZINC001254594584 947546446 /nfs/dbraw/zinc/54/64/46/947546446.db2.gz RSFWVMCOHTVFGX-KGLIPLIRSA-N 1 1 262.309 1.519 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCn3cncc3C1)C2 ZINC001254602995 947554165 /nfs/dbraw/zinc/55/41/65/947554165.db2.gz JRLBYQMUITUMBE-AWEZNQCLSA-N 1 1 284.319 1.774 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCn3cncc3C1)C2 ZINC001254602995 947554170 /nfs/dbraw/zinc/55/41/70/947554170.db2.gz JRLBYQMUITUMBE-AWEZNQCLSA-N 1 1 284.319 1.774 20 5 CDBDMO CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610223 947555856 /nfs/dbraw/zinc/55/58/56/947555856.db2.gz JLKBRCDSMJXYQU-JYJNAYRXSA-N 1 1 287.363 1.840 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610223 947555860 /nfs/dbraw/zinc/55/58/60/947555860.db2.gz JLKBRCDSMJXYQU-JYJNAYRXSA-N 1 1 287.363 1.840 20 5 CDBDMO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610223 947555865 /nfs/dbraw/zinc/55/58/65/947555865.db2.gz JLKBRCDSMJXYQU-JYJNAYRXSA-N 1 1 287.363 1.840 20 5 CDBDMO N[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568762 948288166 /nfs/dbraw/zinc/28/81/66/948288166.db2.gz AYWFSTOODOXAEO-RRFJBIMHSA-N 1 1 293.342 1.823 20 5 CDBDMO [NH3+][C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001246568762 948288174 /nfs/dbraw/zinc/28/81/74/948288174.db2.gz AYWFSTOODOXAEO-RRFJBIMHSA-N 1 1 293.342 1.823 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001324547587 953434885 /nfs/dbraw/zinc/43/48/85/953434885.db2.gz ABAAAIBLIUNWPW-LLVKDONJSA-N 1 1 271.361 1.375 20 5 CDBDMO CO[C@@](C)(CO)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308839986 956588140 /nfs/dbraw/zinc/58/81/40/956588140.db2.gz ICAYZOYIGXDPIC-CYBMUJFWSA-N 1 1 295.295 1.223 20 5 CDBDMO Cc1cccc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001336491518 960365638 /nfs/dbraw/zinc/36/56/38/960365638.db2.gz MMNDFVVMHSQVOB-UHFFFAOYSA-N 1 1 292.339 1.089 20 5 CDBDMO C[NH+](C)Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2N)o1 ZINC001324178475 961218557 /nfs/dbraw/zinc/21/85/57/961218557.db2.gz NOJZPLIUYILHDM-UHFFFAOYSA-N 1 1 281.247 1.428 20 5 CDBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337837116 961460698 /nfs/dbraw/zinc/46/06/98/961460698.db2.gz PBKSKHNJHFCZCO-SECBINFHSA-N 1 1 267.333 1.714 20 5 CDBDMO C[C@@H](Nc1ccnc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001339815413 962553259 /nfs/dbraw/zinc/55/32/59/962553259.db2.gz MNANUWHJJVYHFQ-KOLCDFICSA-N 1 1 297.334 1.175 20 5 CDBDMO COc1cccc2c1OCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC001346152115 964956793 /nfs/dbraw/zinc/95/67/93/964956793.db2.gz YWDYPAQJTFHVNB-SNVBAGLBSA-N 1 1 252.270 1.385 20 5 CDBDMO CCNC(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000048610532 342138618 /nfs/dbraw/zinc/13/86/18/342138618.db2.gz IWGIYRBPDMGWNG-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO CCNC(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000048610532 342138619 /nfs/dbraw/zinc/13/86/19/342138619.db2.gz IWGIYRBPDMGWNG-UHFFFAOYSA-N 1 1 281.312 1.042 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000594600457 342929841 /nfs/dbraw/zinc/92/98/41/342929841.db2.gz LIWFZFLZYRDBSJ-NWDGAFQWSA-N 1 1 277.328 1.814 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000055897518 349702114 /nfs/dbraw/zinc/70/21/14/349702114.db2.gz IWATYIQITLFUIQ-CYBMUJFWSA-N 1 1 280.324 1.820 20 5 CDBDMO C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312503 343033296 /nfs/dbraw/zinc/03/32/96/343033296.db2.gz YPDOEVVAIUVLRO-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312503 343033297 /nfs/dbraw/zinc/03/32/97/343033297.db2.gz YPDOEVVAIUVLRO-UHFFFAOYSA-N 1 1 297.330 1.498 20 5 CDBDMO CC[C@H](C)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075721061 342312721 /nfs/dbraw/zinc/31/27/21/342312721.db2.gz NRYAYJNGYCDQOD-JQWIXIFHSA-N 1 1 270.333 1.130 20 5 CDBDMO Cc1noc(C[N@@H+]2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000595437825 343060770 /nfs/dbraw/zinc/06/07/70/343060770.db2.gz JZRMPDJODMPHGT-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO Cc1noc(C[N@H+]2CCC[C@]2(C)CO)c1[N+](=O)[O-] ZINC000595437825 343060771 /nfs/dbraw/zinc/06/07/71/343060771.db2.gz JZRMPDJODMPHGT-LLVKDONJSA-N 1 1 255.274 1.238 20 5 CDBDMO CO[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595523142 343088964 /nfs/dbraw/zinc/08/89/64/343088964.db2.gz IPKWMRKVPHIPAZ-WCBMZHEXSA-N 1 1 269.301 1.748 20 5 CDBDMO CO[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000595523142 343088966 /nfs/dbraw/zinc/08/89/66/343088966.db2.gz IPKWMRKVPHIPAZ-WCBMZHEXSA-N 1 1 269.301 1.748 20 5 CDBDMO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483124 342404547 /nfs/dbraw/zinc/40/45/47/342404547.db2.gz SQQXEVHFDDKYPC-UHFFFAOYSA-N 1 1 292.383 1.669 20 5 CDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000342997430 362284756 /nfs/dbraw/zinc/28/47/56/362284756.db2.gz FUALUFYEVRZOJS-RISCZKNCSA-N 1 1 291.351 1.451 20 5 CDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000601537247 344185795 /nfs/dbraw/zinc/18/57/95/344185795.db2.gz ASDUMANZGICGSP-AOOOYVTPSA-N 1 1 293.298 1.368 20 5 CDBDMO CC[C@@]1(C)COCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795776 344586664 /nfs/dbraw/zinc/58/66/64/344586664.db2.gz CDWSVZKEPDONSX-ZDUSSCGKSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@@]1(C)COCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602795776 344586665 /nfs/dbraw/zinc/58/66/65/344586665.db2.gz CDWSVZKEPDONSX-ZDUSSCGKSA-N 1 1 282.344 1.601 20 5 CDBDMO CC[C@@H]1C[N@@H+](C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832531 344614864 /nfs/dbraw/zinc/61/48/64/344614864.db2.gz OZJPJAKQAVRAFZ-GFCCVEGCSA-N 1 1 281.360 1.126 20 5 CDBDMO COC[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836875 344619106 /nfs/dbraw/zinc/61/91/06/344619106.db2.gz HVQKMQHXCNQIFI-GFCCVEGCSA-N 1 1 282.344 1.601 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000602839193 344620675 /nfs/dbraw/zinc/62/06/75/344620675.db2.gz IYUXJKRIGFBHGT-LBPRGKRZSA-N 1 1 296.396 1.927 20 5 CDBDMO COCCCC[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602845582 344623683 /nfs/dbraw/zinc/62/36/83/344623683.db2.gz KRIXTDCNLAVMFJ-UHFFFAOYSA-N 1 1 270.333 1.458 20 5 CDBDMO NC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603846111 344837914 /nfs/dbraw/zinc/83/79/14/344837914.db2.gz QAXGTVADPMMROV-LBPRGKRZSA-N 1 1 277.324 1.335 20 5 CDBDMO O=[N+]([O-])c1ccc(OCCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000604013629 344852532 /nfs/dbraw/zinc/85/25/32/344852532.db2.gz XROPOSOLXHFAIY-STQMWFEESA-N 1 1 291.351 1.515 20 5 CDBDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075747773 345609186 /nfs/dbraw/zinc/60/91/86/345609186.db2.gz BQTXWKJPFQREOY-KBPBESRZSA-N 1 1 296.371 1.663 20 5 CDBDMO CC[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084658 346604016 /nfs/dbraw/zinc/60/40/16/346604016.db2.gz HXWGTZLVPXHLFO-SNVBAGLBSA-N 1 1 292.339 1.224 20 5 CDBDMO CC[NH+]1CCN(C(=O)CNc2sccc2[N+](=O)[O-])CC1 ZINC000611412428 346779988 /nfs/dbraw/zinc/77/99/88/346779988.db2.gz ZJQQPMQLCATEIJ-UHFFFAOYSA-N 1 1 298.368 1.232 20 5 CDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066923917 347546477 /nfs/dbraw/zinc/54/64/77/347546477.db2.gz XEYGTMRSKHCUCR-UHFFFAOYSA-N 1 1 281.287 1.558 20 5 CDBDMO C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273350930 192122590 /nfs/dbraw/zinc/12/25/90/192122590.db2.gz CKXHIQGRYDPUIO-UHFFFAOYSA-N 1 1 296.302 1.903 20 5 CDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C[N@H+]1C ZINC000615496055 348561001 /nfs/dbraw/zinc/56/10/01/348561001.db2.gz ATZJOMAQCGVEST-BDAKNGLRSA-N 1 1 282.319 1.845 20 5 CDBDMO C[N@@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058857618 348872084 /nfs/dbraw/zinc/87/20/84/348872084.db2.gz AUXDAZRNRLUOIX-RUDMXATFSA-N 1 1 289.335 1.818 20 