smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCOCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC000600954211 362099398 /nfs/dbraw/zinc/09/93/98/362099398.db2.gz SGXSFFKTDNMLPW-UHFFFAOYSA-N 1 0 268.317 0.970 10 5 CCBERO Cc1nn(C)c(N(C)CCOCC[NH3+])c1[N+](=O)[O-] ZINC000600955554 362099485 /nfs/dbraw/zinc/09/94/85/362099485.db2.gz BRWKTQMZCFXZIE-UHFFFAOYSA-N 1 0 257.294 0.048 10 5 CCBERO C[NH2+][C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054076074 348541678 /nfs/dbraw/zinc/54/16/78/348541678.db2.gz LHJDSLUBSHPLSB-SECBINFHSA-N 1 0 251.286 0.861 10 5 CCBERO CC[C@@H](O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248389 351164734 /nfs/dbraw/zinc/16/47/34/351164734.db2.gz VVRKHYSFHNMYFA-GFCCVEGCSA-N 1 0 297.359 0.180 10 5 CCBERO COC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231857106 352137340 /nfs/dbraw/zinc/13/73/40/352137340.db2.gz VHPQFKXJUZJEDB-SNVBAGLBSA-N 1 0 267.285 0.493 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000246801736 352384365 /nfs/dbraw/zinc/38/43/65/352384365.db2.gz BVCQHPNHVUFOKV-QWRGUYRKSA-N 1 0 293.327 0.486 10 5 CCBERO O=[N+]([O-])c1cnn(CCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248334499 352434918 /nfs/dbraw/zinc/43/49/18/352434918.db2.gz GDTCBLBZQRNVDC-LBPRGKRZSA-N 1 0 279.344 0.961 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557318897 291030637 /nfs/dbraw/zinc/03/06/37/291030637.db2.gz ANBHTCJIWKKUTB-GFCCVEGCSA-N 1 0 265.317 0.908 10 5 CCBERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592320374 359818217 /nfs/dbraw/zinc/81/82/17/359818217.db2.gz CVNPROYQIIJSMT-SSDOTTSWSA-N 1 0 266.257 0.035 10 5 CCBERO NC(=O)c1ccc(NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000596027720 360777805 /nfs/dbraw/zinc/77/78/05/360777805.db2.gz VFPCHBHGYVKTAD-UHFFFAOYSA-N 1 0 276.296 0.858 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095091955 184941129 /nfs/dbraw/zinc/94/11/29/184941129.db2.gz XRHKXAKSSFHSED-WNWIJWBNSA-N 1 0 255.299 0.849 10 5 CCBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000031946540 134761833 /nfs/dbraw/zinc/76/18/33/134761833.db2.gz YSRNMPQEWQHAFI-SNVBAGLBSA-N 1 0 293.327 0.281 10 5 CCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037029654 172895461 /nfs/dbraw/zinc/89/54/61/172895461.db2.gz XRYSUCRCUPDRMM-GXSJLCMTSA-N 1 0 265.269 0.565 10 5 CCBERO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000038079463 174089046 /nfs/dbraw/zinc/08/90/46/174089046.db2.gz IYVFFNAUUMEHJY-QMMMGPOBSA-N 1 0 253.258 0.437 10 5 CCBERO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423946567 534306350 /nfs/dbraw/zinc/30/63/50/534306350.db2.gz IPDPGICYOZDMPF-ZJUUUORDSA-N 1 0 279.296 0.779 10 5 CCBERO CCn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000054370777 523484936 /nfs/dbraw/zinc/48/49/36/523484936.db2.gz KBQWVDJDDSENFY-SECBINFHSA-N 1 0 266.301 0.850 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149006465 527370522 /nfs/dbraw/zinc/37/05/22/527370522.db2.gz GTMOPQYYQVURTF-UHFFFAOYSA-N 1 0 293.327 0.488 10 5 CCBERO O=[N+]([O-])c1ccccc1CC[NH2+]CCOCCO ZINC000062726589 527398952 /nfs/dbraw/zinc/39/89/52/527398952.db2.gz AOIJMGDHVGVBOD-UHFFFAOYSA-N 1 0 254.286 0.736 10 5 CCBERO COCC[NH2+]CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000215512285 616511305 /nfs/dbraw/zinc/51/13/05/616511305.db2.gz FYTHVZLXFSNFAN-UHFFFAOYSA-N 1 0 281.272 0.779 10 5 CCBERO CN1CCO[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158661297 631569612 /nfs/dbraw/zinc/56/96/12/631569612.db2.gz URCYXRHIXCEJCI-KGLIPLIRSA-N 1 0 295.339 0.548 10 5 CCBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000063180562 637205961 /nfs/dbraw/zinc/20/59/61/637205961.db2.gz YFVSMPLYSYCMLK-NSHDSACASA-N 1 0 292.339 0.886 10 5 CCBERO [NH3+]CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000035452735 648823177 /nfs/dbraw/zinc/82/31/77/648823177.db2.gz GHUUEGNRGTZNKR-UHFFFAOYSA-N 1 0 266.257 0.686 10 5 CCBERO C=C(C)C(=O)OCC[N+](C)(C)CCN1CCNC1=O ZINC000141982860 717152528 /nfs/dbraw/zinc/15/25/28/717152528.db2.gz AZRLIXQLCMDKGB-UHFFFAOYSA-O 1 0 270.353 0.207 10 5 CCBERO CCc1nn(C)c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000091741751 349474046 /nfs/dbraw/zinc/47/40/46/349474046.db2.gz CZLSDRFQWIRFPU-WDEREUQCSA-N 1 0 295.343 0.410 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)[C@H]1CCC[NH2+]C1 ZINC000095091877 349590235 /nfs/dbraw/zinc/59/02/35/349590235.db2.gz QCZNWFTWNFCLLN-QPFGOUBPSA-N 1 0 255.299 0.849 10 5 CCBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000602724231 362772398 /nfs/dbraw/zinc/77/23/98/362772398.db2.gz LQOORWYTXSOJDX-OLZOCXBDSA-N 1 0 266.297 0.877 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133002705 350321918 /nfs/dbraw/zinc/32/19/18/350321918.db2.gz ZSSOSWPGRBOJSU-KOLCDFICSA-N 1 0 266.301 0.851 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1COCC[NH2+]1 ZINC000234209987 352154893 /nfs/dbraw/zinc/15/48/93/352154893.db2.gz YOOYOCSQNZADOG-VIFPVBQESA-N 1 0 269.305 0.520 10 5 CCBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH3+] ZINC000235354390 352182687 /nfs/dbraw/zinc/18/26/87/352182687.db2.gz FZKXWYVSXGRUGR-SFYZADRCSA-N 1 0 252.274 0.353 10 5 CCBERO Nc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248700703 352454992 /nfs/dbraw/zinc/45/49/92/352454992.db2.gz ZNDKZDXRYLFOIV-GARJFASQSA-N 1 0 290.323 0.986 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000312667570 354209988 /nfs/dbraw/zinc/20/99/88/354209988.db2.gz IKRHBXUKJGSQJR-INTQDDNPSA-N 1 0 278.312 0.743 10 5 CCBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000423633484 235024104 /nfs/dbraw/zinc/02/41/04/235024104.db2.gz BHHFZLKXLUOWPR-ZJUUUORDSA-N 1 0 279.296 0.922 10 5 CCBERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592332228 359819590 /nfs/dbraw/zinc/81/95/90/359819590.db2.gz HJRWAYISOKMZMV-OIBJUYFYSA-N 1 0 280.284 0.566 10 5 CCBERO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H](C[NH3+])C(F)(F)F ZINC000596000756 360772448 /nfs/dbraw/zinc/77/24/48/360772448.db2.gz ONNBZGISIXNJJY-SSDOTTSWSA-N 1 0 295.221 0.139 10 5 CCBERO CNC(=O)c1ccc(N[C@@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000596031739 360779195 /nfs/dbraw/zinc/77/91/95/360779195.db2.gz FEUNTHNRBDYZKD-QMMMGPOBSA-N 1 0 266.301 0.974 10 5 CCBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000183110024 189346877 /nfs/dbraw/zinc/34/68/77/189346877.db2.gz RIECVEPOTHUZDV-UWVGGRQHSA-N 1 0 254.290 0.948 10 5 CCBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188320812 388924047 /nfs/dbraw/zinc/92/40/47/388924047.db2.gz CUDGVJRZLXNLEX-GXSJLCMTSA-N 1 0 267.260 0.911 10 5 CCBERO CCOc1cccc(NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420240620 389971360 /nfs/dbraw/zinc/97/13/60/389971360.db2.gz AEBJSTMOONLAGS-MWLCHTKSSA-N 1 0 281.312 0.986 10 5 CCBERO CNC(=O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079425 174089534 /nfs/dbraw/zinc/08/95/34/174089534.db2.gz JBKQGYRBPBRKJP-UHFFFAOYSA-N 1 0 253.258 0.309 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000285051865 290088198 /nfs/dbraw/zinc/08/81/98/290088198.db2.gz OGBPYLBLCLWLMC-NWDGAFQWSA-N 1 0 278.312 0.899 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284521270 303021020 /nfs/dbraw/zinc/02/10/20/303021020.db2.gz KCRLPRRRPFSKCZ-NXEZZACHSA-N 1 0 281.316 0.238 10 5 CCBERO C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000381355602 336060283 /nfs/dbraw/zinc/06/02/83/336060283.db2.gz FUZFKGPPKXSINY-SKDRFNHKSA-N 1 0 279.296 0.588 10 5 CCBERO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062541059 522461341 /nfs/dbraw/zinc/46/13/41/522461341.db2.gz UHNBGYYEXGEGNL-SNVBAGLBSA-N 1 0 253.258 0.437 10 5 CCBERO O=C1Cc2cc([N+](=O)[O-])c(O[C@@H]3CC[NH2+]C3)cc2N1 ZINC000051868268 527036610 /nfs/dbraw/zinc/03/66/10/527036610.db2.gz UWZXYZGOUCOOQV-MRVPVSSYSA-N 1 0 263.253 0.830 10 5 CCBERO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262243751 536165321 /nfs/dbraw/zinc/16/53/21/536165321.db2.gz LCKWAPMVTWMVCR-WCQYABFASA-N 1 0 293.323 0.467 10 5 CCBERO CN1CCO[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158661447 622753069 /nfs/dbraw/zinc/75/30/69/622753069.db2.gz URCYXRHIXCEJCI-KBPBESRZSA-N 1 0 295.339 0.548 10 5 CCBERO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000178647994 622803236 /nfs/dbraw/zinc/80/32/36/622803236.db2.gz LRTDHVAUGICRQK-SSDOTTSWSA-N 1 0 282.256 0.970 10 5 CCBERO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000054374984 632718807 /nfs/dbraw/zinc/71/88/07/632718807.db2.gz AUKFSIVPTFGXCE-SSDOTTSWSA-N 1 0 263.257 0.929 10 5 CCBERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063174787 637204598 /nfs/dbraw/zinc/20/45/98/637204598.db2.gz MQYIAMOZOMQLTI-MNOVXSKESA-N 1 0 285.325 0.753 10 5 CCBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000134757913 647747932 /nfs/dbraw/zinc/74/79/32/647747932.db2.gz GKMXZHUJVWEQPZ-LDUAJXOISA-N 1 0 266.297 0.989 10 5 CCBERO COC(=O)c1ccccc1OCC[N+]12CCN(CC1)CC2 ZINC000180714128 717157892 /nfs/dbraw/zinc/15/78/92/717157892.db2.gz QOGLMSWLTGKNRN-UHFFFAOYSA-N 1 0 291.371 0.998 10 5 CCBERO COCC[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000095082307 349589005 /nfs/dbraw/zinc/58/90/05/349589005.db2.gz NGQCZIRTVKVCMX-NSHDSACASA-N 1 0 270.285 0.571 10 5 CCBERO COCC[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095082299 349589089 /nfs/dbraw/zinc/58/90/89/349589089.db2.gz ZXJFRBYTLUKFRY-UHFFFAOYSA-N 1 0 253.258 0.769 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)C[C@@H]1CC[NH2+]C1 ZINC000095091893 349589784 /nfs/dbraw/zinc/58/97/84/349589784.db2.gz HMGIXFIINKKDTL-RBHXEPJQSA-N 1 0 255.299 0.707 10 5 CCBERO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000111302798 349770163 /nfs/dbraw/zinc/77/01/63/349770163.db2.gz IPWOTGUFCNGDSX-ZETCQYMHSA-N 1 0 288.329 0.262 10 5 CCBERO Cc1nn(C)c(N2C[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962140 362101936 /nfs/dbraw/zinc/10/19/36/362101936.db2.gz ZAJDSKUOSOSCEA-IONNQARKSA-N 1 0 253.306 0.668 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262235103 137032323 /nfs/dbraw/zinc/03/23/23/137032323.db2.gz KLVQHGHKRIXOCC-HQJQHLMTSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1NCC(=O)N1CC[NH2+]CC1 ZINC000037716289 348198957 /nfs/dbraw/zinc/19/89/57/348198957.db2.gz ZVGVVJZAXPCUNF-UHFFFAOYSA-N 1 0 278.312 0.747 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133672696 350341675 /nfs/dbraw/zinc/34/16/75/350341675.db2.gz OVYJTSVTARJCEA-MRVPVSSYSA-N 1 0 252.274 0.273 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195334274 351910317 /nfs/dbraw/zinc/91/03/17/351910317.db2.gz WVLCMGAKOPXYAS-SNVBAGLBSA-N 1 0 279.300 0.098 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000246801719 352384337 /nfs/dbraw/zinc/38/43/37/352384337.db2.gz BVCQHPNHVUFOKV-MNOVXSKESA-N 1 0 293.327 0.486 10 5 CCBERO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423945843 235126011 /nfs/dbraw/zinc/12/60/11/235126011.db2.gz IGMKPVYJNJZRKN-JOYOIKCWSA-N 1 0 279.296 0.779 10 5 CCBERO C[C@@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000381670764 357710348 /nfs/dbraw/zinc/71/03/48/357710348.db2.gz BXELWGVIRBDLBP-RITPCOANSA-N 1 0 253.262 0.236 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404052916 357814645 /nfs/dbraw/zinc/81/46/45/357814645.db2.gz FUKGOLNGZAONDO-MNOVXSKESA-N 1 0 280.284 0.126 10 5 CCBERO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000408020118 357870438 /nfs/dbraw/zinc/87/04/38/357870438.db2.gz CJQNYOYRFXWWAD-VIFPVBQESA-N 1 0 281.316 0.413 10 5 CCBERO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179171928 189174433 /nfs/dbraw/zinc/17/44/33/189174433.db2.gz VVJATWHTZMZOHH-VXGBXAGGSA-N 1 0 252.270 0.522 10 5 CCBERO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179169908 189174508 /nfs/dbraw/zinc/17/45/08/189174508.db2.gz WCGIMIKQLRVZRF-GHMZBOCLSA-N 1 0 252.270 0.522 10 5 CCBERO Cc1c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000179175430 189175110 /nfs/dbraw/zinc/17/51/10/189175110.db2.gz HGZAKFMISLARBX-VXGBXAGGSA-N 1 0 266.297 0.831 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000095091866 285167438 /nfs/dbraw/zinc/16/74/38/285167438.db2.gz MWPPNWJFBWGCII-MRVPVSSYSA-N 1 0 286.313 0.020 10 5 CCBERO C[C@H]1C[N@H+](C)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000408431736 389350751 /nfs/dbraw/zinc/35/07/51/389350751.db2.gz BGJTZJFICXHGLM-VIFPVBQESA-N 1 0 276.300 0.778 10 5 CCBERO CC[C@@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174867326 389531486 /nfs/dbraw/zinc/53/14/86/389531486.db2.gz WZUKZSZXBBUOFS-CYBMUJFWSA-N 