5 CDBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000068916223 349084052 /nfs/dbraw/zinc/08/40/52/349084052.db2.gz AMBOLHMVTADKSO-UHFFFAOYSA-N 1 1 264.329 1.910 20 5 CDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn[nH]c1 ZINC000619847275 350862515 /nfs/dbraw/zinc/86/25/15/350862515.db2.gz LVDRYUMJLWTGJC-UHFFFAOYSA-N 1 1 260.297 1.992 20 5 CDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263825 186381960 /nfs/dbraw/zinc/38/19/60/186381960.db2.gz HSAILVNCYLCZPT-LBPRGKRZSA-N 1 1 277.324 1.553 20 5 CDBDMO CC(C)([NH2+]CC(=O)N1CCC1)c1ccccc1[N+](=O)[O-] ZINC000292249632 198217402 /nfs/dbraw/zinc/21/74/02/198217402.db2.gz XOYGAASBJUSVMV-UHFFFAOYSA-N 1 1 277.324 1.652 20 5 CDBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292356656 198257536 /nfs/dbraw/zinc/25/75/36/198257536.db2.gz XTGOCWPRAUXSLM-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292356656 198257537 /nfs/dbraw/zinc/25/75/37/198257537.db2.gz XTGOCWPRAUXSLM-SECBINFHSA-N 1 1 286.303 1.945 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)C2)c2c(c1)COCO2 ZINC000157449809 188317746 /nfs/dbraw/zinc/31/77/46/188317746.db2.gz ZXVNHLCICVNHCI-SNVBAGLBSA-N 1 1 294.307 1.276 20 5 CDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CO)C2)c2c(c1)COCO2 ZINC000157449809 188317747 /nfs/dbraw/zinc/31/77/47/188317747.db2.gz ZXVNHLCICVNHCI-SNVBAGLBSA-N 1 1 294.307 1.276 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC000366422822 363387146 /nfs/dbraw/zinc/38/71/46/363387146.db2.gz SDNFQPKYIDYSRD-GDNZZTSVSA-N 1 1 266.272 1.404 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(F)c1 ZINC000366422822 363387151 /nfs/dbraw/zinc/38/71/51/363387151.db2.gz SDNFQPKYIDYSRD-GDNZZTSVSA-N 1 1 266.272 1.404 20 5 CDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000286470712 356461098 /nfs/dbraw/zinc/46/10/98/356461098.db2.gz KWGFSHSNTMVXFP-ZIAGYGMSSA-N 1 1 280.324 1.819 20 5 CDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000226605494 356462390 /nfs/dbraw/zinc/46/23/90/356462390.db2.gz VZBNTQHABXNMLG-UHFFFAOYSA-N 1 1 294.355 1.637 20 5 CDBDMO COCC1=CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185874396 357586864 /nfs/dbraw/zinc/58/68/64/357586864.db2.gz ODQKGGAPEJQJGD-OAHLLOKOSA-N 1 1 292.335 1.907 20 5 CDBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000091561879 357718909 /nfs/dbraw/zinc/71/89/09/357718909.db2.gz DHTPIOVYXDSSIS-SNVBAGLBSA-N 1 1 281.360 1.644 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000360984219 357764023 /nfs/dbraw/zinc/76/40/23/357764023.db2.gz INTLHASKURTKFE-NSHDSACASA-N 1 1 281.360 1.650 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000264668574 357926937 /nfs/dbraw/zinc/92/69/37/357926937.db2.gz ZZBNXWBDAWTYHV-JTQLQIEISA-N 1 1 266.301 1.122 20 5 CDBDMO COC(=O)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000192385917 358197067 /nfs/dbraw/zinc/19/70/67/358197067.db2.gz CNLRDZOTZOXBIY-SNVBAGLBSA-N 1 1 296.327 1.207 20 5 CDBDMO COC(=O)[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000192385917 358197070 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COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000176206190 358737316 /nfs/dbraw/zinc/73/73/16/358737316.db2.gz ZNSJSDSFVOUYRM-UHFFFAOYSA-N 1 1 294.311 1.533 20 5 CDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351756690 358961610 /nfs/dbraw/zinc/96/16/10/358961610.db2.gz LLQLJMKJVBVCJF-MFKMUULPSA-N 1 1 250.298 1.450 20 5 CDBDMO Cc1ccc(C[N@@H+](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000092974750 359049205 /nfs/dbraw/zinc/04/92/05/359049205.db2.gz AMVGJFNSNWDKNW-UHFFFAOYSA-N 1 1 293.367 1.667 20 5 CDBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450787385 359003481 /nfs/dbraw/zinc/00/34/81/359003481.db2.gz FYDZVHNNKKPXMV-BETUJISGSA-N 1 1 293.367 1.795 20 5 CDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncccc1[N+](=O)[O-] ZINC000265218309 359004071 /nfs/dbraw/zinc/00/40/71/359004071.db2.gz NUMUHFQCNHGEAF-LLVKDONJSA-N 1 1 264.329 1.768 20 5 CDBDMO Cc1ccnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450794562 359006180 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CNC(=O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177043834 189023601 /nfs/dbraw/zinc/02/36/01/189023601.db2.gz LAGOQGLNFYXFIV-UHFFFAOYSA-N 1 1 292.295 1.304 20 5 CDBDMO C[N@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248168564 360426871 /nfs/dbraw/zinc/42/68/71/360426871.db2.gz UGCLHGDHCKRMPS-GXTWGEPZSA-N 1 1 293.371 1.207 20 5 CDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC1=CC[N@@H+](C)CC1 ZINC000289759635 360945557 /nfs/dbraw/zinc/94/55/57/360945557.db2.gz VLFPIODIVUFDNT-UHFFFAOYSA-N 1 1 279.344 1.793 20 5 CDBDMO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000053245474 361395551 /nfs/dbraw/zinc/39/55/51/361395551.db2.gz CFRWDZYADSQQBI-LLVKDONJSA-N 1 1 295.314 1.900 20 5 CDBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]cc2Cl)c1 ZINC000301728117 201163852 /nfs/dbraw/zinc/16/38/52/201163852.db2.gz RBBUBHZHZXMFFW-UHFFFAOYSA-N 1 1 267.676 1.952 20 5 CDBDMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293436914 239278920 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C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352016231 367336100 /nfs/dbraw/zinc/33/61/00/367336100.db2.gz VZMWCRVYBDYBHL-UWVGGRQHSA-N 1 1 295.314 1.899 20 5 CDBDMO CNC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282550714 367938265 /nfs/dbraw/zinc/93/82/65/367938265.db2.gz XDNHKGKKXDHYNI-UHFFFAOYSA-N 1 1 265.313 1.205 20 5 CDBDMO Cc1nn(C)c(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420633458 244300014 /nfs/dbraw/zinc/30/00/14/244300014.db2.gz JEKKEBTXJLLTJF-SNVBAGLBSA-N 1 1 267.333 1.167 20 5 CDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000330892795 203361186 /nfs/dbraw/zinc/36/11/86/203361186.db2.gz DHIBQFVPSIJDHX-RKDXNWHRSA-N 1 1 267.285 1.400 20 5 CDBDMO C[C@@H]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000422633554 245143942 /nfs/dbraw/zinc/14/39/42/245143942.db2.gz ILWNRCCFAGBVMT-UTUOFQBUSA-N 1 1 281.360 1.097 20 5 CDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000356655741 372991325 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C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CC2)C1 ZINC000451080768 390595689 /nfs/dbraw/zinc/59/56/89/390595689.db2.gz CFCJXZGGKCRPJO-LLVKDONJSA-N 1 1 293.371 1.244 20 5 CDBDMO NC(=O)c1ccc(C[N@@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000221185075 390810296 /nfs/dbraw/zinc/81/02/96/390810296.db2.gz PGNBSPPYJOUYSB-UHFFFAOYSA-N 1 1 293.323 1.041 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000516663946 390966197 /nfs/dbraw/zinc/96/61/97/390966197.db2.gz HCSXRSGLADDRGW-MRVPVSSYSA-N 1 1 283.357 1.374 20 5 CDBDMO Cc1nc(NCC[C@@H]2CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000413435608 391214359 /nfs/dbraw/zinc/21/43/59/391214359.db2.gz HJNUGVOWKUQFBG-NSHDSACASA-N 1 1 279.344 1.259 20 5 CDBDMO Cc1nc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449230393 391409031 /nfs/dbraw/zinc/40/90/31/391409031.db2.gz KJXDRDWDKRQARN-SNVBAGLBSA-N 1 1 289.339 1.785 20 5 CDBDMO Cc1nnc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449230393 391409035 /nfs/dbraw/zinc/40/90/35/391409035.db2.gz KJXDRDWDKRQARN-SNVBAGLBSA-N 1 1 289.339 1.785 20 5 CDBDMO [NH3+]C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000342119133 130275982 /nfs/dbraw/zinc/27/59/82/130275982.db2.gz HHRYZLLIJBCKEN-UHFFFAOYSA-N 1 1 292.339 1.394 20 5 CDBDMO NC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000342119133 130275984 /nfs/dbraw/zinc/27/59/84/130275984.db2.gz HHRYZLLIJBCKEN-UHFFFAOYSA-N 1 1 292.339 1.394 20 5 CDBDMO COCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054354035 391830619 /nfs/dbraw/zinc/83/06/19/391830619.db2.gz