1 0 297.359 0.180 10 5 CCBERO Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420241347 389971413 /nfs/dbraw/zinc/97/14/13/389971413.db2.gz AVLLTBKMGRSPJY-CABZTGNLSA-N 1 0 251.286 0.895 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])[C@@H](F)C1 ZINC000584645360 411833141 /nfs/dbraw/zinc/83/31/41/411833141.db2.gz ITODKGMPWUTPFP-YUMQZZPRSA-N 1 0 257.269 0.594 10 5 CCBERO C[C@H](COc1ccc([N+](=O)[O-])cc1C[NH3+])C(N)=O ZINC000035414507 172188017 /nfs/dbraw/zinc/18/80/17/172188017.db2.gz VHZOJHLMUFQNKA-SSDOTTSWSA-N 1 0 253.258 0.554 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1NCCCN1CC[NH2+]CC1 ZINC000035663877 172342714 /nfs/dbraw/zinc/34/27/14/172342714.db2.gz QCKLGOZFEVKTIQ-UHFFFAOYSA-N 1 0 268.321 0.036 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569979 196330792 /nfs/dbraw/zinc/33/07/92/196330792.db2.gz SKWXZAPWERFXBG-RKDXNWHRSA-N 1 0 279.300 0.627 10 5 CCBERO [NH3+]CCc1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000072236563 176345621 /nfs/dbraw/zinc/34/56/21/176345621.db2.gz XQEJUGVELRPZGG-UHFFFAOYSA-N 1 0 263.257 0.793 10 5 CCBERO CC[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1OC ZINC000050505051 519973574 /nfs/dbraw/zinc/97/35/74/519973574.db2.gz YDJNOGFFGRDJOB-JTQLQIEISA-N 1 0 270.285 0.953 10 5 CCBERO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000062541057 522349672 /nfs/dbraw/zinc/34/96/72/522349672.db2.gz UHNBGYYEXGEGNL-JTQLQIEISA-N 1 0 253.258 0.437 10 5 CCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@]12C[C@H]1[NH2+]CCC2 ZINC000757067514 581692023 /nfs/dbraw/zinc/69/20/23/581692023.db2.gz XBXRMDMRLHDNLJ-VXGBXAGGSA-N 1 0 297.336 0.768 10 5 CCBERO O=C1COc2cc([N+](=O)[O-])c(N[C@H]3CC[NH2+]C3)cc2N1 ZINC000052093757 631556813 /nfs/dbraw/zinc/55/68/13/631556813.db2.gz OYUZPHNSGFPIID-ZETCQYMHSA-N 1 0 278.268 0.700 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000226622153 636990511 /nfs/dbraw/zinc/99/05/11/636990511.db2.gz ODDJWHLISJQSAL-LBPRGKRZSA-N 1 0 250.302 0.674 10 5 CCBERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063174779 637204444 /nfs/dbraw/zinc/20/44/44/637204444.db2.gz CMUXYGLKZHRJGV-RKDXNWHRSA-N 1 0 285.325 0.753 10 5 CCBERO CS(=O)(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289363 349435756 /nfs/dbraw/zinc/43/57/56/349435756.db2.gz LMASIUOFPLSPNC-UHFFFAOYSA-N 1 0 271.298 0.382 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)C[C@H]1CCC[NH2+]1 ZINC000095091887 349590229 /nfs/dbraw/zinc/59/02/29/349590229.db2.gz QMHURKRUCVCCCZ-RBHXEPJQSA-N 1 0 255.299 0.849 10 5 CCBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262415984 137042805 /nfs/dbraw/zinc/04/28/05/137042805.db2.gz ZPZDRRBUMOCPGB-BXKDBHETSA-N 1 0 279.296 0.213 10 5 CCBERO CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000261791936 137020504 /nfs/dbraw/zinc/02/05/04/137020504.db2.gz VBZSSYRGTBJLLT-JTQLQIEISA-N 1 0 267.333 0.851 10 5 CCBERO CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000262179173 137029760 /nfs/dbraw/zinc/02/97/60/137029760.db2.gz ZADUBJHPQSKBRU-VIFPVBQESA-N 1 0 281.316 0.377 10 5 CCBERO Cn1c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)ccc1[N+](=O)[O-] ZINC000263312066 137063914 /nfs/dbraw/zinc/06/39/14/137063914.db2.gz YWFSPLYACZEEAB-VIFPVBQESA-N 1 0 292.299 0.559 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000263217486 137060295 /nfs/dbraw/zinc/06/02/95/137060295.db2.gz LDADWCNNPUCAIJ-CABZTGNLSA-N 1 0 285.731 0.918 10 5 CCBERO CC(C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000040776785 348241565 /nfs/dbraw/zinc/24/15/65/348241565.db2.gz XDFMLHJAPYWCKT-ZYHUDNBSSA-N 1 0 286.332 0.149 10 5 CCBERO [NH3+]CCc1nnc(COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000072236558 348916908 /nfs/dbraw/zinc/91/69/08/348916908.db2.gz JAAYMRGUDPAZLK-UHFFFAOYSA-N 1 0 263.257 0.793 10 5 CCBERO Cc1nc(N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124162421 350090560 /nfs/dbraw/zinc/09/05/60/350090560.db2.gz WZHAYFZOZJBRBG-JTQLQIEISA-N 1 0 265.317 0.377 10 5 CCBERO Cc1cccc(NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000235931570 352190199 /nfs/dbraw/zinc/19/01/99/352190199.db2.gz OPEPLTOAFRBVLA-UHFFFAOYSA-N 1 0 278.312 0.747 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245913241 352341959 /nfs/dbraw/zinc/34/19/59/352341959.db2.gz VTGTZYFDDHVPCR-BDAKNGLRSA-N 1 0 279.300 0.627 10 5 CCBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000310822611 354192448 /nfs/dbraw/zinc/19/24/48/354192448.db2.gz XJEUPSMBQLJGBL-IONNQARKSA-N 1 0 252.274 0.495 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000312667574 354210089 /nfs/dbraw/zinc/21/00/89/354210089.db2.gz IKRHBXUKJGSQJR-JMJZKYOTSA-N 1 0 278.312 0.743 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000592180246 359777538 /nfs/dbraw/zinc/77/75/38/359777538.db2.gz CCFUWVLWKKLHLM-WKSBVSIWSA-N 1 0 280.328 0.930 10 5 CCBERO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179171940 189174229 /nfs/dbraw/zinc/17/42/29/189174229.db2.gz VVJATWHTZMZOHH-NEPJUHHUSA-N 1 0 252.270 0.522 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000408144348 389828765 /nfs/dbraw/zinc/82/87/65/389828765.db2.gz JKNALNDYDJLERM-ONGXEEELSA-N 1 0 293.327 0.495 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC2[C@H]3C[NH2+]C[C@@H]23)cc1 ZINC000036265373 172559903 /nfs/dbraw/zinc/55/99/03/172559903.db2.gz JKDQYOSYJNMENX-ZACCUICWSA-N 1 0 283.309 0.091 10 5 CCBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C(N)=O)c1 ZINC000050516818 522124493 /nfs/dbraw/zinc/12/44/93/522124493.db2.gz LQIXOUNBCZWXQK-ZETCQYMHSA-N 1 0 253.258 0.567 10 5 CCBERO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCO ZINC000062732105 523950533 /nfs/dbraw/zinc/95/05/33/523950533.db2.gz HZQKEIKVIZCOAZ-UHFFFAOYSA-N 1 0 270.285 0.702 10 5 CCBERO C[C@H](C[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000111302831 349770440 /nfs/dbraw/zinc/77/04/40/349770440.db2.gz PKFOOPWXMUBDKF-ZCFIWIBFSA-N 1 0 274.302 0.001 10 5 CCBERO C[NH2+]CCOCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000600953674 362098357 /nfs/dbraw/zinc/09/83/57/362098357.db2.gz AHYHSLQWZRTTAE-UHFFFAOYSA-N 1 0 268.317 0.970 10 5 CCBERO O=C(NCC1(O)C[NH2+]C1)Nc1cccc([N+](=O)[O-])c1 ZINC000261566355 137008818 /nfs/dbraw/zinc/00/88/18/137008818.db2.gz GUCXRGZZBDWXFU-UHFFFAOYSA-N 1 0 266.257 0.051 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262210783 137031029 /nfs/dbraw/zinc/03/10/29/137031029.db2.gz IUEIMVHRICKDRI-XCBNKYQSSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263237900 137061186 /nfs/dbraw/zinc/06/11/86/137061186.db2.gz OHDSYWQBHHPEBV-SKDRFNHKSA-N 1 0 285.731 0.918 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000263238901 137061279 /nfs/dbraw/zinc/06/12/79/137061279.db2.gz OILLAGNWEMRNGG-BXKDBHETSA-N 1 0 285.731 0.918 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740796 348241146 /nfs/dbraw/zinc/24/11/46/348241146.db2.gz NYIYUULGZPNUNR-ULKQDVFKSA-N 1 0 278.312 0.946 10 5 CCBERO CCc1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000171805715 350935803 /nfs/dbraw/zinc/93/58/03/350935803.db2.gz ZIEMPGGRAKRWBP-SECBINFHSA-N 1 0 293.327 0.801 10 5 CCBERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000227567750 352054182 /nfs/dbraw/zinc/05/41/82/352054182.db2.gz QKEARVYDRWWUAW-JTQLQIEISA-N 1 0 293.323 0.898 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247000162 352392663 /nfs/dbraw/zinc/39/26/63/352392663.db2.gz FMLYASRXWMDUHM-MNOVXSKESA-N 1 0 293.327 0.486 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157954067 188348706 /nfs/dbraw/zinc/34/87/06/188348706.db2.gz VTGTZYFDDHVPCR-RKDXNWHRSA-N 1 0 279.300 0.627 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000359563316 356844952 /nfs/dbraw/zinc/84/49/52/356844952.db2.gz ZJBKEUZEBVBLIN-MNOVXSKESA-N 1 0 295.343 0.639 10 5 CCBERO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(F)(F)F ZINC000401758787 357804947 /nfs/dbraw/zinc/80/49/47/357804947.db2.gz ASULYYDJPLUUDL-LURJTMIESA-N 1 0 266.179 0.542 10 5 CCBERO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404233142 357819009 /nfs/dbraw/zinc/81/90/09/357819009.db2.gz RQUYBKKYUPXMSG-ZJUUUORDSA-N 1 0 297.336 0.859 10 5 CCBERO Cc1ccc(NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000037716319 388847411 /nfs/dbraw/zinc/84/74/11/388847411.db2.gz RSJZXJWMPKBIJU-UHFFFAOYSA-N 1 0 278.312 0.747 10 5 CCBERO O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368483948 144227780 /nfs/dbraw/zinc/22/77/80/144227780.db2.gz QLXAHLCBKLHXDG-BDAKNGLRSA-N 1 0 283.309 0.469 10 5 CCBERO C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000032049744 171691922 /nfs/dbraw/zinc/69/19/22/171691922.db2.gz RYNQBCNIRZYXAW-JTQLQIEISA-N 1 0 279.296 0.794 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1N1C[C@@H]([NH3+])CC1=O ZINC000035679524 172350647 /nfs/dbraw/zinc/35/06/47/172350647.db2.gz FBASRXSGNQSSML-ZETCQYMHSA-N 1 0 251.242 0.667 10 5 CCBERO CC[C@@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074534451 176579888 /nfs/dbraw/zinc/57/98/88/176579888.db2.gz YGNMEGUNDSAMAM-JTQLQIEISA-N 1 0 251.286 0.991 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC000301685136 277132325 /nfs/dbraw/zinc/13/23/25/277132325.db2.gz WPQITLZHACXUPY-MNOVXSKESA-N 1 0 264.285 0.509 10 5 CCBERO [NH3+]C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000313351180 303430327 /nfs/dbraw/zinc/43/03/27/303430327.db2.gz NBQROCHZXDLMTE-QMMMGPOBSA-N 1 0 297.340 0.858 10 5 CCBERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCC(N)=O)c1 ZINC000050516922 520001985 /nfs/dbraw/zinc/00/19/85/520001985.db2.gz SLPFCPWWAADTTQ-UHFFFAOYSA-N 1 0 267.285 0.959 10 5 CCBERO Cc1cc(C)c(OCC[C@@H]([NH3+])C(N)=O)c([N+](=O)[O-])c1 ZINC000062595594 524310936 /nfs/dbraw/zinc/31/09/36/524310936.db2.gz PWJZLDQMEQKGBF-SECBINFHSA-N 1 0 267.285 0.793 10 5 CCBERO CC1(C)C[NH2+][C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000757070079 581939637 /nfs/dbraw/zinc/93/96/37/581939637.db2.gz NZLXDISMRQNPAF-LLVKDONJSA-N 1 0 299.352 0.871 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226627471 636993307 /nfs/dbraw/zinc/99/33/07/636993307.db2.gz JKSWDDPEHAXWSV-JTQLQIEISA-N 1 0 295.299 0.582 10 5 CCBERO C[C@H]([NH3+])CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000111302652 644105087 /nfs/dbraw/zinc/10/50/87/644105087.db2.gz KALAUUZFECJGOA-LURJTMIESA-N 1 0 266.257 0.685 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095091958 349589876 /nfs/dbraw/zinc/58/98/76/349589876.db2.gz XRHKXAKSSFHSED-RBHXEPJQSA-N 1 0 255.299 0.849 10 5 CCBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C[NH3+] ZINC000600966417 362104441 /nfs/dbraw/zinc/10/44/41/362104441.db2.gz NZGSUKPFGYUSNC-BDAKNGLRSA-N 1 0 266.301 0.600 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262397190 137041882 /nfs/dbraw/zinc/04/18/82/137041882.db2.gz YKBHNGOLZVTMGS-BXKDBHETSA-N 1 0 279.296 0.213 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262226336 137031938 /nfs/dbraw/zinc/03/19/38/137031938.db2.gz JYTPMVBSAUUKMZ-HQJQHLMTSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085984947 349337950 /nfs/dbraw/zinc/33/79/50/349337950.db2.gz ZLWMNPQKBCSZOZ-UHTWSYAYSA-N 1 0 298.343 0.293 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089091307 349375149 /nfs/dbraw/zinc/37/51/49/349375149.db2.gz SHMYPJSYKXCVDH-PSASIEDQSA-N 1 0 266.301 0.791 10 5 CCBERO CCC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000159753497 350687448 /nfs/dbraw/zinc/68/74/48/350687448.db2.gz ZOZSXRWCORBHTG-LLVKDONJSA-N 1 0 283.332 0.638 10 5 CCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000176231023 351163199 /nfs/dbraw/zinc/16/31/99/351163199.db2.gz OEUDJONQMREMNG-LLVKDONJSA-N 1 0 291.315 0.720 10 5 CCBERO CC(=O)NC1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000191728338 351770719 /nfs/dbraw/zinc/77/07/19/351770719.db2.gz NAVGLYBAQNVUKD-CYBMUJFWSA-N 1 0 279.296 0.449 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420244428 234569739 /nfs/dbraw/zinc/56/97/39/234569739.db2.gz PZVKCDMTYKBWDS-MWLCHTKSSA-N 1 0 251.286 0.895 10 5 CCBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423687438 235036961 /nfs/dbraw/zinc/03/69/61/235036961.db2.gz WMIMUAYXXSVCQF-JOYOIKCWSA-N 1 0 279.296 0.922 10 5 CCBERO C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423945840 235125781 /nfs/dbraw/zinc/12/57/81/235125781.db2.gz IGMKPVYJNJZRKN-CABZTGNLSA-N 1 0 279.296 0.779 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420244425 389971953 /nfs/dbraw/zinc/97/19/53/389971953.db2.gz PZVKCDMTYKBWDS-GXSJLCMTSA-N 1 0 251.286 0.895 