MRKCCVNVTLDZKQ-UHFFFAOYSA-N 1 1 282.296 1.540 20 5 CDBDMO COCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054354035 391830621 /nfs/dbraw/zinc/83/06/21/391830621.db2.gz MRKCCVNVTLDZKQ-UHFFFAOYSA-N 1 1 282.296 1.540 20 5 CDBDMO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243041 391908108 /nfs/dbraw/zinc/90/81/08/391908108.db2.gz VOBKDLHOQTWZMU-MFKMUULPSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000495243041 391908111 /nfs/dbraw/zinc/90/81/11/391908111.db2.gz VOBKDLHOQTWZMU-MFKMUULPSA-N 1 1 282.344 1.311 20 5 CDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717182 392721949 /nfs/dbraw/zinc/72/19/49/392721949.db2.gz KUIZWLDHNFPYGW-NEPJUHHUSA-N 1 1 280.324 1.676 20 5 CDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804399 392937556 /nfs/dbraw/zinc/93/75/56/392937556.db2.gz VLTWTZXGTFETBX-GFCCVEGCSA-N 1 1 291.351 1.595 20 5 CDBDMO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000422026610 392950408 /nfs/dbraw/zinc/95/04/08/392950408.db2.gz UIHZVTCEAJEVEN-SECBINFHSA-N 1 1 295.343 1.047 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000282062263 393170598 /nfs/dbraw/zinc/17/05/98/393170598.db2.gz BPHPCXUHTVOAAM-YPMHNXCESA-N 1 1 295.339 1.256 20 5 CDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275336572 135105104 /nfs/dbraw/zinc/10/51/04/135105104.db2.gz GUZLISAGCICIGK-WDEREUQCSA-N 1 1 297.330 1.625 20 5 CDBDMO Cc1nn(CCC[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000195333422 140153527 /nfs/dbraw/zinc/15/35/27/140153527.db2.gz NUYWZMFPNLGQQP-UHFFFAOYSA-N 1 1 268.317 1.130 20 5 CDBDMO Cc1ccc(C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093641809 147058152 /nfs/dbraw/zinc/05/81/52/147058152.db2.gz YAWIKMNGZQYAJO-HUUCEWRRSA-N 1 1 291.351 1.418 20 5 CDBDMO Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093641809 147058157 /nfs/dbraw/zinc/05/81/57/147058157.db2.gz YAWIKMNGZQYAJO-HUUCEWRRSA-N 1 1 291.351 1.418 20 5 CDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000094342134 147083118 /nfs/dbraw/zinc/08/31/18/147083118.db2.gz UVCPZJGTJQGMGS-RISCZKNCSA-N 1 1 263.341 1.806 20 5 CDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C1CC1)C1CC1 ZINC000176221133 148028445 /nfs/dbraw/zinc/02/84/45/148028445.db2.gz KHXQRYGRTBVFJR-UHFFFAOYSA-N 1 1 264.329 1.912 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000333982131 149293619 /nfs/dbraw/zinc/29/36/19/149293619.db2.gz HLGYWKZYCOCWAV-GXSJLCMTSA-N 1 1 295.314 1.946 20 5 CDBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000352545439 155262364 /nfs/dbraw/zinc/26/23/64/155262364.db2.gz ISXVMFYPIQDINN-LLVKDONJSA-N 1 1 266.297 1.824 20 5 CDBDMO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343513256 152207308 /nfs/dbraw/zinc/20/73/08/152207308.db2.gz JXDQLFAQLSPFKN-TVQRCGJNSA-N 1 1 295.314 1.946 20 5 CDBDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668690 155341745 /nfs/dbraw/zinc/34/17/45/155341745.db2.gz UIPODEHRWMTIAT-WCQYABFASA-N 1 1 280.324 1.949 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938783 157291599 /nfs/dbraw/zinc/29/15/99/157291599.db2.gz MJUPPNLWXNXFKW-VHSXEESVSA-N 1 1 268.317 1.064 20 5 CDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355938783 157291601 /nfs/dbraw/zinc/29/16/01/157291601.db2.gz MJUPPNLWXNXFKW-VHSXEESVSA-N 1 1 268.317 1.064 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000020940665 171281706 /nfs/dbraw/zinc/28/17/06/171281706.db2.gz ASFOQNOEUXWVMD-UHFFFAOYSA-N 1 1 293.323 1.301 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538543 175199436 /nfs/dbraw/zinc/19/94/36/175199436.db2.gz LPRLIJLOZHMIAW-SNVBAGLBSA-N 1 1 295.314 1.806 20 5 CDBDMO CC[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286768155 424631573 /nfs/dbraw/zinc/63/15/73/424631573.db2.gz ZRECNWJQOWXKAV-CYBMUJFWSA-N 1 1 293.367 2.000 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362142178 274724267 /nfs/dbraw/zinc/72/42/67/274724267.db2.gz NLWXIZJKEDQGID-LBPRGKRZSA-N 1 1 292.339 1.209 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000413249356 275041621 /nfs/dbraw/zinc/04/16/21/275041621.db2.gz LPMWYVHVQXQNAY-QMMMGPOBSA-N 1 1 277.259 1.752 20 5 CDBDMO C[C@@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC[N@H+]1C ZINC000447684587 279119145 /nfs/dbraw/zinc/11/91/45/279119145.db2.gz BTOPQCNJLSSIRE-MWLCHTKSSA-N 1 1 289.339 1.788 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000345037815 281011146 /nfs/dbraw/zinc/01/11/46/281011146.db2.gz QXSAMPKBRBDOAB-CYBMUJFWSA-N 1 1 293.367 1.796 20 5 CDBDMO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000562960373 293226247 /nfs/dbraw/zinc/22/62/47/293226247.db2.gz MMFQGXPDVRORQQ-SNVBAGLBSA-N 1 1 265.313 1.171 20 5 CDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000582795070 325046764 /nfs/dbraw/zinc/04/67/64/325046764.db2.gz LSZVSRSXJMEZQU-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000582795070 325046767 /nfs/dbraw/zinc/04/67/67/325046767.db2.gz LSZVSRSXJMEZQU-UHFFFAOYSA-N 1 1 266.301 1.089 20 5 CDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338428575 519623661 /nfs/dbraw/zinc/62/36/61/519623661.db2.gz WPAYCKNSSIMEPR-UHFFFAOYSA-N 1 1 265.313 1.665 20 5 CDBDMO CCS(=O)(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000069172953 521642868 /nfs/dbraw/zinc/64/28/68/521642868.db2.gz CYFSBILNYAWYEA-UHFFFAOYSA-N 1 1 278.355 1.181 20 5 CDBDMO COc1cc(C[N@H+](CCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000184250386 522359893 /nfs/dbraw/zinc/35/98/93/522359893.db2.gz WLIIEYFZBPFUNE-UHFFFAOYSA-N 1 1 286.303 1.945 20 5 CDBDMO COc1cc(C[N@@H+](CCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000184250386 522359900 /nfs/dbraw/zinc/35/99/00/522359900.db2.gz WLIIEYFZBPFUNE-UHFFFAOYSA-N 1 1 286.303 1.945 20 5 CDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@@H+](C)C1CC1 ZINC000340727082 524460439 /nfs/dbraw/zinc/46/04/39/524460439.db2.gz OJOSXIZZHGESRM-MRVPVSSYSA-N 1 1 266.301 1.135 20 5 CDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+](C)C1CC1 ZINC000068219668 524463574 /nfs/dbraw/zinc/46/35/74/524463574.db2.gz LNZUHRCWGDDJGY-MRVPVSSYSA-N 1 1 267.285 1.400 20 5 CDBDMO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000157350625 524918991 /nfs/dbraw/zinc/91/89/91/524918991.db2.gz BQZBOHNXPVCRQS-VHSXEESVSA-N 1 1 292.339 1.390 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nccn2C2CC2)c1 ZINC000893135696 617402049 /nfs/dbraw/zinc/40/20/49/617402049.db2.gz QPBFMGASNLZCEJ-UHFFFAOYSA-N 1 1 276.300 1.113 20 5 CDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934027025 617852128 /nfs/dbraw/zinc/85/21/28/617852128.db2.gz PZMQUTQDDCOXKY-LLVKDONJSA-N 1 1 252.270 1.040 20 5 CDBDMO O=C(CC[N@@H+]1CC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017570 617856216 /nfs/dbraw/zinc/85/62/16/617856216.db2.gz SIZNWZGWTQYANL-JTQLQIEISA-N 1 1 297.286 1.129 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893933808 618193333 /nfs/dbraw/zinc/19/33/33/618193333.db2.gz CVAVWKJTXSUAPL-LDYMZIIASA-N 1 1 282.731 1.784 20 5 CDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000894652003 619005356 /nfs/dbraw/zinc/00/53/56/619005356.db2.gz WMXSGYAEDBAUBJ-NSHDSACASA-N 1 1 296.323 1.656 20 5 CDBDMO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000223282327 619296986 /nfs/dbraw/zinc/29/69/86/619296986.db2.gz QMBSXWCSJRIZQQ-UXIGCNINSA-N 1 1 293.367 1.701 20 5 CDBDMO C[NH+](C)[C@@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055745 626605517 /nfs/dbraw/zinc/60/55/17/626605517.db2.gz RNXZQZQZDSZFOT-LBPRGKRZSA-N 1 1 255.293 1.295 20 5 CDBDMO COc1ccc2c(c1)OCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905139088 626652422 /nfs/dbraw/zinc/65/24/22/626652422.db2.gz QMNYOPSXBPDVCM-NSHDSACASA-N 1 1 252.270 1.385 20 5 CDBDMO CN(CC[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791052000 1162187454 /nfs/dbraw/zinc/18/74/54/1162187454.db2.gz JHRNJOQMRAVFGB-OAHLLOKOSA-N 1 1 277.368 1.717 20 5 CDBDMO COc1nc(NCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC001156002117 1167281537 /nfs/dbraw/zinc/28/15/37/1167281537.db2.gz REEWBOUWVFFGNV-UHFFFAOYSA-N 1 1 277.284 1.615 20 5 CDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](O)C2)c1F ZINC001173186485 912279393 /nfs/dbraw/zinc/27/93/93/912279393.db2.gz SGKLEALWUDWXCY-NXEZZACHSA-N 1 1 298.314 1.740 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCNC(=O)C1(C)C ZINC001173225637 912317006 /nfs/dbraw/zinc/31/70/06/912317006.db2.gz FAKNBUDNDYEALW-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC(=O)C1(C)C ZINC001173225637 912317019 /nfs/dbraw/zinc/31/70/19/912317019.db2.gz FAKNBUDNDYEALW-LLVKDONJSA-N 1 1 291.351 1.736 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001173238326 912367454 /nfs/dbraw/zinc/36/74/54/912367454.db2.gz PJOXEHOHIPRHBU-SWLSCSKDSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2CC[C@@H]2C1 ZINC001173238326 912367472 /nfs/dbraw/zinc/36/74/72/912367472.db2.gz PJOXEHOHIPRHBU-SWLSCSKDSA-N 1 1 275.352 1.916 20 5 CDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2CC[C@@H]2C1 ZINC001173238326 912367492 /nfs/dbraw/zinc/36/74/92/912367492.db2.gz PJOXEHOHIPRHBU-SWLSCSKDSA-N 1 1 275.352 1.916 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000247028138 894725236 /nfs/dbraw/zinc/72/52/36/894725236.db2.gz RUTRGZFVKHJYTR-CMPLNLGQSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000247028138 894725246 /nfs/dbraw/zinc/72/52/46/894725246.db2.gz RUTRGZFVKHJYTR-CMPLNLGQSA-N 1 1 266.301 1.250 20 5 CDBDMO CCOC[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177635486 898242896 /nfs/dbraw/zinc/24/28/96/898242896.db2.gz LRDAZDYYENBCMA-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000177635486 898242909 /nfs/dbraw/zinc/24/29/09/898242909.db2.gz LRDAZDYYENBCMA-GFCCVEGCSA-N 1 1 282.344 1.724 20 5 CDBDMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000714037318 909672025 /nfs/dbraw/zinc/67/20/25/909672025.db2.gz RZYOKAYXXCKWHS-OCCSQVGLSA-N 1 1 280.324 1.078 20 5 CDBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000827674466 936603448 /nfs/dbraw/zinc/60/34/48/936603448.db2.gz IUIOZIGCIREYMN-MNOVXSKESA-N 1 1 271.361 1.373 20 5 CDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721766 936921909 /nfs/dbraw/zinc/92/19/09/936921909.db2.gz SFAVXONKCAKGOO-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721766 936921911 /nfs/dbraw/zinc/92/19/11/936921911.db2.gz SFAVXONKCAKGOO-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721766 936921914 /nfs/dbraw/zinc/92/19/14/936921914.db2.gz SFAVXONKCAKGOO-MRVWCRGKSA-N 1 1 291.351 1.288 20 5 CDBDMO C[N@H+]1CCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119520513 925359102 /nfs/dbraw/zinc/35/91/02/925359102.db2.gz AKAQTOVKKJOXBW-ZDUSSCGKSA-N 1 1 275.308 1.531 20 5 CDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083144 926679451 /nfs/dbraw/zinc/67/94/51/926679451.db2.gz OTDICDBFKAFJKC-XJFOESAGSA-N 1 1 295.383 1.326 20 5 CDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)[NH2+]C3CC3)n2)n1C ZINC000843221303 937122311 /nfs/dbraw/zinc/12/23/11/937122311.db2.gz HDRCHQIBWWGFIB-ZCFIWIBFSA-N 1 1 292.299 1.500 20 5 CDBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001168956960 927577443 /nfs/dbraw/zinc/57/74/43/927577443.db2.gz DABPGXIIGVMCRL-GMTAPVOTSA-N 1 1 272.345 1.609 20 5 CDBDMO CCCN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968473 927590628 /nfs/dbraw/zinc/59/06/28/927590628.db2.gz ZIJFYYPPBOFSAW-TZMCWYRMSA-N 1 1 269.389 1.896 20 5 CDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008061 927612325 /nfs/dbraw/zinc/61/23/25/927612325.db2.gz RILSWJRQCICKFM-UPJWGTAASA-N 1 1 256.346 1.669 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC001169037776 927646662 /nfs/dbraw/zinc/64/66/62/927646662.db2.gz UEGYUCDWKFWRQN-SOUVJXGZSA-N 1 1 281.400 1.992 20 5 CDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001169037776 927646666 /nfs/dbraw/zinc/64/66/66/927646666.db2.gz UEGYUCDWKFWRQN-SOUVJXGZSA-N 1 1 281.400 1.992 20 5 CDBDMO CC[N@@H+](CCn1cccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039072 927650322 /nfs/dbraw/zinc/65/03/22/927650322.db2.gz MWVVHUFGHFXRMJ-STQMWFEESA-N 1 1 266.345 1.650 20 5 CDBDMO CN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(C)C ZINC001169039152 927651420 /nfs/dbraw/zinc/65/14/20/927651420.db2.gz NSZTYQGBNQEKHV-RYUDHWBXSA-N 1 1 255.362 1.458 20 5 CDBDMO CNCC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042865 927656954 /nfs/dbraw/zinc/65/69/54/927656954.db2.gz GOZVYYCVZHRIHM-RYUDHWBXSA-N 1 1 257.378 1.752 20 5 CDBDMO C[NH2+]CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169042865 927656957 /nfs/dbraw/zinc/65/69/57/927656957.db2.gz GOZVYYCVZHRIHM-RYUDHWBXSA-N 1 1 257.378 1.752 20 5 CDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001169025467 927663434 /nfs/dbraw/zinc/66/34/34/927663434.db2.gz JGDRMUSJRLIXKV-HZSPNIEDSA-N 1 1 267.373 1.602 20 5 CDBDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021452 927663658 /nfs/dbraw/zinc/66/36/58/927663658.db2.gz KWUJRGSANJDKIF-QSLWVIQJSA-N 1 1 295.383 1.134 20 5 CDBDMO COC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046880 927665923 /nfs/dbraw/zinc/66/59/23/927665923.db2.gz OCQSDGULMJZLQW-ZYHUDNBSSA-N 1 1 270.329 1.459 20 5 CDBDMO CN1C(=O)CC[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC[C@H]21 ZINC001169050613 927669275 /nfs/dbraw/zinc/66/92/75/927669275.db2.gz BYIVNGXZLGEHDF-XDQVBPFNSA-N 1 1 295.383 1.375 20 5 CDBDMO COCCCC[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057899 927675403 /nfs/dbraw/zinc/67/54/03/927675403.db2.gz YUSTVEHWSDJWFN-CABCVRRESA-N 1 1 299.415 1.476 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000776591359 927770979 /nfs/dbraw/zinc/77/09/79/927770979.db2.gz OBFSZVBSRCNDPY-UONOGXRCSA-N 1 1 296.367 1.967 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000776591684 927782571 /nfs/dbraw/zinc/78/25/71/927782571.db2.gz FSBGWSHKBGNCQU-ZDUSSCGKSA-N 1 1 294.307 1.077 20 5 CDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000776591684 927782577 /nfs/dbraw/zinc/78/25/77/927782577.db2.gz FSBGWSHKBGNCQU-ZDUSSCGKSA-N 1 1 294.307 1.077 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853581448 928051871 /nfs/dbraw/zinc/05/18/71/928051871.db2.gz VGZVHTODNSRRKC-QWRGUYRKSA-N 1 1 250.302 1.707 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]3C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853581448 928051881 /nfs/dbraw/zinc/05/18/81/928051881.db2.gz VGZVHTODNSRRKC-QWRGUYRKSA-N 1 1 250.302 1.707 20 5 CDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497263 928219303 /nfs/dbraw/zinc/21/93/03/928219303.db2.gz LVNARYXBSLWIFX-AOOOYVTPSA-N 1 1 292.339 1.988 20 5 CDBDMO Cc1nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480837 930579404 /nfs/dbraw/zinc/57/94/04/930579404.db2.gz BLSBZINKFLALSO-AAEUAGOBSA-N 1 1 280.328 1.558 20 5 CDBDMO Cc1nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000884480837 930579412 /nfs/dbraw/zinc/57/94/12/930579412.db2.gz BLSBZINKFLALSO-AAEUAGOBSA-N 1 1 280.328 1.558 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482866 930582627 /nfs/dbraw/zinc/58/26/27/930582627.db2.gz IWHNHKXOHXCWMO-ZYHUDNBSSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884482866 930582634 /nfs/dbraw/zinc/58/26/34/930582634.db2.gz IWHNHKXOHXCWMO-ZYHUDNBSSA-N 1 1 266.301 1.250 20 5 CDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000886085917 930802422 /nfs/dbraw/zinc/80/24/22/930802422.db2.gz FDXLNJLVZKMBAW-SNVBAGLBSA-N 1 1 253.327 1.927 20 5 CDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000886085917 930802428 /nfs/dbraw/zinc/80/24/28/930802428.db2.gz FDXLNJLVZKMBAW-SNVBAGLBSA-N 1 1 253.327 1.927 