10 5 CCBERO O=C1[C@H]2C[NH2+]C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000072416639 176399968 /nfs/dbraw/zinc/39/99/68/176399968.db2.gz SJYOQALSCSJIOA-UWVGGRQHSA-N 1 0 261.237 0.304 10 5 CCBERO [NH3+]C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000165801857 279657251 /nfs/dbraw/zinc/65/72/51/279657251.db2.gz USIZMAQQJCQXQC-QMMMGPOBSA-N 1 0 255.249 0.898 10 5 CCBERO C[NH2+]CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054244477 522012518 /nfs/dbraw/zinc/01/25/18/522012518.db2.gz HBCDZOVZYGHTGX-UHFFFAOYSA-N 1 0 293.732 0.746 10 5 CCBERO NNc1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000052726209 527275621 /nfs/dbraw/zinc/27/56/21/527275621.db2.gz UNHYXXOXWLGJOM-UHFFFAOYSA-N 1 0 261.241 0.485 10 5 CCBERO C[NH2+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000063169397 637206614 /nfs/dbraw/zinc/20/66/14/637206614.db2.gz ZBAFIGQJBPAAGZ-VIFPVBQESA-N 1 0 251.290 0.963 10 5 CCBERO Cc1cccc(C)c1-n1nnnc1C[N+]12CCN(CC1)CC2 ZINC000060511408 717131924 /nfs/dbraw/zinc/13/19/24/717131924.db2.gz LFOYNWXLFBTTIF-UHFFFAOYSA-N 1 0 299.402 0.925 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)[C@@H]1CCC[NH2+]C1 ZINC000095091875 349589846 /nfs/dbraw/zinc/58/98/46/349589846.db2.gz QCZNWFTWNFCLLN-RBHXEPJQSA-N 1 0 255.299 0.849 10 5 CCBERO C[C@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000111302580 349770009 /nfs/dbraw/zinc/77/00/09/349770009.db2.gz OCFGJONILIHCQV-LURJTMIESA-N 1 0 274.302 0.001 10 5 CCBERO C[NH2+]CCOCCN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000600954024 362098973 /nfs/dbraw/zinc/09/89/73/362098973.db2.gz KPIRWKCQXUCIRZ-UHFFFAOYSA-N 1 0 271.321 0.309 10 5 CCBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127222082 187290006 /nfs/dbraw/zinc/29/00/06/187290006.db2.gz GCJKXAHXDXLFOU-VIFPVBQESA-N 1 0 281.316 0.874 10 5 CCBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262415991 137043026 /nfs/dbraw/zinc/04/30/26/137043026.db2.gz ZPZDRRBUMOCPGB-SKDRFNHKSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262415987 137043088 /nfs/dbraw/zinc/04/30/88/137043088.db2.gz ZPZDRRBUMOCPGB-CABZTGNLSA-N 1 0 279.296 0.213 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262210785 137031201 /nfs/dbraw/zinc/03/12/01/137031201.db2.gz IUEIMVHRICKDRI-XVKPBYJWSA-N 1 0 299.714 0.558 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262330261 137038229 /nfs/dbraw/zinc/03/82/29/137038229.db2.gz SDPCZLGGZDHSFC-LDYMZIIASA-N 1 0 299.714 0.558 10 5 CCBERO Cn1c(-c2nc([C@H]3C[NH2+]CCN3C)no2)ccc1[N+](=O)[O-] ZINC000263312065 137063838 /nfs/dbraw/zinc/06/38/38/137063838.db2.gz YWFSPLYACZEEAB-SECBINFHSA-N 1 0 292.299 0.559 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000263217488 137060316 /nfs/dbraw/zinc/06/03/16/137060316.db2.gz LDADWCNNPUCAIJ-SKDRFNHKSA-N 1 0 285.731 0.918 10 5 CCBERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000040776779 348241739 /nfs/dbraw/zinc/24/17/39/348241739.db2.gz XDFMLHJAPYWCKT-JQWIXIFHSA-N 1 0 286.332 0.149 10 5 CCBERO C[C@@H]([NH3+])CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063171759 348680430 /nfs/dbraw/zinc/68/04/30/348680430.db2.gz RMNVNALXJLDLSI-SSDOTTSWSA-N 1 0 252.274 0.843 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186557058 351504114 /nfs/dbraw/zinc/50/41/14/351504114.db2.gz FZMQVBPWAKBRSU-JTQLQIEISA-N 1 0 293.327 0.534 10 5 CCBERO CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000234333746 352156827 /nfs/dbraw/zinc/15/68/27/352156827.db2.gz OPVFYOKIWYXXCX-VIFPVBQESA-N 1 0 285.735 0.722 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404115223 357816096 /nfs/dbraw/zinc/81/60/96/357816096.db2.gz CBQXRNXKKVSQKN-RKDXNWHRSA-N 1 0 297.336 0.859 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408050526 357889476 /nfs/dbraw/zinc/88/94/76/357889476.db2.gz DRSIOPSXIDZIDA-MRVPVSSYSA-N 1 0 267.289 0.104 10 5 CCBERO CCOc1cccc(NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420240619 389971222 /nfs/dbraw/zinc/97/12/22/389971222.db2.gz AEBJSTMOONLAGS-KOLCDFICSA-N 1 0 281.312 0.986 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC000095091856 184941209 /nfs/dbraw/zinc/94/12/09/184941209.db2.gz HNTAPQBZWHHPGJ-MRVPVSSYSA-N 1 0 271.298 0.373 10 5 CCBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084639 174094915 /nfs/dbraw/zinc/09/49/15/174094915.db2.gz XCLGOHBZGJBYLH-JTQLQIEISA-N 1 0 286.309 0.619 10 5 CCBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]CCCO1 ZINC000390145915 262142433 /nfs/dbraw/zinc/14/24/33/262142433.db2.gz VIWZPIMPLVMBTO-JTQLQIEISA-N 1 0 283.332 0.910 10 5 CCBERO C[NH2+]CCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052942766 522012931 /nfs/dbraw/zinc/01/29/31/522012931.db2.gz YUQJEHRYDYFBEG-UHFFFAOYSA-N 1 0 273.314 0.234 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])C1 ZINC000050442635 527035203 /nfs/dbraw/zinc/03/52/03/527035203.db2.gz KDGSWPVMHJLSHS-SSDOTTSWSA-N 1 0 265.273 0.016 10 5 CCBERO C[C@@H]([NH3+])CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000111302654 617176805 /nfs/dbraw/zinc/17/68/05/617176805.db2.gz KALAUUZFECJGOA-ZCFIWIBFSA-N 1 0 266.257 0.685 10 5 CCBERO C[NH2+]CCOCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000600954103 362099777 /nfs/dbraw/zinc/09/97/77/362099777.db2.gz OAWPCDZTGPRBLB-UHFFFAOYSA-N 1 0 260.319 0.724 10 5 CCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116793825 349872778 /nfs/dbraw/zinc/87/27/78/349872778.db2.gz HQMJVAMXOMTIHR-CYBMUJFWSA-N 1 0 293.323 0.997 10 5 CCBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1 ZINC000262379762 137041106 /nfs/dbraw/zinc/04/11/06/137041106.db2.gz WYVPZQXNUHAKTK-ZYHUDNBSSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000263275146 137062668 /nfs/dbraw/zinc/06/26/68/137062668.db2.gz SSGVXICEGIEYHF-IUCAKERBSA-N 1 0 257.315 0.326 10 5 CCBERO C[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000311923524 137076061 /nfs/dbraw/zinc/07/60/61/137076061.db2.gz UYMUDTRJSMSYOB-SSDOTTSWSA-N 1 0 267.289 0.628 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096570 348227117 /nfs/dbraw/zinc/22/71/17/348227117.db2.gz DKWXZPXETKEZEP-RYUDHWBXSA-N 1 0 284.316 0.311 10 5 CCBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179173642 351260052 /nfs/dbraw/zinc/26/00/52/351260052.db2.gz ZYVQVEPLCZDFTN-MNOVXSKESA-N 1 0 282.296 0.401 10 5 CCBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423687436 235036113 /nfs/dbraw/zinc/03/61/13/235036113.db2.gz WMIMUAYXXSVCQF-BXKDBHETSA-N 1 0 279.296 0.922 10 5 CCBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592336769 359820872 /nfs/dbraw/zinc/82/08/72/359820872.db2.gz KKEBZZJIRDSCOI-HZGVNTEJSA-N 1 0 266.257 0.257 10 5 CCBERO CN1CCO[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596096287 360793121 /nfs/dbraw/zinc/79/31/21/360793121.db2.gz DRQIKWJUJQYVAP-MRVPVSSYSA-N 1 0 268.273 0.438 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000284527544 388779098 /nfs/dbraw/zinc/77/90/98/388779098.db2.gz KQUYLPAKCJOTRJ-NEPJUHHUSA-N 1 0 278.312 0.899 10 5 CCBERO COc1cc(C(=O)N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000164888270 389437138 /nfs/dbraw/zinc/43/71/38/389437138.db2.gz VNHBOEILCHBHLU-UHFFFAOYSA-N 1 0 265.269 0.647 10 5 CCBERO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420249041 389972918 /nfs/dbraw/zinc/97/29/18/389972918.db2.gz IOEJQJUMADMOSI-CPCISQLKSA-N 1 0 255.249 0.726 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095091964 184941244 /nfs/dbraw/zinc/94/12/44/184941244.db2.gz SCJZRSICQAFXCO-RBHXEPJQSA-N 1 0 255.299 0.707 10 5 CCBERO CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000262040410 143932490 /nfs/dbraw/zinc/93/24/90/143932490.db2.gz QCQQAUATODJLGL-SNVBAGLBSA-N 1 0 281.316 0.377 10 5 CCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH3+] ZINC000235384728 274364356 /nfs/dbraw/zinc/36/43/56/274364356.db2.gz JTIVTQWJIFDVJX-RQJHMYQMSA-N 1 0 263.257 0.914 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000420236102 518138651 /nfs/dbraw/zinc/13/86/51/518138651.db2.gz FSXBDILPEOJIBG-HQJQHLMTSA-N 1 0 285.275 0.735 10 5 CCBERO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000063020550 519233593 /nfs/dbraw/zinc/23/35/93/519233593.db2.gz XNFIOGKTAUFKDE-UHFFFAOYSA-N 1 0 291.304 0.750 10 5 CCBERO CN1CCN(c2cccc(F)c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122799675 616247271 /nfs/dbraw/zinc/24/72/71/616247271.db2.gz JHJCFRIAFLJSQR-SECBINFHSA-N 1 0 268.292 0.813 10 5 CCBERO C[C@@H]([NH3+])[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000156536357 636865137 /nfs/dbraw/zinc/86/51/37/636865137.db2.gz KFLXNQIETLFIDX-GMSGAONNSA-N 1 0 293.283 0.683 10 5 CCBERO O=[N+]([O-])c1ccnn1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172503759 637177668 /nfs/dbraw/zinc/17/76/68/637177668.db2.gz RVGUSFORDXJLDR-SNVBAGLBSA-N 1 0 251.290 0.529 10 5 CCBERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000063180566 637205185 /nfs/dbraw/zinc/20/51/85/637205185.db2.gz YFVSMPLYSYCMLK-LLVKDONJSA-N 1 0 292.339 0.886 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091916 349589787 /nfs/dbraw/zinc/58/97/87/349589787.db2.gz MMRDIOGIWSGVTR-SECBINFHSA-N 1 0 271.298 0.516 10 5 CCBERO C[NH2+]CCOCCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000600953729 362097689 /nfs/dbraw/zinc/09/76/89/362097689.db2.gz BJQGHYCDCTUSDB-UHFFFAOYSA-N 1 0 299.356 0.976 10 5 CCBERO C[NH2+]CCOCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000600952497 362097911 /nfs/dbraw/zinc/09/79/11/362097911.db2.gz XPCCULZPQCFVCS-UHFFFAOYSA-N 1 0 257.294 0.285 10 5 CCBERO C[NH2+]CCOCCNc1nccc(C)c1[N+](=O)[O-] ZINC000600952422 362098346 /nfs/dbraw/zinc/09/83/46/362098346.db2.gz VVJZNXYSUKPLBA-UHFFFAOYSA-N 1 0 254.290 0.946 10 5 CCBERO C[NH2+]CCOCCNc1ncc([N+](=O)[O-])cc1C ZINC000600952546 362098463 /nfs/dbraw/zinc/09/84/63/362098463.db2.gz ZAFXBZNHFYJPOC-UHFFFAOYSA-N 1 0 254.290 0.368 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404083244 290766079 /nfs/dbraw/zinc/76/60/79/290766079.db2.gz QCQQAFPINRYVKC-IUCAKERBSA-N 1 0 281.268 0.391 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262207567 137031030 /nfs/dbraw/zinc/03/10/30/137031030.db2.gz IQHWKKSAGLELJR-HQJQHLMTSA-N 1 0 283.259 0.044 10 5 CCBERO Cc1sc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262273359 137034189 /nfs/dbraw/zinc/03/41/89/137034189.db2.gz NGKUKJHLIIHVQK-APPZFPTMSA-N 1 0 285.325 0.275 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038096572 348226708 /nfs/dbraw/zinc/22/67/08/348226708.db2.gz DKWXZPXETKEZEP-NWDGAFQWSA-N 1 0 284.316 0.311 10 5 CCBERO CC[C@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000104209115 185931934 /nfs/dbraw/zinc/93/19/34/185931934.db2.gz XJQPKSXYRPRWFC-ZETCQYMHSA-N 1 0 288.329 0.391 10 5 CCBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176200101 351160606 /nfs/dbraw/zinc/16/06/06/351160606.db2.gz UZIGIPUSDQSSHD-SNVBAGLBSA-N 1 0 281.316 0.344 10 5 CCBERO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000420252552 234573066 /nfs/dbraw/zinc/57/30/66/234573066.db2.gz OANSOWINQQMPKT-LDWIPMOCSA-N 1 0 273.239 0.865 10 5 CCBERO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000423959439 235128592 /nfs/dbraw/zinc/12/85/92/235128592.db2.gz RIDJOHMZHDGPCI-JOYOIKCWSA-N 1 0 279.296 0.779 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1C ZINC000596028922 360778151 /nfs/dbraw/zinc/77/81/51/360778151.db2.gz MVJAXZGVDRUOIQ-SKDRFNHKSA-N 1 0 281.312 0.904 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569974 388794549 /nfs/dbraw/zinc/79/45/49/388794549.db2.gz SKWXZAPWERFXBG-BDAKNGLRSA-N 1 0 279.300 0.627 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122396421 389151253 /nfs/dbraw/zinc/15/12/53/389151253.db2.gz YYPACYTYFQNENX-VHSXEESVSA-N 1 0 293.327 0.637 10 5 CCBERO Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420241352 389971338 /nfs/dbraw/zinc/97/13/38/389971338.db2.gz AVLLTBKMGRSPJY-SKDRFNHKSA-N 1 0 251.286 0.895 10 5 CCBERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038049643 174061045 /nfs/dbraw/zinc/06/10/45/174061045.db2.gz NOZQYYQVAAKGJO-SFYZADRCSA-N 1 0 252.274 0.923 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[NH2+]CCCO1 ZINC000390123520 262131302 /nfs/dbraw/zinc/13/13/02/262131302.db2.gz OFOWYINHXOTSNB-JTQLQIEISA-N 1 0 283.332 0.910 10 5 CCBERO COCC[NH2+]Cc1ccc(OCCO)c([N+](=O)[O-])c1 ZINC000062730717 523953045 /nfs/dbraw/zinc/95/30/45/523953045.db2.gz YMZRLVIEPDOLSW-UHFFFAOYSA-N 1 0 270.285 0.702 10 5 CCBERO CN(CCC[NH3+])c1ccc([N+](=O)[O-])c2nonc21 ZINC000133831282 616074362 /nfs/dbraw/zinc/07/43/62/616074362.db2.gz