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338656 930866360 /nfs/dbraw/zinc/86/63/60/930866360.db2.gz NZXQUWPDNMBELJ-PHIMTYICSA-N 1 1 275.308 1.793 20 5 CDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338656 930866365 /nfs/dbraw/zinc/86/63/65/930866365.db2.gz NZXQUWPDNMBELJ-PHIMTYICSA-N 1 1 275.308 1.793 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000886572891 930909263 /nfs/dbraw/zinc/90/92/63/930909263.db2.gz IAPDSPYHBNIGJD-AEJSXWLSSA-N 1 1 267.285 1.094 20 5 CDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCC1 ZINC000824009518 931377234 /nfs/dbraw/zinc/37/72/34/931377234.db2.gz HSASTMKAPAPFBZ-UHFFFAOYSA-N 1 1 278.312 1.671 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000129022836 932781219 /nfs/dbraw/zinc/78/12/19/932781219.db2.gz RUTRGZFVKHJYTR-PWSUYJOCSA-N 1 1 266.301 1.250 20 5 CDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000129022836 932781224 /nfs/dbraw/zinc/78/12/24/932781224.db2.gz RUTRGZFVKHJYTR-PWSUYJOCSA-N 1 1 266.301 1.250 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929428766 933233818 /nfs/dbraw/zinc/23/38/18/933233818.db2.gz UXHBEUMCGJYIOM-LLVKDONJSA-N 1 1 287.360 1.500 20 5 CDBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929428766 933233821 /nfs/dbraw/zinc/23/38/21/933233821.db2.gz UXHBEUMCGJYIOM-LLVKDONJSA-N 1 1 287.360 1.500 20 5 CDBDMO COc1c(C)c[nH+]c(CN(C)CC[N+](=O)[O-])c1C ZINC000930616168 933414627 /nfs/dbraw/zinc/41/46/27/933414627.db2.gz WIQARFBYHKQLLU-UHFFFAOYSA-N 1 1 253.302 1.416 20 5 CDBDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932695309 933747114 /nfs/dbraw/zinc/74/71/14/933747114.db2.gz MXNCHPPMQXTZHK-NSHDSACASA-N 1 1 287.360 1.500 20 5 CDBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933859208 933865891 /nfs/dbraw/zinc/86/58/91/933865891.db2.gz JKGNBUBWMFFCAJ-UHFFFAOYSA-N 1 1 283.303 1.692 20 5 CDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049096525 934409066 /nfs/dbraw/zinc/40/90/66/934409066.db2.gz DSIUCDDSTFVBOS-SNVBAGLBSA-N 1 1 278.312 1.001 20 5 CDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000796500347 935310929 /nfs/dbraw/zinc/31/09/29/935310929.db2.gz GAROVDABSUHEEY-LBPRGKRZSA-N 1 1 266.297 1.085 20 5 CDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120826533 937839204 /nfs/dbraw/zinc/83/92/04/937839204.db2.gz ANMDZXXZNRMQFO-JQWIXIFHSA-N 1 1 291.355 1.493 20 5 CDBDMO C[NH2+][C@@H]1CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156661040 938402950 /nfs/dbraw/zinc/40/29/50/938402950.db2.gz TWKGTXFLEVSBGI-ZDUSSCGKSA-N 1 1 285.307 1.807 20 5 CDBDMO CCOc1nc(N2CC[N@H+]3CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001158433914 938625764 /nfs/dbraw/zinc/62/57/64/938625764.db2.gz PRTHSPIUIIGRDQ-SNVBAGLBSA-N 1 1 278.312 1.283 20 5 CDBDMO Cc1nc(NCC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001160967821 938852058 /nfs/dbraw/zinc/85/20/58/938852058.db2.gz CHSXWAOOCCQBNW-SNVBAGLBSA-N 1 1 265.317 1.589 20 5 CDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@H]([NH3+])C2)n1 ZINC001164322505 939455198 /nfs/dbraw/zinc/45/51/98/939455198.db2.gz BNWRSYWHQJQATH-SECBINFHSA-N 1 1 286.282 1.779 20 5 CDBDMO COc1nc(N2CC[N@@H+](C(C)C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001165198822 939522361 /nfs/dbraw/zinc/52/23/61/939522361.db2.gz JEBWKKADWPFNAB-SNVBAGLBSA-N 1 1 295.343 1.312 20 5 CDBDMO Cc1cnc(NCCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000090692114 940689104 /nfs/dbraw/zinc/68/91/04/940689104.db2.gz SXMCIFPOIYUMQS-UHFFFAOYSA-N 1 1 261.285 1.686 20 5 CDBDMO COc1cc(O[C@@H]2CCC[N@@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001226581524 942029838 /nfs/dbraw/zinc/02/98/38/942029838.db2.gz SRRFEHHBRSXOJA-SNVBAGLBSA-N 1 1 281.312 1.862 20 5 CDBDMO O=[N+]([O-])c1cncc(OC2CC[NH+](CCF)CC2)c1 ZINC001227988362 942252099 /nfs/dbraw/zinc/25/20/99/942252099.db2.gz RMJCJZUWLPESCF-UHFFFAOYSA-N 1 1 269.276 1.803 20 5 CDBDMO [NH2+]=C(NO)c1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1F ZINC001229082733 942415373 /nfs/dbraw/zinc/41/53/73/942415373.db2.gz HWTRCMMMJOYUAI-LLVKDONJSA-N 1 1 283.259 1.564 20 5 CDBDMO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001233553657 943616005 /nfs/dbraw/zinc/61/60/05/943616005.db2.gz LWXGSZHXEWWHSW-JTQLQIEISA-N 1 1 274.280 1.889 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C)C(=O)C1 ZINC001254563249 947524027 /nfs/dbraw/zinc/52/40/27/947524027.db2.gz VNUBRCCZBZEXGO-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C)C(=O)C1 ZINC001254563249 947524037 /nfs/dbraw/zinc/52/40/37/947524037.db2.gz VNUBRCCZBZEXGO-GFCCVEGCSA-N 1 1 291.351 1.690 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3COC[C@@H]3C1)C2 ZINC001254592469 947543996 /nfs/dbraw/zinc/54/39/96/947543996.db2.gz DONLBQPSRDLBHJ-VNHYZAJKSA-N 1 1 274.320 1.640 20 5 CDBDMO NC(=O)[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596405 947547174 /nfs/dbraw/zinc/54/71/74/947547174.db2.gz DJDBEOIFICFVTR-STQMWFEESA-N 1 1 275.308 1.012 20 5 CDBDMO CO[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599692 947548802 /nfs/dbraw/zinc/54/88/02/947548802.db2.gz OZDCJSYIBZVFNW-IHRRRGAJSA-N 1 1 280.299 1.731 20 5 CDBDMO CO[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1F ZINC001254599692 947548804 /nfs/dbraw/zinc/54/88/04/947548804.db2.gz OZDCJSYIBZVFNW-IHRRRGAJSA-N 1 1 280.299 1.731 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1Cc3cncnc3C1)C2 ZINC001254600729 947550413 /nfs/dbraw/zinc/55/04/13/947550413.db2.gz VGUGNEALTQWRKX-CQSZACIVSA-N 1 1 282.303 1.868 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1Cc3cncnc3C1)C2 ZINC001254600729 947550425 /nfs/dbraw/zinc/55/04/25/947550425.db2.gz VGUGNEALTQWRKX-CQSZACIVSA-N 1 1 282.303 1.868 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[N@H+]3CC[C@H]3C1)C2 ZINC001254605696 947552095 /nfs/dbraw/zinc/55/20/95/947552095.db2.gz CQOYWWPOSQCTPA-GJZGRUSLSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCN3CC[C@H]3C1)C2 ZINC001254605696 947552104 /nfs/dbraw/zinc/55/21/04/947552104.db2.gz CQOYWWPOSQCTPA-GJZGRUSLSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCN3CC[C@H]3C1)C2 ZINC001254605696 947552111 /nfs/dbraw/zinc/55/21/11/947552111.db2.gz CQOYWWPOSQCTPA-GJZGRUSLSA-N 1 1 273.336 1.452 20 5 CDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCNC[C@H]1F)C2 ZINC001246088606 947939158 /nfs/dbraw/zinc/93/91/58/947939158.db2.gz VINVEBSBAAIBTI-MRVWCRGKSA-N 1 1 279.315 1.352 20 5 CDBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[NH+]2CCCC2)n1 ZINC001247456489 948638148 /nfs/dbraw/zinc/63/81/48/948638148.db2.gz BZBMEJBXTKIVBW-UHFFFAOYSA-N 1 1 293.258 1.775 20 5 CDBDMO Cc1nc(N2CC[N@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC001329290141 955799611 /nfs/dbraw/zinc/79/96/11/955799611.db2.gz CNLBLRGHMZUTNS-UHFFFAOYSA-N 1 1 265.317 1.224 20 5 CDBDMO Cc1noc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC001329895082 956167040 /nfs/dbraw/zinc/16/70/40/956167040.db2.gz NMOZSUDZTNNDSQ-CYBMUJFWSA-N 1 1 283.328 1.732 20 5 CDBDMO Cc1noc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC001329895082 956167047 /nfs/dbraw/zinc/16/70/47/956167047.db2.gz NMOZSUDZTNNDSQ-CYBMUJFWSA-N 1 1 283.328 1.732 20 5 CDBDMO CCc1[nH+]ccn1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC001307207326 956379806 /nfs/dbraw/zinc/37/98/06/956379806.db2.gz PLEDNKWXTZCJNV-UHFFFAOYSA-N 1 1 292.343 1.991 20 5 CDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780099 956438605 /nfs/dbraw/zinc/43/86/05/956438605.db2.gz DNWFKRJTLQZSGM-PWSUYJOCSA-N 1 1 268.317 1.148 20 5 CDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]([NH3+])CC(F)F)n1 ZINC001332358716 957530258 /nfs/dbraw/zinc/53/02/58/957530258.db2.gz KSSXLLNISJPQIA-SCSAIBSYSA-N 1 1 288.214 1.033 20 5 CDBDMO C[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965604 958819076 /nfs/dbraw/zinc/81/90/76/958819076.db2.gz SPUXTCLIXAPVHM-LSDHHAIUSA-N 1 1 294.351 1.723 20 5 CDBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001335883147 960078429 /nfs/dbraw/zinc/07/84/29/960078429.db2.gz XDQBTPRGRYXISR-MFKMUULPSA-N 1 1 267.329 1.168 20 5 CDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001336490823 960365277 /nfs/dbraw/zinc/36/52/77/960365277.db2.gz IJBQGROLPAKHBE-JTQLQIEISA-N 1 1 279.344 1.714 20 5 CDBDMO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571650 969432764 /nfs/dbraw/zinc/43/27/64/969432764.db2.gz WSRROHQNTBXCAK-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO CC[N@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001356571650 969432772 /nfs/dbraw/zinc/43/27/72/969432772.db2.gz WSRROHQNTBXCAK-SWLSCSKDSA-N 1 1 293.367 1.560 20 5 CDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000601183961 342489121 /nfs/dbraw/zinc/48/91/21/342489121.db2.gz DWWUVIQQEZKHBO-NWDGAFQWSA-N 1 1 293.371 1.508 20 5 CDBDMO C[N@H+](CCn1ccccc1=O)Cc1ccccc1[N+](=O)[O-] ZINC000608788719 342047614 /nfs/dbraw/zinc/04/76/14/342047614.db2.gz QJNQTSAQIMDQOJ-UHFFFAOYSA-N 1 1 287.319 1.889 20 5 CDBDMO C[N@@H+](CCn1ccccc1=O)Cc1ccccc1[N+](=O)[O-] ZINC000608788719 342047615 /nfs/dbraw/zinc/04/76/15/342047615.db2.gz QJNQTSAQIMDQOJ-UHFFFAOYSA-N 1 1 287.319 1.889 20 5 CDBDMO Cc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000590754672 342587900 /nfs/dbraw/zinc/58/79/00/342587900.db2.gz NEIXFARFXFEVKI-UHFFFAOYSA-N 1 1 275.312 1.627 20 5 CDBDMO C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000457197749 365631623 /nfs/dbraw/zinc/63/16/23/365631623.db2.gz JMSVVKLGCYSLIE-UHFFFAOYSA-N 1 1 280.328 1.527 20 5 CDBDMO COCC[N@H+]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000609350691 342103673 /nfs/dbraw/zinc/10/36/73/342103673.db2.gz JNXMUPWBCMHBLQ-SNVBAGLBSA-N 1 1 266.301 1.122 20 5 CDBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281610 342624125 /nfs/dbraw/zinc/62/41/25/342624125.db2.gz FFLRYFGDXQLFRM-CDBNLRSOSA-N 1 1 279.315 1.898 20 5 CDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593058817 342760548 /nfs/dbraw/zinc/76/05/48/342760548.db2.gz PABXFJKQUWHNQW-WCQYABFASA-N 1 1 282.344 1.681 20 5 CDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593058817 342760550 /nfs/dbraw/zinc/76/05/50/342760550.db2.gz PABXFJKQUWHNQW-WCQYABFASA-N 1 1 282.344 1.681 20 5 CDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000593728026 342829681 /nfs/dbraw/zinc/82/96/81/342829681.db2.gz WGXOKCCCFFOCRT-GWCFXTLKSA-N 1 1 277.324 1.484 20 5 CDBDMO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080601117 342211722 /nfs/dbraw/zinc/21/17/22/342211722.db2.gz XGTGAYVYWDPVLF-NWDGAFQWSA-N 1 1 294.355 1.819 20 5 CDBDMO C[C@@H](CF)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588930539 342237472 /nfs/dbraw/zinc/23/74/72/342237472.db2.gz LSBNOCXYTRUSRN-QMMMGPOBSA-N 1 1 270.260 1.814 20 5 CDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000594600459 342929907 /nfs/dbraw/zinc/92/99/07/342929907.db2.gz LIWFZFLZYRDBSJ-VXGBXAGGSA-N 1 1 277.328 1.814 20 5 CDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C/C=C\CO)OCCO2 ZINC000594973600 342992385 /nfs/dbraw/zinc/99/23/85/342992385.db2.gz GQKJSUPIRWJCGC-UPHRSURJSA-N 1 1 280.280 1.004 20 5 CDBDMO Cc1noc(C[NH+]2CCC(CCO)CC2)c1[N+](=O)[O-] ZINC000595309744 343032632 /nfs/dbraw/zinc/03/26/32/343032632.db2.gz AVSGIOPWQDPPQC-UHFFFAOYSA-N 1 1 269.301 1.486 20 5 CDBDMO CCOC[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595348414 343045036 /nfs/dbraw/zinc/04/50/36/343045036.db2.gz SBIVSDPWRHFXRA-SNVBAGLBSA-N 1 1 269.301 1.750 20 5 CDBDMO CCOC[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595348414 343045037 /nfs/dbraw/zinc/04/50/37/343045037.db2.gz SBIVSDPWRHFXRA-SNVBAGLBSA-N 1 1 269.301 1.750 20 5 CDBDMO CC[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126219667 187224676 /nfs/dbraw/zinc/22/46/76/187224676.db2.gz WQXSINRFHSXRNF-UHFFFAOYSA-N 1 1 277.324 1.695 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000075766112 342317211 /nfs/dbraw/zinc/31/72/11/342317211.db2.gz JJLOBCZOZSFACX-WZRBSPASSA-N 1 1 282.344 1.273 20 5 CDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111668 342318790 /nfs/dbraw/zinc/31/87/90/342318790.db2.gz NFHJRBTXIBNLHI-SCRDCRAPSA-N 1 1 294.351 1.922 20 5 CDBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595503694 343079182 /nfs/dbraw/zinc/07/91/82/343079182.db2.gz AGGCBDHNQBFOBG-AWEZNQCLSA-N 1 1 293.371 1.209 20 5 CDBDMO Cc1noc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000595523842 343088888 /nfs/dbraw/zinc/08/88/88/343088888.db2.gz UWJARZSYIPESCH-APPZFPTMSA-N 1 1 255.274 1.094 20 5 CDBDMO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000595523842 343088889 /nfs/dbraw/zinc/08/88/89/343088889.db2.gz UWJARZSYIPESCH-APPZFPTMSA-N 1 1 255.274 1.094 20 5 CDBDMO Nc1c(F)c(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596087192 343233204 /nfs/dbraw/zinc/23/32/04/343233204.db2.gz GGLYUGJURDWRDP-MRVPVSSYSA-N 1 1 280.303 1.965 20 5 CDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596162997 343256811 /nfs/dbraw/zinc/25/68/11/343256811.db2.gz PXSVGXSYQJZISR-NSHDSACASA-N 1 1 293.371 1.384 20 5 CDBDMO Nc1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)nc1[N+](=O)[O-] ZINC000596211561 343267885 /nfs/dbraw/zinc/26/78/85/343267885.db2.gz UINUIGYMPONRAZ-NSHDSACASA-N 1 1 291.355 1.423 20 5 CDBDMO CC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168487 342377596 /nfs/dbraw/zinc/37/75/96/342377596.db2.gz RMRMJTMCTQTOLF-UHFFFAOYSA-N 1 1 265.269 1.550 20 5 CDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977170 342446590 /nfs/dbraw/zinc/44/65/90/342446590.db2.gz GXKKUZKKAFQAKT-GHMZBOCLSA-N 1 1 277.324 1.853 20 5 CDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597531800 343567810 /nfs/dbraw/zinc/56/78/10/343567810.db2.gz GUXRPKOWSPRDMM-CHWSQXEVSA-N 1 1 293.323 1.513 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000601975190 344305078 /nfs/dbraw/zinc/30/50/78/344305078.db2.gz ZEOIBYXDBKJVPT-DTORHVGOSA-N 1 1 284.262 1.951 20 5 CDBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000601975190 344305079 /nfs/dbraw/zinc/30/50/79/344305079.db2.gz ZEOIBYXDBKJVPT-DTORHVGOSA-N 1 1 284.262 1.951 20 5 CDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)CC1 ZINC000602818300 344608319 /nfs/dbraw/zinc/60/83/19/344608319.db2.gz CZNXXBOSVTYLDD-SNVBAGLBSA-N 1 1 284.385 1.927 20 5 CDBDMO CC[N@@H+](CCSC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602847432 344624650 /nfs/dbraw/zinc/62/46/50/344624650.db2.gz BNEPIQMSRHUVET-UHFFFAOYSA-N 1 1 272.374 1.785 20 5 CDBDMO CC(C)[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603845972 344838149 /nfs/dbraw/zinc/83/81/49/344838149.db2.gz RPJDOUNYDYDNMP-ZDUSSCGKSA-N 1 1 294.355 1.759 20 5 CDBDMO COc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000611134705 346617711 /nfs/dbraw/zinc/61/77/11/346617711.db2.gz AQIPMADPHMJUMD-UHFFFAOYSA-N 1 1 288.307 1.992 20 5 CDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413386 347553708 /nfs/dbraw/zinc/55/37/08/347553708.db2.gz SMWQSTUIJDMPNO-AWEZNQCLSA-N 1 1 291.351 1.943 20 5 CDBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346156 192120960 /nfs/dbraw/zinc/12/09/60/192120960.db2.gz BOYVEXBXKDWZJH-QMMMGPOBSA-N 1 1 282.275 1.560 20 5 CDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000046954165 348801768 /nfs/dbraw/zinc/80/17/68/348801768.db2.gz WBZLLASSTRUARF-QWRGUYRKSA-N 1 1 294.355 1.773 20 5 CDBDMO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046777921 348797006 /nfs/dbraw/zinc/79/70/06/348797006.db2.gz KRUWBVZYKYCXBT-UHFFFAOYSA-N 1 1 294.355 1.537 20 5 CDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554134 362937088 /nfs/dbraw/zinc/93/70/88/362937088.db2.gz GIQCNBHJWVFLCP-VIFPVBQESA-N 