WAKYKWKOALDYBF-UHFFFAOYSA-N 1 0 251.246 0.916 10 5 CCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1[NH3+] ZINC000235710944 623397610 /nfs/dbraw/zinc/39/76/10/623397610.db2.gz JTIVTQWJIFDVJX-BQBZGAKWSA-N 1 0 263.257 0.914 10 5 CCBERO Cc1nn(C)c(N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000108951763 282271569 /nfs/dbraw/zinc/27/15/69/282271569.db2.gz DBTVECNQYGJXCY-JTQLQIEISA-N 1 0 283.332 0.404 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000262165022 137028769 /nfs/dbraw/zinc/02/87/69/137028769.db2.gz UDGZOCBIOCFOTA-JOYOIKCWSA-N 1 0 269.276 0.404 10 5 CCBERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262198025 137030658 /nfs/dbraw/zinc/03/06/58/137030658.db2.gz ZQWBCSSMQVASJD-ZYHUDNBSSA-N 1 0 281.312 0.273 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262326424 137038307 /nfs/dbraw/zinc/03/83/07/137038307.db2.gz RWEXRTAARBXKFY-KWQFWETISA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263237898 137061313 /nfs/dbraw/zinc/06/13/13/137061313.db2.gz OHDSYWQBHHPEBV-CABZTGNLSA-N 1 0 285.731 0.918 10 5 CCBERO c1cn2cc(C[N+]34CN5CN(CN(C5)C3)C4)nc2s1 ZINC000019321399 348060066 /nfs/dbraw/zinc/06/00/66/348060066.db2.gz JSEGTEFWXKVBMO-UHFFFAOYSA-N 1 0 277.377 0.404 10 5 CCBERO CC(C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000040776781 348242180 /nfs/dbraw/zinc/24/21/80/348242180.db2.gz XDFMLHJAPYWCKT-PWSUYJOCSA-N 1 0 286.332 0.149 10 5 CCBERO C[C@@H]([NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835100 348244527 /nfs/dbraw/zinc/24/45/27/348244527.db2.gz VYGJFEMPKQYPAT-SNVBAGLBSA-N 1 0 293.327 0.376 10 5 CCBERO CC[NH2+]CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000054267305 348548199 /nfs/dbraw/zinc/54/81/99/348548199.db2.gz DFUIFTBIXWLVLZ-UHFFFAOYSA-N 1 0 277.284 0.853 10 5 CCBERO C[C@H]([NH3+])[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000156564035 350631716 /nfs/dbraw/zinc/63/17/16/350631716.db2.gz HUINUMMHQIQXBE-YUMQZZPRSA-N 1 0 297.340 0.856 10 5 CCBERO O=[N+]([O-])c1ccn(CCN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000176234740 351163180 /nfs/dbraw/zinc/16/31/80/351163180.db2.gz KTQBPSDTAHTUQD-LLVKDONJSA-N 1 0 265.317 0.571 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195339209 351911088 /nfs/dbraw/zinc/91/10/88/351911088.db2.gz LPOSKGHSGXBJAP-LLVKDONJSA-N 1 0 293.327 0.406 10 5 CCBERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000227567753 352054791 /nfs/dbraw/zinc/05/47/91/352054791.db2.gz QKEARVYDRWWUAW-SNVBAGLBSA-N 1 0 293.323 0.898 10 5 CCBERO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]CC1 ZINC000364658693 357129381 /nfs/dbraw/zinc/12/93/81/357129381.db2.gz MVDHQYKWMRQSOK-SNVBAGLBSA-N 1 0 281.316 0.392 10 5 CCBERO CCO[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000405575857 357826993 /nfs/dbraw/zinc/82/69/93/357826993.db2.gz ISCAHMHAOZWSCS-PSASIEDQSA-N 1 0 267.289 0.185 10 5 CCBERO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C[N@@H+]1C ZINC000408071023 357902492 /nfs/dbraw/zinc/90/24/92/357902492.db2.gz OSGNVSZCJUWCET-ZJUUUORDSA-N 1 0 267.333 0.853 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408087215 357913255 /nfs/dbraw/zinc/91/32/55/357913255.db2.gz AODPYDMRTXEFKM-VIFPVBQESA-N 1 0 264.285 0.843 10 5 CCBERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000301660536 389056283 /nfs/dbraw/zinc/05/62/83/389056283.db2.gz MMTKTNRGRMWIAC-VXGBXAGGSA-N 1 0 278.312 0.817 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)C2CC[NH2+]CC2)nc1 ZINC000095091950 184940832 /nfs/dbraw/zinc/94/08/32/184940832.db2.gz RQAONVCTOJKMKA-KRWDZBQOSA-N 1 0 255.299 0.849 10 5 CCBERO NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000284976185 196169464 /nfs/dbraw/zinc/16/94/64/196169464.db2.gz XGFQLLDZGWXARX-ZDUSSCGKSA-N 1 0 279.296 0.407 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000038031625 174026206 /nfs/dbraw/zinc/02/62/06/174026206.db2.gz OSDFFOMREXOGNN-UHFFFAOYSA-N 1 0 278.312 0.463 10 5 CCBERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038049641 174061190 /nfs/dbraw/zinc/06/11/90/174061190.db2.gz NOZQYYQVAAKGJO-YUMQZZPRSA-N 1 0 252.274 0.923 10 5 CCBERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000038049612 174061232 /nfs/dbraw/zinc/06/12/32/174061232.db2.gz SIHFKQZEQYSSSZ-DTWKUNHWSA-N 1 0 252.274 0.923 10 5 CCBERO Nc1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040608680 174353606 /nfs/dbraw/zinc/35/36/06/174353606.db2.gz DJHAPBINURUPEG-UHFFFAOYSA-N 1 0 266.305 0.865 10 5 CCBERO COc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH3+])CC1=O ZINC000061628684 522976952 /nfs/dbraw/zinc/97/69/52/522976952.db2.gz SKDCZDSQDMXOCT-ZETCQYMHSA-N 1 0 251.242 0.667 10 5 CCBERO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000165797701 636912591 /nfs/dbraw/zinc/91/25/91/636912591.db2.gz OKEMRNJQDHWGSD-SECBINFHSA-N 1 0 282.256 0.667 10 5 CCBERO COC[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262393249 137042169 /nfs/dbraw/zinc/04/21/69/137042169.db2.gz YZKRIEQKXYZLCI-JTQLQIEISA-N 1 0 287.703 0.838 10 5 CCBERO COc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262198023 137030508 /nfs/dbraw/zinc/03/05/08/137030508.db2.gz ZQWBCSSMQVASJD-JQWIXIFHSA-N 1 0 281.312 0.273 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262210780 137030971 /nfs/dbraw/zinc/03/09/71/137030971.db2.gz IUEIMVHRICKDRI-OIBJUYFYSA-N 1 0 299.714 0.558 10 5 CCBERO [NH3+][C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000133167238 350327761 /nfs/dbraw/zinc/32/77/61/350327761.db2.gz AVYZXWOMKATEIS-SECBINFHSA-N 1 0 289.295 0.981 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195053912 351895647 /nfs/dbraw/zinc/89/56/47/351895647.db2.gz KTAXWJKMKJTBAV-NSHDSACASA-N 1 0 293.327 0.488 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404052918 357814979 /nfs/dbraw/zinc/81/49/79/357814979.db2.gz FUKGOLNGZAONDO-WDEREUQCSA-N 1 0 280.284 0.126 10 5 CCBERO CCO[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C[NH3+] ZINC000405614042 357826731 /nfs/dbraw/zinc/82/67/31/357826731.db2.gz SZYYRNFHYOWIOY-MWLCHTKSSA-N 1 0 266.301 0.790 10 5 CCBERO C[NH2+]C[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596033110 360779130 /nfs/dbraw/zinc/77/91/30/360779130.db2.gz QOGNPWPDLLMJAF-SSDOTTSWSA-N 1 0 252.274 0.714 10 5 CCBERO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179169922 189174220 /nfs/dbraw/zinc/17/42/20/189174220.db2.gz WCGIMIKQLRVZRF-MNOVXSKESA-N 1 0 252.270 0.522 10 5 CCBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000599012585 361555900 /nfs/dbraw/zinc/55/59/00/361555900.db2.gz UBAHSJFALFIDHL-DTWKUNHWSA-N 1 0 258.299 0.896 10 5 CCBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193268543 389065184 /nfs/dbraw/zinc/06/51/84/389065184.db2.gz BZQDQXGUEFDENF-LLVKDONJSA-N 1 0 297.359 0.884 10 5 CCBERO Cc1nn(C)c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408027694 389820346 /nfs/dbraw/zinc/82/03/46/389820346.db2.gz OUEQJGUGCGGKPN-GHMZBOCLSA-N 1 0 295.343 0.546 10 5 CCBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000285284136 196240089 /nfs/dbraw/zinc/24/00/89/196240089.db2.gz FVKVZJFWHXPFES-QMMMGPOBSA-N 1 0 265.273 0.238 10 5 CCBERO CN(CCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071151089 176045063 /nfs/dbraw/zinc/04/50/63/176045063.db2.gz RPUSQIDJBXCZFG-UHFFFAOYSA-N 1 0 264.329 0.936 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]CCCO2)s1 ZINC000390251492 262166096 /nfs/dbraw/zinc/16/60/96/262166096.db2.gz TZVDQMMGQSPYSD-ZETCQYMHSA-N 1 0 258.303 0.264 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000301677108 277131480 /nfs/dbraw/zinc/13/14/80/277131480.db2.gz SUKZDDPSNNCOFY-MNOVXSKESA-N 1 0 264.285 0.509 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382456507 336090401 /nfs/dbraw/zinc/09/04/01/336090401.db2.gz JSJONLWEQLTDPS-JGVFFNPUSA-N 1 0 279.300 0.628 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C[NH3+])C1 ZINC000124474687 616247268 /nfs/dbraw/zinc/24/72/68/616247268.db2.gz FSXOIDNOJUSGMY-MRVPVSSYSA-N 1 0 292.299 0.210 10 5 CCBERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C[NH3+] ZINC000600966419 362104349 /nfs/dbraw/zinc/10/43/49/362104349.db2.gz NZGSUKPFGYUSNC-DTWKUNHWSA-N 1 0 266.301 0.600 10 5 CCBERO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000359972620 232123222 /nfs/dbraw/zinc/12/32/22/232123222.db2.gz GGOWKARCKUIXEF-VXGBXAGGSA-N 1 0 266.297 0.831 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262329131 137038205 /nfs/dbraw/zinc/03/82/05/137038205.db2.gz SDPCZLGGZDHSFC-GZMMTYOYSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263267126 137062352 /nfs/dbraw/zinc/06/23/52/137062352.db2.gz RREZDIKFPWDCQS-ZYHUDNBSSA-N 1 0 251.286 0.265 10 5 CCBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263193651 137060158 /nfs/dbraw/zinc/06/01/58/137060158.db2.gz IEZVEGHNDIAYKA-WCQYABFASA-N 1 0 295.339 0.663 10 5 CCBERO COc1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH2+]CC2)c1 ZINC000134182325 350356344 /nfs/dbraw/zinc/35/63/44/350356344.db2.gz AKFBESJQQFOFDT-UHFFFAOYSA-N 1 0 294.311 0.447 10 5 CCBERO O=[N+]([O-])c1ccn(CCN2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000248371808 352436020 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Cc1ccc([N+](=O)[O-])c(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313372448 389113923 /nfs/dbraw/zinc/11/39/23/389113923.db2.gz VQMFLDCJNFXRIV-SNVBAGLBSA-N 1 0 266.301 0.852 10 5 CCBERO Cc1cccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420236719 389970239 /nfs/dbraw/zinc/97/02/39/389970239.db2.gz GLGNURKOCMPOTI-ONGXEEELSA-N 1 0 251.286 0.895 10 5 CCBERO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261566629 131152288 /nfs/dbraw/zinc/15/22/88/131152288.db2.gz ZHFAWZSABDVNFX-ZJUUUORDSA-N 1 0 251.242 0.256 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])[C@@H](F)C1 ZINC000584645353 411833401 /nfs/dbraw/zinc/83/34/01/411833401.db2.gz ITODKGMPWUTPFP-JGVFFNPUSA-N 1 0 257.269 0.594 10 5 CCBERO O=[N+]([O-])c1cccnc1NCCCN1CC[NH2+]CC1 ZINC000035307790 172120937 /nfs/dbraw/zinc/12/09/37/172120937.db2.gz FOLKJIRLGZMDJH-UHFFFAOYSA-N 1 0 265.317 0.697 10 5 CCBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCC(N)=O ZINC000035414604 172188667 /nfs/dbraw/zinc/18/86/67/172188667.db2.gz OJUGUBPQKJVZPW-UHFFFAOYSA-N 1 0 253.258 0.568 10 5 CCBERO CN(CCN1CC[NH2+]CC1)c1ccncc1[N+](=O)[O-] ZINC000071151047 176045185 /nfs/dbraw/zinc/04/51/85/176045185.db2.gz GGSGALLBAJOASY-UHFFFAOYSA-N 1 0 265.317 0.331 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284521273 303020972 /nfs/dbraw/zinc/02/09/72/303020972.db2.gz KCRLPRRRPFSKCZ-UWVGGRQHSA-N 1 0 281.316 0.238 10 5 CCBERO [NH3+]CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000166052065 334904663 /nfs/dbraw/zinc/90/46/63/334904663.db2.gz FJOUAOTUTHKVFO-UHFFFAOYSA-N 1 0 293.323 0.967 10 5 CCBERO O=C1COc2cc([N+](=O)[O-])c(N[C@@H]3CC[NH2+]C3)cc2N1 ZINC000052093756 623370609 /nfs/dbraw/zinc/37/06/09/623370609.db2.gz OYUZPHNSGFPIID-SSDOTTSWSA-N 1 0 278.268 0.700 10 5 CCBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000062984732 637191360 /nfs/dbraw/zinc/19/13/60/637191360.db2.gz JWCPWQAQWMYOSZ-SNVBAGLBSA-N 1 0 278.312 0.953 10 5 CCBERO C[NH2+]CCOCCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000600952457 362097887 /nfs/dbraw/zinc/09/78/87/362097887.db2.gz XCYMMIIZVRMNOA-UHFFFAOYSA-N 1 0 254.290 0.662 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000050015939 348463479 /nfs/dbraw/zinc/46/34/79/348463479.db2.gz KNHYWLBEGNDLCM-GHMZBOCLSA-N 1 0 279.296 0.588 10 5 CCBERO Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000132891549 350319145 /nfs/dbraw/zinc/31/91/45/350319145.db2.gz LUYFCSJEJAIGQJ-MWLCHTKSSA-N 1 0 266.301 0.851 10 5 CCBERO Cc1ccnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000132973833 350321410 /nfs/dbraw/zinc/32/14/10/350321410.db2.gz XHGBLRKXAJTKFR-ZJUUUORDSA-N 1 0 266.301 0.851 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174862192 351107873 /nfs/dbraw/zinc/10/78/73/351107873.db2.gz ZVQXJLBEVUQECW-VXGBXAGGSA-N 1 0 279.344 0.960 10 5 CCBERO CN1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226627044 352030964 /nfs/dbraw/zinc/03/09/64/352030964.db2.gz KMSLRAMRXVPVCZ-QMMMGPOBSA-N 1 0 296.356 0.383 10 5 CCBERO CCc1nn(C)c(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000234177484 352155224 /nfs/dbraw/zinc/15/52/24/352155224.db2.gz ONBCTYKHBUTLOU-MRVPVSSYSA-N 1 0 269.305 0.291 10 5 CCBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1[NH3+] ZINC000235648031 352185954 /nfs/dbraw/zinc/18/59/54/352185954.db2.gz