1 1 281.287 1.415 20 5 CDBDMO 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CC[N@@H+](CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000299131658 374424204 /nfs/dbraw/zinc/42/42/04/374424204.db2.gz MFTGVHZFGOTINT-UHFFFAOYSA-N 1 1 268.313 1.942 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000154854754 374766042 /nfs/dbraw/zinc/76/60/42/374766042.db2.gz JUVGQLQFTWEHFU-TVQRCGJNSA-N 1 1 283.303 1.865 20 5 CDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000154854754 374766048 /nfs/dbraw/zinc/76/60/48/374766048.db2.gz JUVGQLQFTWEHFU-TVQRCGJNSA-N 1 1 283.303 1.865 20 5 CDBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000279761130 374958225 /nfs/dbraw/zinc/95/82/25/374958225.db2.gz MFHMEIUWKCFKCS-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000279761130 374958230 /nfs/dbraw/zinc/95/82/30/374958230.db2.gz MFHMEIUWKCFKCS-LBPRGKRZSA-N 1 1 268.288 1.937 20 5 CDBDMO Cn1cc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000283097370 375108870 /nfs/dbraw/zinc/10/88/70/375108870.db2.gz LQELCAPDMJZAMD-LBPRGKRZSA-N 1 1 294.286 1.291 20 5 CDBDMO C[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000097213306 375157033 /nfs/dbraw/zinc/15/70/33/375157033.db2.gz AFIFQRILVHLGOX-UHFFFAOYSA-N 1 1 293.323 1.138 20 5 CDBDMO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000351819711 375333998 /nfs/dbraw/zinc/33/39/98/375333998.db2.gz LLPRPBRENDENFF-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000351819711 375334005 /nfs/dbraw/zinc/33/40/05/375334005.db2.gz LLPRPBRENDENFF-QPUJVOFHSA-N 1 1 254.261 1.547 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c(F)c1 ZINC000347343173 375576146 /nfs/dbraw/zinc/57/61/46/375576146.db2.gz RINSZLWYZJFAEL-TXEJJXNPSA-N 1 1 284.287 1.052 20 5 CDBDMO O=[N+]([O-])c1ccc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)c(F)c1 ZINC000347343173 375576155 /nfs/dbraw/zinc/57/61/55/375576155.db2.gz RINSZLWYZJFAEL-TXEJJXNPSA-N 1 1 284.287 1.052 20 5 CDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000305230542 375576476 /nfs/dbraw/zinc/57/64/76/375576476.db2.gz RNCBSGLQYLOCIF-DYEKYZERSA-N 1 1 296.371 1.520 20 5 CDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356833561 375865028 /nfs/dbraw/zinc/86/50/28/375865028.db2.gz YGLOFUNUKLSVAS-JTQLQIEISA-N 1 1 295.339 1.759 20 5 CDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356833561 375865029 /nfs/dbraw/zinc/86/50/29/375865029.db2.gz YGLOFUNUKLSVAS-JTQLQIEISA-N 1 1 295.339 1.759 20 5 CDBDMO C[C@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345166588 377404238 /nfs/dbraw/zinc/40/42/38/377404238.db2.gz SQUNEEYHRCNZNN-VHSXEESVSA-N 1 1 293.327 1.016 20 5 CDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000354434891 377694747 /nfs/dbraw/zinc/69/47/47/377694747.db2.gz QKMWTSCITNUTPP-WDEREUQCSA-N 1 1 294.355 1.868 20 5 CDBDMO CC(C)c1[nH+]ccn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270082711 377850054 /nfs/dbraw/zinc/85/00/54/377850054.db2.gz HAVXWAOFACHAHJ-NSHDSACASA-N 1 1 279.300 1.172 20 5 CDBDMO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000069670201 378502670 /nfs/dbraw/zinc/50/26/70/378502670.db2.gz AMXALAXYAKVBRA-JTQLQIEISA-N 1 1 283.303 1.237 20 5 CDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000174830394 379587321 /nfs/dbraw/zinc/58/73/21/379587321.db2.gz VCBQHMBUZBEVIF-NSHDSACASA-N 1 1 290.327 1.394 20 5 CDBDMO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC ZINC000281476289 195254891 /nfs/dbraw/zinc/25/48/91/195254891.db2.gz WJFVWTRANQKNPS-JTQLQIEISA-N 1 1 284.316 1.065 20 5 CDBDMO CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)OC ZINC000281476289 195254892 /nfs/dbraw/zinc/25/48/92/195254892.db2.gz WJFVWTRANQKNPS-JTQLQIEISA-N 1 1 284.316 1.065 20 5 CDBDMO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000281789858 195381567 /nfs/dbraw/zinc/38/15/67/195381567.db2.gz FKDGASDAYMGBHE-QMMMGPOBSA-N 1 1 272.330 1.184 20 5 CDBDMO COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000281789858 195381569 /nfs/dbraw/zinc/38/15/69/195381569.db2.gz FKDGASDAYMGBHE-QMMMGPOBSA-N 1 1 272.330 1.184 20 5 CDBDMO Cc1cccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450793316 390552565 /nfs/dbraw/zinc/55/25/65/390552565.db2.gz LGOGCXOATDGVGQ-BETUJISGSA-N 1 1 293.367 1.795 20 5 CDBDMO C[C@H]1CC[N@@H+](C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000354092475 391057730 /nfs/dbraw/zinc/05/77/30/391057730.db2.gz OCPQBWOVEPJAGG-VIFPVBQESA-N 1 1 295.368 1.834 20 5 CDBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000408068506 391239003 /nfs/dbraw/zinc/23/90/03/391239003.db2.gz VPXNXCQLXICPAZ-WDEREUQCSA-N 1 1 264.329 1.827 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@H+](C)C1 ZINC000413432001 391214222 /nfs/dbraw/zinc/21/42/22/391214222.db2.gz BQUHKWLTTOLRBB-GFCCVEGCSA-N 1 1 278.356 1.864 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169994 130386739 /nfs/dbraw/zinc/38/67/39/130386739.db2.gz UBCXOFDBXIBBHO-NSHDSACASA-N 1 1 297.380 1.584 20 5 CDBDMO C[C@@H](C1CCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000357038382 391935735 /nfs/dbraw/zinc/93/57/35/391935735.db2.gz NDPFKKTVKJYOEG-NSHDSACASA-N 1 1 279.340 1.877 20 5 CDBDMO CN1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000495724293 391914906 /nfs/dbraw/zinc/91/49/06/391914906.db2.gz BCPFTHGMVFYWRL-ZDUSSCGKSA-N 1 1 293.323 1.520 20 5 CDBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000267069858 391926100 /nfs/dbraw/zinc/92/61/00/391926100.db2.gz KPQDLXFTDFZRSG-QWRGUYRKSA-N 1 1 252.318 1.912 20 5 CDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)C2CCOCC2)c1 ZINC000438348964 392007311 /nfs/dbraw/zinc/00/73/11/392007311.db2.gz ZTFXHBVKHFBTRL-UHFFFAOYSA-N 1 1 280.324 1.568 20 5 CDBDMO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccccc1[N+](=O)[O-] ZINC000442784200 392494684 /nfs/dbraw/zinc/49/46/84/392494684.db2.gz ROLDJPPJWCFCRV-RYUDHWBXSA-N 1 1 279.340 1.643 20 5 CDBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444755037 392653596 /nfs/dbraw/zinc/65/35/96/392653596.db2.gz WJAMFSODTBSXTF-OCCSQVGLSA-N 1 1 296.371 1.520 20 5 CDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522927607 392882388 /nfs/dbraw/zinc/88/23/88/392882388.db2.gz LZMWBOMEFQUZJC-SNVBAGLBSA-N 1 1 295.343 1.086 20 5 CDBDMO CC(=O)N[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420993523 392923893 /nfs/dbraw/zinc/92/38/93/392923893.db2.gz ZGYGCLTULIVXAT-LBPRGKRZSA-N 1 1 293.323 1.184 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCC1 ZINC000423316985 392961027 /nfs/dbraw/zinc/96/10/27/392961027.db2.gz BABJITAETBYILR-NSHDSACASA-N 1 1 263.341 1.997 20 5 CDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCC1 ZINC000423316985 392961035 /nfs/dbraw/zinc/96/10/35/392961035.db2.gz BABJITAETBYILR-NSHDSACASA-N 1 1 263.341 1.997 20 5 CDBDMO Cc1[nH]nc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000424084235 392968234 /nfs/dbraw/zinc/96/82/34/392968234.db2.gz YPPYBUKFTDOABF-WEDXCCLWSA-N 1 1 295.343 1.072 20 5 CDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000430199669 393090416 /nfs/dbraw/zinc/09/04/16/393090416.db2.gz DDLUOEUAJGZLOY-ZLKJLUDKSA-N 1 1 292.335 1.806 20 5 CDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255442 393095440 /nfs/dbraw/zinc/09/54/40/393095440.db2.gz FGOWKRUXIUEWCM-HNNXBMFYSA-N 1 1 291.351 1.861 20 5 CDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068338411 393044780 /nfs/dbraw/zinc/04/47/80/393044780.db2.gz WDEXWQFXPKMWKF-LBPRGKRZSA-N 1 1 293.367 1.984 20 5 CDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080416 393066095 /nfs/dbraw/zinc/06/60/95/393066095.db2.gz WRBGGPFLCBLPQM-SKDRFNHKSA-N 1 1 292.339 1.146 20 5 CDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000226774520 140180933 /nfs/dbraw/zinc/18/09/33/140180933.db2.gz CLCMCCQDIYMERV-BDAKNGLRSA-N 1 1 284.341 1.326 20 5 CDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000252667018 140322392 /nfs/dbraw/zinc/32/23/92/140322392.db2.gz FNFYPADALJCYQX-NWDGAFQWSA-N 1 1 278.312 1.265 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000450794387 292289233 /nfs/dbraw/zinc/28/92/33/292289233.db2.gz MZCVHZITOIOJQH-BETUJISGSA-N 1 1 293.367 1.795 20 5 CDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000375349785 160371542 /nfs/dbraw/zinc/37/15/42/160371542.db2.gz PNLUCERHWHNKMZ-RYUDHWBXSA-N 1 1 280.328 1.435 20 5 CDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000353750719 156059683 /nfs/dbraw/zinc/05/96/83/156059683.db2.gz YOUTVMGSAKIYIH-OAHLLOKOSA-N 1 1 289.335 1.697 20 5 CDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354019833 156228196 /nfs/dbraw/zinc/22/81/96/156228196.db2.gz KURZTGNZNGLESU-UHFFFAOYSA-N 1 1 265.313 1.585 20 5 CDBDMO CC[N@@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000359291548 158201344 /nfs/dbraw/zinc/20/13/44/158201344.db2.gz DWIVLKROSHXOMY-UHFFFAOYSA-N 1 1 293.367 1.984 20 5 CDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000285488739 196301706 /nfs/dbraw/zinc/30/17/06/196301706.db2.gz LXMMRSDNZDSMBO-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000285488739 196301707 /nfs/dbraw/zinc/30/17/07/196301707.db2.gz LXMMRSDNZDSMBO-UHFFFAOYSA-N 1 1 254.261 1.691 20 5 CDBDMO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704345 196372800 /nfs/dbraw/zinc/37/28/00/196372800.db2.gz ONGLHRQNXURQHK-GXFFZTMASA-N 1 1 268.313 1.595 20 5 CDBDMO Cc1nn(C)c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000040623902 174355994 /nfs/dbraw/zinc/35/59/94/174355994.db2.gz FJGPSHUNLJUMQN-NSHDSACASA-N 1 1 281.360 1.779 20 5 CDBDMO CN(CC[N@@H+](C)C1CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000274461878 263024595 /nfs/dbraw/zinc/02/45/95/263024595.db2.gz KRBYWYVWBMRTPW-UHFFFAOYSA-N 1 1 295.368 1.834 20 5 CDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362142174 274724280 /nfs/dbraw/zinc/72/42/80/274724280.db2.gz NLWXIZJKEDQGID-GFCCVEGCSA-N 1 1 292.339 1.209 20 5 CDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000295339742 278564945 /nfs/dbraw/zinc/56/49/45/278564945.db2.gz YCHSZDWJHLCOGG-ZDUSSCGKSA-N 1 1 299.277 1.508 20 5 CDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000194724550 280051393 /nfs/dbraw/zinc/05/13/93/280051393.db2.gz DJMSAPBSHXAKEW-LLVKDONJSA-N 1 1 293.323 1.427 20 5 CDBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999651 281064580 /nfs/dbraw/zinc/06/45/80/281064580.db2.gz OUDRTHXSDVCNKI-AWEZNQCLSA-N 1 1 276.340 1.912 20 5 CDBDMO CNc1ccc(-c2nc(C[NH2+]C)no2)cc1[N+](=O)[O-] ZINC000577828389 317411143 /nfs/dbraw/zinc/41/11/43/317411143.db2.gz WNYGSUQLEPWUBZ-UHFFFAOYSA-N 1 1 263.257 1.406 20 5 CDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000184372422 521071980 /nfs/dbraw/zinc/07/19/80/521071980.db2.gz XXLIJEFUKXOGKR-UHFFFAOYSA-N 1 1 292.339 1.391 20 5 CDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699694 521638036 /nfs/dbraw/zinc/63/80/36/521638036.db2.gz BBNKADZFAACLGJ-LLVKDONJSA-N 1 1 292.339 1.391 20 5 CDBDMO Cc1ccc(CNC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581158 /nfs/dbraw/zinc/58/11/58/524581158.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 1 1 292.383 1.239 20 5 CDBDMO Cc1ccc(CNC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581164 /nfs/dbraw/zinc/58/11/64/524581164.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 1 1 292.383 1.239 20 5 CDBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)NC1CC1 ZINC000036782354 526881870 /nfs/dbraw/zinc/88/18/70/526881870.db2.gz QGGKWXHVVZKWTM-UHFFFAOYSA-N 1 1 283.715 1.616 20 5 CDBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000304294746 528921785 /nfs/dbraw/zinc/92/17/85/528921785.db2.gz FDOISTBSXJHNHZ-ZDUSSCGKSA-N 1 1 282.344 1.415 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748350947 576907892 /nfs/dbraw/zinc/90/78/92/576907892.db2.gz SYLFQTVVIXECAI-LLVKDONJSA-N 1 1 291.351 1.933 20 5 CDBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748350947 576907893 /nfs/dbraw/zinc/90/78/93/576907893.db2.gz SYLFQTVVIXECAI-LLVKDONJSA-N 1 1 291.351 1.933 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000892066599 617457930 /nfs/dbraw/zinc/45/79/30/617457930.db2.gz WXDYWOGHPJZITD-SECBINFHSA-N 1 1 284.312 1.512 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000892066599 617457932 /nfs/dbraw/zinc/45/79/32/617457932.db2.gz WXDYWOGHPJZITD-SECBINFHSA-N 1 1 284.312 1.512 20 5 CDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+](C)Cc1ccccc1 ZINC000891964080 617896688 /nfs/dbraw/zinc/89/66/88/617896688.db2.gz QEVZCMPKDYRKAO-UHFFFAOYSA-N 1 1 289.339 1.872 20 5 CDBDMO COc1c(O)ccc(C[N@H+](C)C2CC(O)C2)c1[N+](=O)[O-] ZINC000893573496 618146708 /nfs/dbraw/zinc/14/67/08/618146708.db2.gz ZRBGRLFGQNTCOB-UHFFFAOYSA-N 1 1 282.296 1.264 20 5 CDBDMO COc1c(O)ccc(C[N@@H+](C)C2CC(O)C2)c1[N+](=O)[O-] ZINC000893573496 618146717 /nfs/dbraw/zinc/14/67/17/618146717.db2.gz ZRBGRLFGQNTCOB-UHFFFAOYSA-N 1 1 282.296 1.264 20 5 CDBDMO C[N@H+]1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934235 618192552 /nfs/dbraw/zinc/19/25/52/618192552.db2.gz GGYZTUAISVYMBH-NOZJJQNGSA-N 1 1 265.288 1.874 20 5 CDBDMO CC1=NO[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000895310791 619540264 /nfs/dbraw/zinc/54/02/64/619540264.db2.gz JGNRYYSEQJHVCD-SECBINFHSA-N 1 1 255.299 1.911 20 5 CDBDMO C[N@@H+](Cc1cn(CC(C)(C)[N+](=O)[O-])nn1)C(C)(C)C ZINC000905058002 626607693 /nfs/dbraw/zinc/60/76/93/626607693.db2.gz BSNHXXCETLLJRY-UHFFFAOYSA-N 1 1 269.349 1.564 20 5 CDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000910287420 628963545 /nfs/dbraw/zinc/96/35/45/628963545.db2.gz GUPBPFYZSXHMEI-SNVBAGLBSA-N 1 1 280.328 1.479 20 5 CDBDMO COc1ccc(C[C@@H](C)[NH2+]C2(CN)CC2)c([N+](=O)[O-])c1 ZINC001170327479 1162337690 /nfs/dbraw/zinc/33/76/90/1162337690.db2.gz SBYVBUVRBNDSCV-SNVBAGLBSA-N 1 1 279.340 1.615 20 5 CDBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[N+](=O)[O-] ZINC000791055788 1162187563 /nfs/dbraw/zinc/18/75/63/1162187563.db2.gz XVXXIOOQHHCTLD-SECBINFHSA-N 1 1 261.322 1.108 20 5 CDBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[N+](=O)[O-] ZINC000791055788 1162187567 /nfs/dbraw/zinc/18/75/67/1162187567.db2.gz XVXXIOOQHHCTLD-SECBINFHSA-N 1 1 261.322 1.108 20 5 CDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000794711368 1164575699 /nfs/dbraw/zinc/57/56/99/1164575699.db2.gz MFINTGNBQDLMCK-ZWNOBZJWSA-N 1 1 268.313 1.331 20 5 CDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4C[C@]4(CO)C3)c2c1 ZINC000865712184 1164684276 /nfs/dbraw/zinc/68/42/76/1164684276.db2.gz UHLYFNAGCHYFLY-ZUZCIYMTSA-N 1 1 285.303 1.962 20 5 CDBDMO CCCN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927854 1164883836 /nfs/dbraw/zinc/88/38/36/1164883836.db2.gz PZGVWKJTNQXJEA-ZDUSSCGKSA-N 1 1 265.313 1.637 20 5 CDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000876522718 1165861890 /nfs/dbraw/zinc/86/18/90/1165861890.db2.gz AAHOOPIIFDEILW-NSHDSACASA-N 1 1 277.324 1.519 20 5 CDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(N)cn1 ZINC001578481198 1171930094 /nfs/dbraw/zinc/93/00/94/1171930094.db2.gz SMNBRUYFCKYOGH-UHFFFAOYSA-N 1 1 287.323 1.642 20 5 CDBDMO CN1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635023 1178226746 /nfs/dbraw/zinc/22/67/46/1178226746.db2.gz SAAKDNZKOGAHKQ-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635023 1178226751 /nfs/dbraw/zinc/22/67/51/1178226751.db2.gz SAAKDNZKOGAHKQ-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO C[N@H+]1CCC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158635023 1178226755 /nfs/dbraw/zinc/22/67/55/1178226755.db2.gz SAAKDNZKOGAHKQ-DOMZBBRYSA-N 1 1 293.367 1.560 20 5 CDBDMO