FZKXWYVSXGRUGR-YUMQZZPRSA-N 1 0 252.274 0.353 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000246112253 352348528 /nfs/dbraw/zinc/34/85/28/352348528.db2.gz CDYCICZZBPHRRW-RYUDHWBXSA-N 1 0 279.344 0.960 10 5 CCBERO Cc1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000299537424 354025196 /nfs/dbraw/zinc/02/51/96/354025196.db2.gz GGZOPHYFBIQJHJ-VIFPVBQESA-N 1 0 279.300 0.547 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000246066884 285001928 /nfs/dbraw/zinc/00/19/28/285001928.db2.gz YYPACYTYFQNENX-UWVGGRQHSA-N 1 0 293.327 0.637 10 5 CCBERO CC(C)[NH2+]CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000574863134 335053020 /nfs/dbraw/zinc/05/30/20/335053020.db2.gz CFRLRMUHJIPOFY-UHFFFAOYSA-N 1 0 281.316 0.889 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCCO2)nc1 ZINC000390147486 389772260 /nfs/dbraw/zinc/77/22/60/389772260.db2.gz VTSJGCWFBVQUDD-SNVBAGLBSA-N 1 0 252.274 0.780 10 5 CCBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000249688061 131123031 /nfs/dbraw/zinc/12/30/31/131123031.db2.gz SRWBKRNOCBGOFC-MVWJERBFSA-N 1 0 284.316 0.309 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC1 ZINC000020362624 171161413 /nfs/dbraw/zinc/16/14/13/171161413.db2.gz BVIDYTSJTZHTMG-UHFFFAOYSA-N 1 0 294.311 0.447 10 5 CCBERO [NH3+]CCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000021506775 171308251 /nfs/dbraw/zinc/30/82/51/171308251.db2.gz NFHIMEZVIXJLCI-UHFFFAOYSA-N 1 0 277.277 0.361 10 5 CCBERO [NH3+]CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021788378 171323001 /nfs/dbraw/zinc/32/30/01/171323001.db2.gz UQFKQXHHSFIBFU-UHFFFAOYSA-N 1 0 279.705 0.485 10 5 CCBERO CC[NH2+]C[C@@H](O)COc1cc([N+](=O)[O-])ccc1OC ZINC000037372533 173162108 /nfs/dbraw/zinc/16/21/08/173162108.db2.gz CGLZLSZQMBYMMC-SNVBAGLBSA-N 1 0 270.285 0.953 10 5 CCBERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[NH2+]CCCO1 ZINC000390145916 262142361 /nfs/dbraw/zinc/14/23/61/262142361.db2.gz VIWZPIMPLVMBTO-SNVBAGLBSA-N 1 0 283.332 0.910 10 5 CCBERO Cc1nc(NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000390228023 262159884 /nfs/dbraw/zinc/15/98/84/262159884.db2.gz OTLSJAGJQKAVDA-SNVBAGLBSA-N 1 0 266.301 0.511 10 5 CCBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000129119183 273974959 /nfs/dbraw/zinc/97/49/59/273974959.db2.gz WFYGXAHVYJVZQY-ZETCQYMHSA-N 1 0 263.257 0.929 10 5 CCBERO CC(C)[C@H]([NH3+])CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000156795489 280282924 /nfs/dbraw/zinc/28/29/24/280282924.db2.gz POTZPVKAWLSDBX-LLVKDONJSA-N 1 0 295.343 0.898 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000420250161 534328799 /nfs/dbraw/zinc/32/87/99/534328799.db2.gz JUCNSXSOGDFUQF-BXKDBHETSA-N 1 0 251.286 0.895 10 5 CCBERO COCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052791203 521949637 /nfs/dbraw/zinc/94/96/37/521949637.db2.gz LCXWYCGZPQRIAL-JTQLQIEISA-N 1 0 253.258 0.897 10 5 CCBERO C[NH2+][C@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062541853 522462155 /nfs/dbraw/zinc/46/21/55/522462155.db2.gz ITJWELWUYGBRAS-SECBINFHSA-N 1 0 267.285 0.745 10 5 CCBERO CNC(=O)[C@H](C)Oc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516508 524100882 /nfs/dbraw/zinc/10/08/82/524100882.db2.gz DSJQWBANROAFIK-ZETCQYMHSA-N 1 0 253.258 0.567 10 5 CCBERO CS(=O)(=O)c1ccc(OC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000062810111 525259785 /nfs/dbraw/zinc/25/97/85/525259785.db2.gz TXFCKJOOORTNHN-UHFFFAOYSA-N 1 0 272.282 0.349 10 5 CCBERO NC(=O)[C@H]([NH3+])CCSc1ccccc1[N+](=O)[O-] ZINC000062596680 526994237 /nfs/dbraw/zinc/99/42/37/526994237.db2.gz FUYVJPPRKUBEHH-SSDOTTSWSA-N 1 0 255.299 0.890 10 5 CCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[NH2+]1 ZINC000052783485 623055307 /nfs/dbraw/zinc/05/53/07/623055307.db2.gz VARPEUHJJDAJLG-ZETCQYMHSA-N 1 0 263.257 0.929 10 5 CCBERO C[N+]1(CCCNC(=O)c2ccco2)CCOCC1 ZINC000059181802 717131460 /nfs/dbraw/zinc/13/14/60/717131460.db2.gz ZDBLOCQGUMGECY-UHFFFAOYSA-O 1 0 253.322 0.876 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CC[NH2+]CC1 ZINC000091557201 349467439 /nfs/dbraw/zinc/46/74/39/349467439.db2.gz RUHICLYUYDRMGW-UHFFFAOYSA-N 1 0 296.375 0.827 10 5 CCBERO COC(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000095082189 349589286 /nfs/dbraw/zinc/58/92/86/349589286.db2.gz NTZOZPNLJKLRHG-NSHDSACASA-N 1 0 268.269 0.781 10 5 CCBERO Cc1nn(C)c(N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000108951760 282272016 /nfs/dbraw/zinc/27/20/16/282272016.db2.gz DBTVECNQYGJXCY-SNVBAGLBSA-N 1 0 283.332 0.404 10 5 CCBERO CNS(=O)(=O)C[C@@](C)(N)c1cc([N+](=O)[O-])ccc1F ZINC000222082465 351981293 /nfs/dbraw/zinc/98/12/93/351981293.db2.gz XAWFTBLLKNFYHE-SNVBAGLBSA-N 1 0 291.304 0.457 10 5 CCBERO Cc1ccnc(N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000228375881 352074429 /nfs/dbraw/zinc/07/44/29/352074429.db2.gz XHGBLRKXAJTKFR-UWVGGRQHSA-N 1 0 266.301 0.851 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404073797 357815035 /nfs/dbraw/zinc/81/50/35/357815035.db2.gz MNVHBFIULZMLIQ-NXEZZACHSA-N 1 0 280.284 0.126 10 5 CCBERO C[C@H]1C[N@H+](C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408306552 358025090 /nfs/dbraw/zinc/02/50/90/358025090.db2.gz DJEHWMLKBOTZFQ-VIFPVBQESA-N 1 0 253.306 0.464 10 5 CCBERO CC(C)[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596030133 360778423 /nfs/dbraw/zinc/77/84/23/360778423.db2.gz KSRALMVPXAIVFU-SNVBAGLBSA-N 1 0 281.316 0.874 10 5 CCBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596031804 360778965 /nfs/dbraw/zinc/77/89/65/360778965.db2.gz GIBVDGRRHWAQIF-ZCFIWIBFSA-N 1 0 253.262 0.109 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000095091850 285167314 /nfs/dbraw/zinc/16/73/14/285167314.db2.gz OQEWWIQXKHITGS-VIFPVBQESA-N 1 0 285.325 0.906 10 5 CCBERO CCOc1cc(NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420254138 389973903 /nfs/dbraw/zinc/97/39/03/389973903.db2.gz RCBAABZUIGTIFB-BXKDBHETSA-N 1 0 281.312 0.986 10 5 CCBERO CO[C@H]1C[NH2+]C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036268151 172563427 /nfs/dbraw/zinc/56/34/27/172563427.db2.gz QRNMGFXQZXNNKO-SFYZADRCSA-N 1 0 255.278 0.035 10 5 CCBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000183234716 525470343 /nfs/dbraw/zinc/47/03/43/525470343.db2.gz LTHPXOIXGOPQOS-PWSUYJOCSA-N 1 0 281.312 0.914 10 5 CCBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000420245737 534880797 /nfs/dbraw/zinc/88/07/97/534880797.db2.gz RELZGSLLHDOMGK-POYBYMJQSA-N 1 0 295.324 0.592 10 5 CCBERO [NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063174786 637204342 /nfs/dbraw/zinc/20/43/42/637204342.db2.gz MQYIAMOZOMQLTI-GHMZBOCLSA-N 1 0 285.325 0.753 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1cc([N+](=O)[O-])cn1 ZINC000247147958 649703872 /nfs/dbraw/zinc/70/38/72/649703872.db2.gz RPZWMRSDDUCCJV-QWRGUYRKSA-N 1 0 265.317 0.917 10 5 CCBERO COC(=O)[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000250831489 649792597 /nfs/dbraw/zinc/79/25/97/649792597.db2.gz ABSSEJNTGMZFJX-KOLCDFICSA-N 1 0 296.327 0.841 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]C2)nc1 ZINC000095091924 349589800 /nfs/dbraw/zinc/58/98/00/349589800.db2.gz MTFAGFKVNRGGTF-VIFPVBQESA-N 1 0 285.325 0.763 10 5 CCBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000116798158 349873518 /nfs/dbraw/zinc/87/35/18/349873518.db2.gz KTQOVXDHQBARTE-VIFPVBQESA-N 1 0 283.284 0.590 10 5 CCBERO CN(CCC[NH3+])c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000156865686 290706669 /nfs/dbraw/zinc/70/66/69/290706669.db2.gz OEEBEPJMBANQIZ-UHFFFAOYSA-N 1 0 277.284 0.616 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262207572 137031110 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C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174862205 351107618 /nfs/dbraw/zinc/10/76/18/351107618.db2.gz ZVQXJLBEVUQECW-NWDGAFQWSA-N 1 0 279.344 0.960 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186545853 351502937 /nfs/dbraw/zinc/50/29/37/351502937.db2.gz IDQNKDQSUHCRFR-JTQLQIEISA-N 1 0 293.327 0.534 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195328786 351909858 /nfs/dbraw/zinc/90/98/58/351909858.db2.gz UVQGCDNUCNRYQQ-SNVBAGLBSA-N 1 0 279.300 0.098 10 5 CCBERO Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228373754 352074430 /nfs/dbraw/zinc/07/44/30/352074430.db2.gz LUYFCSJEJAIGQJ-ONGXEEELSA-N 1 0 266.301 0.851 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1COCC[NH2+]1 ZINC000234209392 352155328 /nfs/dbraw/zinc/15/53/28/352155328.db2.gz YOOYOCSQNZADOG-SECBINFHSA-N 1 0 269.305 0.520 10 5 CCBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423636063 235024937 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Cc1ccc(NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])c1 ZINC000420250135 389973175 /nfs/dbraw/zinc/97/31/75/389973175.db2.gz JRQWVHFFGSXHQO-BXKDBHETSA-N 1 0 251.286 0.895 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000153169652 277131448 /nfs/dbraw/zinc/13/14/48/277131448.db2.gz SUKZDDPSNNCOFY-QWRGUYRKSA-N 1 0 264.285 0.509 10 5 CCBERO C[NH2+]C[C@H](C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000051867333 522073036 /nfs/dbraw/zinc/07/30/36/522073036.db2.gz YNKHGBGMYZGUHP-QMMMGPOBSA-N 1 0 288.325 0.985 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1OCC[C@H]([NH3+])C(N)=O ZINC000062540327 525472378 /nfs/dbraw/zinc/47/23/78/525472378.db2.gz JAWSHCBBOKMUBC-QMMMGPOBSA-N 1 0 269.257 0.185 10 5 CCBERO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000178647982 622802754 /nfs/dbraw/zinc/80/27/54/622802754.db2.gz LRTDHVAUGICRQK-ZETCQYMHSA-N 1 0 282.256 0.970 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1cc([N+](=O)[O-])cn1 ZINC000247147951 624635745 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O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000262165018 137028970 /nfs/dbraw/zinc/02/89/70/137028970.db2.gz UDGZOCBIOCFOTA-BXKDBHETSA-N 1 0 269.276 0.404 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262337578 137038669 /nfs/dbraw/zinc/03/86/69/137038669.db2.gz SUIPGGBVBYQGGB-HQJQHLMTSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000052014931 348503043 /nfs/dbraw/zinc/50/30/43/348503043.db2.gz DGTGBWARDHJEHJ-UTUOFQBUSA-N 1 0 284.316 0.045 10 5 CCBERO NS(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093751 348504314 /nfs/dbraw/zinc/50/43/14/348504314.db2.gz GJECSOSCAGYWQW-ZETCQYMHSA-N 1 0 286.313 0.016 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172060137 350955341 /nfs/dbraw/zinc/95/53/41/350955341.db2.gz FMLYASRXWMDUHM-WDEREUQCSA-N 1 0 293.327 0.486 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195321364 351910130 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CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000300485335 354065571 /nfs/dbraw/zinc/06/55/71/354065571.db2.gz OPVFYOKIWYXXCX-SECBINFHSA-N 1 0 285.735 0.722 10 5 CCBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000423633483 235024069 /nfs/dbraw/zinc/02/40/69/235024069.db2.gz BHHFZLKXLUOWPR-VHSXEESVSA-N 1 0 279.296 0.922 10 5 CCBERO CC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000389606733 357737109 /nfs/dbraw/zinc/73/71/09/357737109.db2.gz WNSCFCFJEBRFIS-QMMMGPOBSA-N 1 0 279.300 0.396 10 5 CCBERO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592335259 359820686 /nfs/dbraw/zinc/82/06/86/359820686.db2.gz QWEXUEJKUYDHNS-LURJTMIESA-N 1 0 254.246 0.033 10 5 CCBERO Nc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248700699 189951967 /nfs/dbraw/zinc/95/19/67/189951967.db2.gz ZNDKZDXRYLFOIV-DCAQKATOSA-N 1 0 290.323 0.986 10 5 CCBERO C[NH+](C)C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000193415779 389068893 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C[NH2+]CCOc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000051866610 522011132 /nfs/dbraw/zinc/01/11/32/522011132.db2.gz GQLZVYYDJXHKTB-UHFFFAOYSA-N 1 0 267.241 0.524 10 5 CCBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCOCCO)c1 ZINC000050516717 522125889 /nfs/dbraw/zinc/12/58/89/522125889.db2.gz SWNUMHXVJSUKRB-UHFFFAOYSA-N 1 0 270.285 0.702 10 5 CCBERO C[NH2+][C@@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442052 522357567 /nfs/dbraw/zinc/35/75/67/522357567.db2.gz DWUHLVGTDNLNEH-VIFPVBQESA-N 1 0 267.285 0.664 10 5 CCBERO CNC(=O)[C@@H](C)Oc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516510 524080808 /nfs/dbraw/zinc/08/08/08/524080808.db2.gz DSJQWBANROAFIK-SSDOTTSWSA-N 1 0 253.258 0.567 10 5 CCBERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000110928175 616115902 /nfs/dbraw/zinc/11/59/02/616115902.db2.gz CJKNYEMMHIXZFF-JTQLQIEISA-N 1 0 299.352 0.967 10 5 CCBERO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c2nonc21 ZINC000209510112 635722113 /nfs/dbraw/zinc/72/21/13/635722113.db2.gz YQPKMVPTCTWJKZ-XCBNKYQSSA-N 1 0 275.268 0.929 10 5 CCBERO C[C@H](C[NH3+])Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000111302758 644105116 /nfs/dbraw/zinc/10/51/16/644105116.db2.gz QRDPGLZJEKTUHB-ZCFIWIBFSA-N 1 0 266.257 0.685 10 5 CCBERO CN1C=CC([C@@H](O)[NH2+]CCC[N+](C)(C)C)=C/C1=C/N=O ZINC000137050080 717151427 /nfs/dbraw/zinc/15/14/27/717151427.db2.gz VXSZESOTZXIIEG-YBEMTRGBSA-N 1 0 281.380 0.984 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095091957 349589830 /nfs/dbraw/zinc/58/98/30/349589830.db2.gz XRHKXAKSSFHSED-CQLKUDPESA-N 1 0 255.299 0.849 10 5 CCBERO Cc1nn(C)c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000301654425 282272076 /nfs/dbraw/zinc/27/20/76/282272076.db2.gz KSTCXGOKZCMOGY-UWVGGRQHSA-N 1 0 281.316 0.156 10 5 CCBERO CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000261891388 137024481 /nfs/dbraw/zinc/02/44/81/137024481.db2.gz VPQAESRQDLDNFZ-NSHDSACASA-N 1 0 267.333 0.851 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262207564 137030956 /nfs/dbraw/zinc/03/09/56/137030956.db2.gz IQHWKKSAGLELJR-CPCISQLKSA-N 1 0 283.259 0.044 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262220431 137031536 /nfs/dbraw/zinc/03/15/36/137031536.db2.gz JMLCTQQFMYQQQS-WRWORJQWSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263244936 137061120 /nfs/dbraw/zinc/06/11/20/137061120.db2.gz PEKOPDHSHQXXQY-DGCLKSJQSA-N 1 0 265.313 0.573 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096569 348226674 /nfs/dbraw/zinc/22/66/74/348226674.db2.gz DKWXZPXETKEZEP-NEPJUHHUSA-N 1 0 284.316 0.311 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000040635501 348240208 /nfs/dbraw/zinc/24/02/08/348240208.db2.gz PGAGJDYSPULUEN-VXGBXAGGSA-N 1 0 293.323 0.930 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CCC(CC[NH3+])CC1 ZINC000070188616 348877388 /nfs/dbraw/zinc/87/73/88/348877388.db2.gz RORWEBJPVPHBMU-UHFFFAOYSA-N 1 0 253.306 0.894 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH2+]CC2)n1 ZINC000163001717 350758436 /nfs/dbraw/zinc/75/84/36/350758436.db2.gz CVXUFFVJFYKYND-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO O=[N+]([O-])c1cnn(CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000174851433 351108115 /nfs/dbraw/zinc/10/81/15/351108115.db2.gz NFLUOQXFGBOXFO-LLVKDONJSA-N 1 0 265.317 0.571 10 5 CCBERO O=[N+]([O-])c1cnn(CCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177756232 351212472 /nfs/dbraw/zinc/21/24/72/351212472.db2.gz GDTCBLBZQRNVDC-GFCCVEGCSA-N 1 0 279.344 0.961 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186557077 351503390 /nfs/dbraw/zinc/50/33/90/351503390.db2.gz FZMQVBPWAKBRSU-SNVBAGLBSA-N 1 0 293.327 0.534 10 5 CCBERO COC[C@H](C)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123511307 187096130 /nfs/dbraw/zinc/09/61/30/187096130.db2.gz XVNRHMMTNZZZPC-TVYUQYBPSA-N 1 0 284.312 0.614 10 5 CCBERO Cc1nn(C)c(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000235968847 352190330 /nfs/dbraw/zinc/19/03/30/352190330.db2.gz UEULTGVHYNEIPO-MRVPVSSYSA-N 1 0 255.278 0.037 10 5 CCBERO Cc1n[nH]c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000264961057 352610886 /nfs/dbraw/zinc/61/08/86/352610886.db2.gz NKUJDIYRWJFCKX-WCBMZHEXSA-N 1 0 293.327 0.935 10 5 CCBERO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000420252554 234573639 /nfs/dbraw/zinc/57/36/39/234573639.db2.gz OANSOWINQQMPKT-QUBYGPBYSA-N 1 0 273.239 0.865 10 5 CCBERO C[C@@H](C[NH3+])CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591431604 359591621 /nfs/dbraw/zinc/59/16/21/359591621.db2.gz IJDZYIASSUOYTO-QMMMGPOBSA-N 1 0 261.285 0.967 10 5 CCBERO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](C[NH3+])C(F)(F)F ZINC000596005160 360773344 /nfs/dbraw/zinc/77/33/44/360773344.db2.gz VEWBQAAMUVOTMQ-LURJTMIESA-N 1 0 295.221 0.139 10 5 CCBERO C[NH+](C)C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1 ZINC000192451648 389037641 /nfs/dbraw/zinc/03/76/41/389037641.db2.gz FQCTYHWSRIICEB-QMMMGPOBSA-N 1 0 272.330 0.818 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415496736 389687849 /nfs/dbraw/zinc/68/78/49/389687849.db2.gz GTPKQFABEQEJJL-LDYMZIIASA-N 1 0 280.284 0.297 10 5 CCBERO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)nc1 ZINC000035307783 172121069 /nfs/dbraw/zinc/12/10/69/172121069.db2.gz DZFBUDJKPQJZQU-UHFFFAOYSA-N 1 0 265.317 0.697 10 5 CCBERO NC(=O)c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000035330398 172129824 /nfs/dbraw/zinc/12/98/24/172129824.db2.gz PMSVESLKXSNEDU-UHFFFAOYSA-N 1 0 264.285 0.493 10 5 CCBERO CN(c1nc[nH]c(=O)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040659864 174365723 /nfs/dbraw/zinc/36/57/23/174365723.db2.gz UOSVJFAWTPVRGT-UHFFFAOYSA-N 1 0 267.289 0.621 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]CCCO2)s1 ZINC000390251489 262166494 /nfs/dbraw/zinc/16/64/94/262166494.db2.gz TZVDQMMGQSPYSD-SSDOTTSWSA-N 1 0 258.303 0.264 10 5 CCBERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000261721286 274953208 /nfs/dbraw/zinc/95/32/08/274953208.db2.gz CJBAXBNQUHJHQB-RNCFNFMXSA-N 1 0 291.307 0.990 10 5 CCBERO C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050792314 523909175 /nfs/dbraw/zinc/90/91/75/523909175.db2.gz CVUQRUCXSRGNSF-UHFFFAOYSA-N 1 0 250.302 0.924 10 5 CCBERO COCC[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000117323087 616374046 /nfs/dbraw/zinc/37/40/46/616374046.db2.gz QOROWTFXZRIBIK-NSHDSACASA-N 1 0 283.332 0.401 10 5 CCBERO Cc1nn(CN2CCO[C@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000153010326 637651763 /nfs/dbraw/zinc/65/17/63/637651763.db2.gz HEECAMDRYCOMCT-GFCCVEGCSA-N 1 0 297.359 0.628 10 5 CCBERO CN1CCO[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000227859995 639861103 /nfs/dbraw/zinc/86/11/03/639861103.db2.gz URCYXRHIXCEJCI-UONOGXRCSA-N 1 0 295.339 0.548 10 5 CCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000083309118 178380437 /nfs/dbraw/zinc/38/04/37/178380437.db2.gz SRIHXDAAEAPHMQ-MRVPVSSYSA-N 1 0 256.283 0.730 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)nc1 ZINC000095091914 349589856 /nfs/dbraw/zinc/58/98/56/349589856.db2.gz AHJUOLRKGRYPPT-MRVPVSSYSA-N 1 0 257.271 0.125 10 5 CCBERO CNS(=O)(=O)c1ccc(NC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000111302536 349770612 /nfs/dbraw/zinc/77/06/12/349770612.db2.gz WPATVDWIZTUCAB-ZETCQYMHSA-N 1 0 288.329 0.262 10 5 CCBERO CCc1nn(C)c(N2C[C@@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000600961968 362102781 /nfs/dbraw/zinc/10/27/81/362102781.db2.gz XOURFSZTFRXOLP-RKDXNWHRSA-N 1 0 267.333 0.922 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113229953 349805372 /nfs/dbraw/zinc/80/53/72/349805372.db2.gz BVCQHPNHVUFOKV-GHMZBOCLSA-N 1 0 293.327 0.486 10 5 CCBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C[NH3+] ZINC000602594085 362699110 /nfs/dbraw/zinc/69/91/10/362699110.db2.gz PJMIXNWYAZHSFG-BDAKNGLRSA-N 1 0 266.301 0.600 10 5 CCBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037810245 348208600 /nfs/dbraw/zinc/20/86/00/348208600.db2.gz QHVFICBSLGBAEE-MNOVXSKESA-N 1 0 279.296 0.276 10 5 CCBERO CC(C)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000070463572 348890890 /nfs/dbraw/zinc/89/08/90/348890890.db2.gz ZFYPLSUMYZZVES-SECBINFHSA-N 1 0 267.289 0.484 10 5 CCBERO COc1cccc(NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000135049076 350383185 /nfs/dbraw/zinc/38/31/85/350383185.db2.gz OCHSDCGDBORXLR-UHFFFAOYSA-N 1 0 294.311 0.447 10 5 CCBERO CNC(=O)c1ccc(NC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000213353491 351931805 /nfs/dbraw/zinc/93/18/05/351931805.db2.gz STJKLPDKUDJUPT-ZETCQYMHSA-N 1 0 252.274 0.714 10 5 CCBERO CNC(=O)c1ccc(NC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000213353548 351931950 /nfs/dbraw/zinc/93/19/50/351931950.db2.gz STJKLPDKUDJUPT-SSDOTTSWSA-N 1 0 252.274 0.714 10 5 CCBERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000229584615 352092140 /nfs/dbraw/zinc/09/21/40/352092140.db2.gz GAWCRWDIHFZINC-WCBMZHEXSA-N 1 0 266.301 0.804 10 5 CCBERO Cc1nn(C)c(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000235969279 352190474 /nfs/dbraw/zinc/19/04/74/352190474.db2.gz UEULTGVHYNEIPO-QMMMGPOBSA-N 1 0 255.278 0.037 10 5 CCBERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262057321 352574029 /nfs/dbraw/zinc/57/40/29/352574029.db2.gz AOHPAYNPVQAHAY-JQWIXIFHSA-N 1 0 279.296 0.213 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408144345 357938404 /nfs/dbraw/zinc/93/84/04/357938404.db2.gz JKNALNDYDJLERM-GXSJLCMTSA-N 1 0 293.327 0.495 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408144346 357938520 /nfs/dbraw/zinc/93/85/20/357938520.db2.gz JKNALNDYDJLERM-KOLCDFICSA-N 1 0 293.327 0.495 10 5 CCBERO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](C[NH3+])C(F)(F)F ZINC000595994683 360768684 /nfs/dbraw/zinc/76/86/84/360768684.db2.gz IPTSZIJVGIFETI-SSDOTTSWSA-N 1 0 280.206 0.885 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000599013237 361555785 /nfs/dbraw/zinc/55/57/85/361555785.db2.gz YLGFVHSLCADGHS-NWDGAFQWSA-N 1 0 252.270 0.834 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666510 389625256 /nfs/dbraw/zinc/62/52/56/389625256.db2.gz WWGTYMXDFIHXRF-LDYMZIIASA-N 1 0 280.284 0.297 10 5 CCBERO CCc1nn(C)c(NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000390090255 389772534 /nfs/dbraw/zinc/77/25/34/389772534.db2.gz DUSZKUKVBJSWDW-SECBINFHSA-N 1 0 283.332 0.681 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000420258079 389974467 /nfs/dbraw/zinc/97/44/67/389974467.db2.gz XDBFPXABOIQIBU-RCOVLWMOSA-N 1 0 272.692 0.635 10 5 CCBERO [NH3+]Cc1ccc(OCC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000037299986 173105057 /nfs/dbraw/zinc/10/50/57/173105057.db2.gz IUBYRZROPBLARJ-UHFFFAOYSA-N 1 0 265.269 0.711 10 5 CCBERO Cc1cc(N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000038031628 174025948 /nfs/dbraw/zinc/02/59/48/174025948.db2.gz DSQSEUKRJJDZSC-UHFFFAOYSA-N 1 0 292.339 0.771 10 5 CCBERO C[C@@H]1C[N@H+](C)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000408431735 274333785 /nfs/dbraw/zinc/33/37/85/274333785.db2.gz BGJTZJFICXHGLM-SECBINFHSA-N 1 0 276.300 0.778 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382456509 336090640 /nfs/dbraw/zinc/09/06/40/336090640.db2.gz JSJONLWEQLTDPS-YUMQZZPRSA-N 1 0 279.300 0.628 10 5 CCBERO C[C@H](C[NH3+])N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000382972475 336100345 /nfs/dbraw/zinc/10/03/45/336100345.db2.gz FOUJEMHWYQGCGL-MRVPVSSYSA-N 1 0 287.341 0.782 10 5 CCBERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000261788263 536403507 /nfs/dbraw/zinc/40/35/07/536403507.db2.gz QQAUAXGKBYRXTE-SECBINFHSA-N 1 0 287.341 0.789 10 5 CCBERO Cc1ccc(OC[C@@H](O)C[NH2+]C2CC2)c([N+](=O)[O-])n1 ZINC000050440809 525430824 /nfs/dbraw/zinc/43/08/24/525430824.db2.gz PFXJQSZTQOZBNU-JTQLQIEISA-N 1 0 267.285 0.790 10 5 CCBERO COC[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262393254 536660483 /nfs/dbraw/zinc/66/04/83/536660483.db2.gz YZKRIEQKXYZLCI-SNVBAGLBSA-N 1 0 287.703 0.838 10 5 CCBERO CC[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000117324932 615916531 /nfs/dbraw/zinc/91/65/31/615916531.db2.gz WDVHSCRCQWUCBH-LBPRGKRZSA-N 1 0 297.359 0.791 10 5 CCBERO Cc1cnc(NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000090692539 349441973 /nfs/dbraw/zinc/44/19/73/349441973.db2.gz CPXNIANGEYWEIN-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH2+]CC2)c1 ZINC000094663236 349572316 /nfs/dbraw/zinc/57/23/16/349572316.db2.gz KAPNPWONGDOWGG-UHFFFAOYSA-N 1 0 278.312 0.747 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CC[NH2+]C2)nc1 ZINC000095091915 349589861 /nfs/dbraw/zinc/58/98/61/349589861.db2.gz AHJUOLRKGRYPPT-QMMMGPOBSA-N 1 0 257.271 0.125 10 5 CCBERO C[NH2+]CCOCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000600951481 362097964 /nfs/dbraw/zinc/09/79/64/362097964.db2.gz KFZONYOVCVZRTH-UHFFFAOYSA-N 1 0 254.290 0.946 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404083246 290765792 /nfs/dbraw/zinc/76/57/92/290765792.db2.gz QCQQAFPINRYVKC-RKDXNWHRSA-N 1 0 281.268 0.391 10 5 CCBERO C[C@H]([NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000040835098 348244308 /nfs/dbraw/zinc/24/43/08/348244308.db2.gz VYGJFEMPKQYPAT-JTQLQIEISA-N 1 0 293.327 0.376 10 5 CCBERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000066050106 348731913 /nfs/dbraw/zinc/73/19/13/348731913.db2.gz PHUQWWGVCXFFSJ-LLVKDONJSA-N 1 0 295.343 0.700 10 5 CCBERO C[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000063171522 348680592 /nfs/dbraw/zinc/68/05/92/348680592.db2.gz IRKLOGSHXAYDGU-LURJTMIESA-N 1 0 253.262 0.238 10 5 CCBERO [NH3+]C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000132250286 350301576 /nfs/dbraw/zinc/30/15/76/350301576.db2.gz SUPMWYPJMKYLJB-UHFFFAOYSA-N 1 0 279.296 0.719 10 5 CCBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000245927169 352341688 /nfs/dbraw/zinc/34/16/88/352341688.db2.gz XRTJPDKMZLXTIK-RKDXNWHRSA-N 1 0 281.316 0.776 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000284521278 353555833 /nfs/dbraw/zinc/55/58/33/353555833.db2.gz KCRLPRRRPFSKCZ-ZJUUUORDSA-N 1 0 281.316 0.238 10 5 CCBERO Cc1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000299537421 354025908 /nfs/dbraw/zinc/02/59/08/354025908.db2.gz GGZOPHYFBIQJHJ-SECBINFHSA-N 1 0 279.300 0.547 10 5 CCBERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300590671 354065999 /nfs/dbraw/zinc/06/59/99/354065999.db2.gz UXSZNAKSYWEPAO-USWWRNFRSA-N 1 0 268.317 0.930 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592549305 359882248 /nfs/dbraw/zinc/88/22/48/359882248.db2.gz YAZYDNZVOBWHHI-XVKPBYJWSA-N 1 0 299.714 0.558 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1C ZINC000596028914 360778003 /nfs/dbraw/zinc/77/80/03/360778003.db2.gz MVJAXZGVDRUOIQ-BXKDBHETSA-N 1 0 281.312 0.904 10 5 CCBERO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301484674 201024152 /nfs/dbraw/zinc/02/41/52/201024152.db2.gz VRQIUBLAVLKMGL-UHFFFAOYSA-N 1 0 266.301 0.692 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415496731 389687834 /nfs/dbraw/zinc/68/78/34/389687834.db2.gz GTPKQFABEQEJJL-GZMMTYOYSA-N 1 0 280.284 0.297 10 5 CCBERO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420252989 389973854 /nfs/dbraw/zinc/97/38/54/389973854.db2.gz OZVDYFPODPCDJY-GMSGAONNSA-N 1 0 255.249 0.726 10 5 CCBERO CCC[NH2+]C[C@H](O)COc1cccnc1[N+](=O)[O-] ZINC000034978734 171911800 /nfs/dbraw/zinc/91/18/00/171911800.db2.gz KSGJLONYJPTYQC-VIFPVBQESA-N 1 0 255.274 0.729 10 5 CCBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084638 174095260 /nfs/dbraw/zinc/09/52/60/174095260.db2.gz XCLGOHBZGJBYLH-SNVBAGLBSA-N 1 0 286.309 0.619 10 5 CCBERO CCn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397056 176150996 /nfs/dbraw/zinc/15/09/96/176150996.db2.gz OSNXRCAIHLRYAH-SECBINFHSA-N 1 0 266.301 0.898 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284540175 277154813 /nfs/dbraw/zinc/15/48/13/277154813.db2.gz LQQCLHYCJXZYED-NEPJUHHUSA-N 1 0 278.312 0.899 10 5 CCBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000381695252 336070983 /nfs/dbraw/zinc/07/09/83/336070983.db2.gz GCRAWLYGHHIDHW-RQJHMYQMSA-N 1 0 252.274 0.841 10 5 CCBERO C[NH+](C)C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CCO1 ZINC000152998758 615947190 /nfs/dbraw/zinc/94/71/90/615947190.db2.gz UJCTVFCVSQKDEN-JTQLQIEISA-N 1 0 269.305 0.011 10 5 CCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1C[NH2+]C1 ZINC000220319108 625492668 /nfs/dbraw/zinc/49/26/68/625492668.db2.gz YBUJIOPDYZCJRB-UHFFFAOYSA-N 1 0 271.298 0.093 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)nc1 ZINC000095091919 349590212 /nfs/dbraw/zinc/59/02/12/349590212.db2.gz CNNMFTBAHZBEIA-VIFPVBQESA-N 1 0 285.325 0.906 10 5 CCBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095072335 349586962 /nfs/dbraw/zinc/58/69/62/349586962.db2.gz QLBYNRYQSMSGRY-QMMMGPOBSA-N 1 0 286.313 0.102 10 5 CCBERO CC[C@@H]([NH3+])CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000111304649 349771357 /nfs/dbraw/zinc/77/13/57/349771357.db2.gz DSNYKWKDIZJRMC-SSDOTTSWSA-N 1 0 277.284 0.981 10 5 CCBERO C[NH2+]CCOCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000600954114 362099593 /nfs/dbraw/zinc/09/95/93/362099593.db2.gz OJJYJDCGZQPKTC-UHFFFAOYSA-N 1 0 268.317 0.970 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262220429 137031360 /nfs/dbraw/zinc/03/13/60/137031360.db2.gz JMLCTQQFMYQQQS-RDDDGLTNSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262252135 137033411 /nfs/dbraw/zinc/03/34/11/137033411.db2.gz LQWWHWFMEXLNFP-PWSUYJOCSA-N 1 0 279.296 0.213 10 5 CCBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263193654 137059980 /nfs/dbraw/zinc/05/99/80/137059980.db2.gz IEZVEGHNDIAYKA-YPMHNXCESA-N 1 0 295.339 0.663 10 5 CCBERO C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783413 348514767 /nfs/dbraw/zinc/51/47/67/348514767.db2.gz RIZQPQZMKHGOMU-QMMMGPOBSA-N 1 0 289.295 0.629 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000121970697 350060748 /nfs/dbraw/zinc/06/07/48/350060748.db2.gz ATRCQDFPZANYPO-NSHDSACASA-N 1 0 264.329 0.982 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864330 350869817 /nfs/dbraw/zinc/86/98/17/350869817.db2.gz OFPKEJQNEBIRNW-SNVBAGLBSA-N 1 0 281.316 0.262 10 5 CCBERO C[C@@H]([NH3+])CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123481763 187094507 /nfs/dbraw/zinc/09/45/07/187094507.db2.gz WAYCDDZYUBJTOI-SSDOTTSWSA-N 1 0 291.304 0.750 10 5 CCBERO Cc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000264961061 352611088 /nfs/dbraw/zinc/61/10/88/352611088.db2.gz NKUJDIYRWJFCKX-WPRPVWTQSA-N 1 0 293.327 0.935 10 5 CCBERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262140464 352582000 /nfs/dbraw/zinc/58/20/00/352582000.db2.gz HDQZGKMFPYGOSE-MWLCHTKSSA-N 1 0 279.296 0.213 10 5 CCBERO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000311804507 354204210 /nfs/dbraw/zinc/20/42/10/354204210.db2.gz KYCBJZGAACVXEA-WCBMZHEXSA-N 1 0 265.317 0.958 10 5 CCBERO C[N@@H+]1CCO[C@H]2CCN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000285051869 283031871 /nfs/dbraw/zinc/03/18/71/283031871.db2.gz OGBPYLBLCLWLMC-RYUDHWBXSA-N 1 0 278.312 0.899 10 5 CCBERO C[NH+](C)C[C@](C)(O)CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302021851 201302632 /nfs/dbraw/zinc/30/26/32/201302632.db2.gz FWFSSTBFYCVJNF-CYBMUJFWSA-N 1 0 283.328 0.812 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420252810 389973907 /nfs/dbraw/zinc/97/39/07/389973907.db2.gz OQGNTSOMMGSIJO-GZMMTYOYSA-N 1 0 267.285 0.596 10 5 CCBERO O=[N+]([O-])c1ccccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420401049 389997307 /nfs/dbraw/zinc/99/73/07/389997307.db2.gz GBXFKFTZWBKUOU-QWHCGFSZSA-N 1 0 263.297 0.767 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095091947 184941009 /nfs/dbraw/zinc/94/10/09/184941009.db2.gz GJXMIFJVUGKLLU-HUTHGQBESA-N 1 0 255.299 0.849 10 5 CCBERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000284815296 196136799 /nfs/dbraw/zinc/13/67/99/196136799.db2.gz LGNGWAPZKXRVBF-CYBMUJFWSA-N 1 0 279.296 0.407 10 5 CCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000191804996 227179225 /nfs/dbraw/zinc/17/92/25/227179225.db2.gz FFKVGJXALWSETG-JTQLQIEISA-N 1 0 293.327 0.731 10 5 CCBERO [NH3+]C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000165801732 295260630 /nfs/dbraw/zinc/26/06/30/295260630.db2.gz USIZMAQQJCQXQC-MRVPVSSYSA-N 1 0 255.249 0.898 10 5 CCBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000183234731 525376136 /nfs/dbraw/zinc/37/61/36/525376136.db2.gz LTHPXOIXGOPQOS-CMPLNLGQSA-N 1 0 281.312 0.914 10 5 CCBERO NC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062542177 526954619 /nfs/dbraw/zinc/95/46/19/526954619.db2.gz WJMFVSZLSOIMLZ-QMMMGPOBSA-N 1 0 257.221 0.315 10 5 CCBERO O=C1CCc2cc(OC3C[NH2+]C3)c([N+](=O)[O-])cc2N1 ZINC000062810121 526997325 /nfs/dbraw/zinc/99/73/25/526997325.db2.gz HQDBQZSSHSNXBX-UHFFFAOYSA-N 1 0 263.253 0.830 10 5 CCBERO O=[N+]([O-])c1cnn(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246894354 649693688 /nfs/dbraw/zinc/69/36/88/649693688.db2.gz BUBXXQJHWKXQPI-JTQLQIEISA-N 1 0 251.290 0.529 10 5 CCBERO CCc1nn(C)c(NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000091559552 349467561 /nfs/dbraw/zinc/46/75/61/349467561.db2.gz NOALUGLNHHKTRM-UHFFFAOYSA-N 1 0 296.375 0.598 10 5 CCBERO Cc1nc(N(C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000600955724 362100486 /nfs/dbraw/zinc/10/04/86/362100486.db2.gz FRDFHPPZSGYSEM-UHFFFAOYSA-N 1 0 254.290 0.710 10 5 CCBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C[NH3+] ZINC000602594089 362698793 /nfs/dbraw/zinc/69/87/93/362698793.db2.gz PJMIXNWYAZHSFG-RKDXNWHRSA-N 1 0 266.301 0.600 10 5 CCBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000602724234 362772104 /nfs/dbraw/zinc/77/21/04/362772104.db2.gz LQOORWYTXSOJDX-STQMWFEESA-N 1 0 266.297 0.877 10 5 CCBERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000263252628 137061706 /nfs/dbraw/zinc/06/17/06/137061706.db2.gz QBWONCSMSSDSHP-YPMHNXCESA-N 1 0 265.313 0.573 10 5 CCBERO O=[N+]([O-])c1cccc(CNCCC[NH2+]CCO)c1 ZINC000013733073 348030596 /nfs/dbraw/zinc/03/05/96/348030596.db2.gz WDRFSXGSMVSPDC-UHFFFAOYSA-N 1 0 253.302 0.656 10 5 CCBERO O=[N+]([O-])c1ccc(C[N+]23CN4CN(CN(C4)C2)C3)o1 ZINC000019324721 348060204 /nfs/dbraw/zinc/06/02/04/348060204.db2.gz FIQDLVQLBKGEMZ-UHFFFAOYSA-N 1 0 266.281 0.196 10 5 CCBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000124306829 350094547 /nfs/dbraw/zinc/09/45/47/350094547.db2.gz DIRUABYJVNWOGF-NSHDSACASA-N 1 0 268.317 0.804 10 5 CCBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000311581559 354201939 /nfs/dbraw/zinc/20/19/39/354201939.db2.gz OPOSKLPXFGHTKM-CABZTGNLSA-N 1 0 263.301 0.950 10 5 CCBERO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000311804505 354204455 /nfs/dbraw/zinc/20/44/55/354204455.db2.gz KYCBJZGAACVXEA-PSASIEDQSA-N 1 0 265.317 0.958 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195321373 296187258 /nfs/dbraw/zinc/18/72/58/296187258.db2.gz BHTWTQAWASHIPI-VIFPVBQESA-N 1 0 292.295 0.616 10 5 CCBERO O=[N+]([O-])c1ccc2[nH]c([S@@](=O)[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092108 285141459 /nfs/dbraw/zinc/14/14/59/285141459.db2.gz WIMCBOWXHVIUDZ-WPCRTTGESA-N 1 0 280.309 0.941 10 5 CCBERO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000394560912 389776170 /nfs/dbraw/zinc/77/61/70/389776170.db2.gz KTNHHBRDLJXMRC-NKWVEPMBSA-N 1 0 288.329 0.390 10 5 CCBERO Cc1cccc(NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420236718 389970454 /nfs/dbraw/zinc/97/04/54/389970454.db2.gz GLGNURKOCMPOTI-MWLCHTKSSA-N 1 0 251.286 0.895 10 5 CCBERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262057323 143934416 /nfs/dbraw/zinc/93/44/16/143934416.db2.gz AOHPAYNPVQAHAY-PWSUYJOCSA-N 1 0 279.296 0.213 10 5 CCBERO C[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@@H]1C[NH3+] ZINC000070178440 299852180 /nfs/dbraw/zinc/85/21/80/299852180.db2.gz CSIQIYAYUQHVNK-DTWKUNHWSA-N 1 0 253.306 0.892 10 5 CCBERO O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566104033 327135808 /nfs/dbraw/zinc/13/58/08/327135808.db2.gz XTDJWVGJRBOVRY-NWDGAFQWSA-N 1 0 277.280 0.408 10 5 CCBERO C[C@@H](C[NH3+])N(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000382996483 336101306 /nfs/dbraw/zinc/10/13/06/336101306.db2.gz KOAFZMPESOOQHY-ZETCQYMHSA-N 1 0 252.274 0.477 10 5 CCBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000420245741 534880337 /nfs/dbraw/zinc/88/03/37/534880337.db2.gz RELZGSLLHDOMGK-XPUUQOCRSA-N 1 0 295.324 0.592 10 5 CCBERO COCC[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000117323084 616374501 /nfs/dbraw/zinc/37/45/01/616374501.db2.gz QOROWTFXZRIBIK-LLVKDONJSA-N 1 0 283.332 0.401 10 5 CCBERO O=[N+]([O-])c1cnn(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000014186991 645010261 /nfs/dbraw/zinc/01/02/61/645010261.db2.gz BUBXXQJHWKXQPI-SNVBAGLBSA-N 1 0 251.290 0.529 10 5 CCBERO COC(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000095082190 349588911 /nfs/dbraw/zinc/58/89/11/349588911.db2.gz NTZOZPNLJKLRHG-LLVKDONJSA-N 1 0 268.269 0.781 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600956664 362100507 /nfs/dbraw/zinc/10/05/07/362100507.db2.gz WOYKKCOTVWQKDL-TXEJJXNPSA-N 1 0 265.317 0.764 10 5 CCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCOCC[NH3+] ZINC000600955713 362100537 /nfs/dbraw/zinc/10/05/37/362100537.db2.gz FEFPUNFKSYNTBY-UHFFFAOYSA-N 1 0 271.321 0.531 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000262165023 137028681 /nfs/dbraw/zinc/02/86/81/137028681.db2.gz UDGZOCBIOCFOTA-SKDRFNHKSA-N 1 0 269.276 0.404 10 5 CCBERO Cc1nn(C)c(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000262174866 137029771 /nfs/dbraw/zinc/02/97/71/137029771.db2.gz YSXPIUAIGYCBSC-VIFPVBQESA-N 1 0 295.343 0.836 10 5 CCBERO Cc1sc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262274437 137034358 /nfs/dbraw/zinc/03/43/58/137034358.db2.gz NGKUKJHLIIHVQK-IONNQARKSA-N 1 0 285.325 0.275 10 5 CCBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037810243 348208444 /nfs/dbraw/zinc/20/84/44/348208444.db2.gz QHVFICBSLGBAEE-QWRGUYRKSA-N 1 0 279.296 0.276 10 5 CCBERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000062984722 348674364 /nfs/dbraw/zinc/67/43/64/348674364.db2.gz KMKWTHSEGCLELN-SNVBAGLBSA-N 1 0 278.312 0.953 10 5 CCBERO O=[N+]([O-])c1ccn(CCN2CCC[N@@H+](C3CC3)CC2)n1 ZINC000176245810 351163777 /nfs/dbraw/zinc/16/37/77/351163777.db2.gz DSXKZJMHFLRLGH-UHFFFAOYSA-N 1 0 279.344 0.961 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000408063401 357897473 /nfs/dbraw/zinc/89/74/73/357897473.db2.gz RBJIMKKZHBPMPF-NEPJUHHUSA-N 1 0 294.311 0.468 10 5 CCBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000408071020 357902466 /nfs/dbraw/zinc/90/24/66/357902466.db2.gz OSGNVSZCJUWCET-NXEZZACHSA-N 1 0 267.333 0.853 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592549301 359882623 /nfs/dbraw/zinc/88/26/23/359882623.db2.gz YAZYDNZVOBWHHI-OIBJUYFYSA-N 1 0 299.714 0.558 10 5 CCBERO CN(CC(C)(C)[NH3+])c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000594693927 360360322 /nfs/dbraw/zinc/36/03/22/360360322.db2.gz ZADOPLRHDWVKIN-UHFFFAOYSA-N 1 0 267.289 0.262 10 5 CCBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000599012584 361555320 /nfs/dbraw/zinc/55/53/20/361555320.db2.gz UBAHSJFALFIDHL-BDAKNGLRSA-N 1 0 258.299 0.896 10 5 CCBERO COC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136484955 284888141 /nfs/dbraw/zinc/88/81/41/284888141.db2.gz DGTLVQAINPDSGP-MRVPVSSYSA-N 1 0 269.257 0.516 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000095091846 285167464 /nfs/dbraw/zinc/16/74/64/285167464.db2.gz CLNQWAIUORHOSG-ZETCQYMHSA-N 1 0 257.271 0.125 10 5 CCBERO C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@H]1C[NH3+] ZINC000252463789 296400689 /nfs/dbraw/zinc/40/06/89/296400689.db2.gz CSIQIYAYUQHVNK-BDAKNGLRSA-N 1 0 253.306 0.892 10 5 CCBERO NC(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000024659596 388809097 /nfs/dbraw/zinc/80/90/97/388809097.db2.gz QIZBACSOYVYNIA-LLVKDONJSA-N 1 0 290.323 0.978 10 5 CCBERO CCOc1cccc(NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420240618 389971161 /nfs/dbraw/zinc/97/11/61/389971161.db2.gz AEBJSTMOONLAGS-GXSJLCMTSA-N 1 0 281.312 0.986 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)[C@@H]1CCC[NH2+]C1 ZINC000095091874 184941107 /nfs/dbraw/zinc/94/11/07/184941107.db2.gz QCZNWFTWNFCLLN-CQLKUDPESA-N 1 0 255.299 0.849 10 5 CCBERO Cc1n[nH]c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000263994779 131375073 /nfs/dbraw/zinc/37/50/73/131375073.db2.gz HYCHBLJQYCPTLW-MRVPVSSYSA-N 1 0 267.289 0.402 10 5 CCBERO O=[N+]([O-])c1ccc(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420399079 275035184 /nfs/dbraw/zinc/03/51/84/275035184.db2.gz BITHJNLUYJGXQR-UONOGXRCSA-N 1 0 277.324 0.810 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000408027867 277121394 /nfs/dbraw/zinc/12/13/94/277121394.db2.gz PJIQSYIVIQCUOS-NWDGAFQWSA-N 1 0 278.312 0.899 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC000301685134 277125615 /nfs/dbraw/zinc/12/56/15/277125615.db2.gz WPQITLZHACXUPY-GHMZBOCLSA-N 1 0 264.285 0.509 10 5 CCBERO [NH3+]CCc1nccn1-c1nc2sccn2c1[N+](=O)[O-] ZINC000052304529 527198590 /nfs/dbraw/zinc/19/85/90/527198590.db2.gz USRWJJZEKHZLPY-UHFFFAOYSA-N 1 0 278.297 0.991 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124479091 616247373 /nfs/dbraw/zinc/24/73/73/616247373.db2.gz JKSWDDPEHAXWSV-SNVBAGLBSA-N 1 0 295.299 0.582 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000132966317 647572155 /nfs/dbraw/zinc/57/21/55/647572155.db2.gz WIPQTXAKAHFPRF-KOLCDFICSA-N 1 0 266.301 0.851 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)C1CC[NH2+]CC1 ZINC000095091879 349590051 /nfs/dbraw/zinc/59/00/51/349590051.db2.gz SDRQVOWUQCVPEI-KRWDZBQOSA-N 1 0 255.299 0.849 10 5 CCBERO CNS(=O)(=O)c1ccc(NC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000111302538 349770233 /nfs/dbraw/zinc/77/02/33/349770233.db2.gz WPATVDWIZTUCAB-SSDOTTSWSA-N 1 0 288.329 0.262 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261701014 137015793 /nfs/dbraw/zinc/01/57/93/137015793.db2.gz IBOFWKPGVMOAGF-SNVBAGLBSA-N 1 0 267.333 0.888 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262329137 137038218 /nfs/dbraw/zinc/03/82/18/137038218.db2.gz SDPCZLGGZDHSFC-KWQFWETISA-N 1 0 299.714 0.558 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262337581 137038900 /nfs/dbraw/zinc/03/89/00/137038900.db2.gz SUIPGGBVBYQGGB-RDDDGLTNSA-N 1 0 299.714 0.558 10 5 CCBERO C[NH2+][C@H](C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000054076362 348541184 /nfs/dbraw/zinc/54/11/84/348541184.db2.gz BTACPEDXIVIPOP-LLVKDONJSA-N 1 0 292.339 0.851 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000420236103 389970227 /nfs/dbraw/zinc/97/02/27/389970227.db2.gz FSXBDILPEOJIBG-RDDDGLTNSA-N 1 0 285.275 0.735 10 5 CCBERO CNS(=O)(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000035339739 172132427 /nfs/dbraw/zinc/13/24/27/172132427.db2.gz RYFCARIEAIHRPH-UHFFFAOYSA-N 1 0 288.329 0.264 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)o1 ZINC000038083386 174092992 /nfs/dbraw/zinc/09/29/92/174092992.db2.gz UCIKDOFOBHPMJG-QMMMGPOBSA-N 1 0 274.298 0.712 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](CC[NH3+])C(F)F ZINC000383325151 336107221 /nfs/dbraw/zinc/10/72/21/336107221.db2.gz SWVXHVLEOWPXTR-SSDOTTSWSA-N 1 0 289.242 0.483 10 5 CCBERO C[C@@]([NH3+])(COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471991 525751643 /nfs/dbraw/zinc/75/16/43/525751643.db2.gz KNJWXQOBGPOWPG-SNVBAGLBSA-N 1 0 273.676 0.830 10 5 CCBERO NC(=O)[C@@H]([NH3+])CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000062595791 526954670 /nfs/dbraw/zinc/95/46/70/526954670.db2.gz FXNGRZZDHLTCST-ZETCQYMHSA-N 1 0 273.676 0.830 10 5 CCBERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000156536106 636865281 /nfs/dbraw/zinc/86/52/81/636865281.db2.gz KFLXNQIETLFIDX-XCBNKYQSSA-N 1 0 293.283 0.683 10 5 CCBERO C[C@@H](C[NH3+])Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000111302756 644104996 /nfs/dbraw/zinc/10/49/96/644104996.db2.gz QRDPGLZJEKTUHB-LURJTMIESA-N 1 0 266.257 0.685 10 5 CCBERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000054076364 348541717 /nfs/dbraw/zinc/54/17/17/348541717.db2.gz ROORLTANUSQOPR-SNVBAGLBSA-N 1 0 293.327 0.246 10 5 CCBERO O=[N+]([O-])c1ccc2ncnc(N3CC[NH2+]CC3)c2c1 ZINC000081588681 349277197 /nfs/dbraw/zinc/27/71/97/349277197.db2.gz ZPZIMSAAFOELPQ-UHFFFAOYSA-N 1 0 259.269 0.948 10 5 CCBERO C[C@@H](O)C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000176232392 351162847 /nfs/dbraw/zinc/16/28/47/351162847.db2.gz KSSTXGAEVMDTML-NWDGAFQWSA-N 1 0 297.359 0.178 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195053898 351895558 /nfs/dbraw/zinc/89/55/58/351895558.db2.gz KTAXWJKMKJTBAV-LLVKDONJSA-N 1 0 293.327 0.488 10 5 CCBERO CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226625184 352031105 /nfs/dbraw/zinc/03/11/05/352031105.db2.gz XAZXZWNRXPULEA-JTQLQIEISA-N 1 0 290.327 0.550 10 5 CCBERO Cc1nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228375359 352074092 /nfs/dbraw/zinc/07/40/92/352074092.db2.gz YTEXTXCAQDUIID-GZMMTYOYSA-N 1 0 266.301 0.851 10 5 CCBERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000324484104 354230643 /nfs/dbraw/zinc/23/06/43/354230643.db2.gz JRVZDOBXYXNZCQ-GHMZBOCLSA-N 1 0 286.332 0.149 10 5 CCBERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000324484111 354230861 /nfs/dbraw/zinc/23/08/61/354230861.db2.gz JRVZDOBXYXNZCQ-WDEREUQCSA-N 1 0 286.332 0.149 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000592549106 359882723 /nfs/dbraw/zinc/88/27/23/359882723.db2.gz RXWLZORTKDXAMK-GXSJLCMTSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000592549107 359883046 /nfs/dbraw/zinc/88/30/46/359883046.db2.gz RXWLZORTKDXAMK-KOLCDFICSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc2[nH]c([S@](=O)[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092107 285141423 /nfs/dbraw/zinc/14/14/23/285141423.db2.gz WIMCBOWXHVIUDZ-YLVJLNSGSA-N 1 0 280.309 0.941 10 5 CCBERO COc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH3+])CC2)c1 ZINC000397051113 285233980 /nfs/dbraw/zinc/23/39/80/285233980.db2.gz KTWWOBKJAGITCD-UHFFFAOYSA-N 1 0 281.312 0.893 10 5 CCBERO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420249050 389972983 /nfs/dbraw/zinc/97/29/83/389972983.db2.gz IOEJQJUMADMOSI-WRWORJQWSA-N 1 0 255.249 0.726 10 5 CCBERO O=[N+]([O-])c1cc(F)c(NC[C@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000420252553 389973959 /nfs/dbraw/zinc/97/39/59/389973959.db2.gz OANSOWINQQMPKT-LHLIQPBNSA-N 1 0 273.239 0.865 10 5 CCBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000031946545 134761726 /nfs/dbraw/zinc/76/17/26/134761726.db2.gz UCVXYJADPWAJGS-JTQLQIEISA-N 1 0 293.327 0.281 10 5 CCBERO O=C(CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000020362628 171161821 /nfs/dbraw/zinc/16/18/21/171161821.db2.gz QFAKHFVJQNKJSH-UHFFFAOYSA-N 1 0 264.285 0.439 10 5 CCBERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284843534 196142838 /nfs/dbraw/zinc/14/28/38/196142838.db2.gz NWCKQQHAXHBMEG-CYBMUJFWSA-N 1 0 279.296 0.407 10 5 CCBERO COc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000072237707 176346696 /nfs/dbraw/zinc/34/66/96/176346696.db2.gz HMCUCQJWFQEPNC-UHFFFAOYSA-N 1 0 263.257 0.890 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1-n1nnnc1C[NH3+] ZINC000054744300 525452321 /nfs/dbraw/zinc/45/23/21/525452321.db2.gz MLHVBNRRCMKXSC-UHFFFAOYSA-N 1 0 250.218 0.038 10 5 CCBERO NC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062542178 526993727 /nfs/dbraw/zinc/99/37/27/526993727.db2.gz WJMFVSZLSOIMLZ-MRVPVSSYSA-N 1 0 257.221 0.315 10 5 CCBERO [NH3+]Cc1nnnn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000062493852 527267196 /nfs/dbraw/zinc/26/71/96/527267196.db2.gz ONDHRYCHHRFMDG-UHFFFAOYSA-N 1 0 254.637 0.683 10 5 CCBERO CCc1nn(C)c(N2C[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600961966 362102459 /nfs/dbraw/zinc/10/24/59/362102459.db2.gz XOURFSZTFRXOLP-IUCAKERBSA-N 1 0 267.333 0.922 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000263238905 137061428 /nfs/dbraw/zinc/06/14/28/137061428.db2.gz OILLAGNWEMRNGG-SKDRFNHKSA-N 1 0 285.731 0.918 10 5 CCBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH3+])n1 ZINC000166747685 350801695 /nfs/dbraw/zinc/80/16/95/350801695.db2.gz LPZQORSQXCENJT-UHFFFAOYSA-N 1 0 254.246 0.537 10 5 CCBERO O=[N+]([O-])c1c(NC[C@@H]2COCC[NH2+]2)nc2sccn21 ZINC000236415803 352195036 /nfs/dbraw/zinc/19/50/36/352195036.db2.gz LAXIJXKWNZZERW-SSDOTTSWSA-N 1 0 283.313 0.704 10 5 CCBERO O=[N+]([O-])c1cnn(CCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245409627 352320136 /nfs/dbraw/zinc/32/01/36/352320136.db2.gz NFLUOQXFGBOXFO-NSHDSACASA-N 1 0 265.317 0.571 10 5 CCBERO O=[N+]([O-])c1ccn(CCN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246184506 352352347 /nfs/dbraw/zinc/35/23/47/352352347.db2.gz KTQBPSDTAHTUQD-NSHDSACASA-N 1 0 265.317 0.571 10 5 CCBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000248389022 352437289 /nfs/dbraw/zinc/43/72/89/352437289.db2.gz FURRCTLVIIWOOV-FRRDWIJNSA-N 1 0 282.296 0.056 10 5 CCBERO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179175327 189174821 /nfs/dbraw/zinc/17/48/21/189174821.db2.gz XUISKSFLCWZTHS-NEPJUHHUSA-N 1 0 252.270 0.522 10 5 CCBERO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179172208 189174243 /nfs/dbraw/zinc/17/42/43/189174243.db2.gz IGECLWBEAGJWPZ-NEPJUHHUSA-N 1 0 282.296 0.401 10 5 CCBERO Cc1nn(C)c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000153169536 389296754 /nfs/dbraw/zinc/29/67/54/389296754.db2.gz KSTCXGOKZCMOGY-VHSXEESVSA-N 1 0 281.316 0.156 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666508 389624542 /nfs/dbraw/zinc/62/45/42/389624542.db2.gz WWGTYMXDFIHXRF-KCJUWKMLSA-N 1 0 280.284 0.297 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000420258998 389975020 /nfs/dbraw/zinc/97/50/20/389975020.db2.gz YDVBWONWLUQCFS-WRWORJQWSA-N 1 0 285.275 0.735 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420240581 389971199 /nfs/dbraw/zinc/97/11/99/389971199.db2.gz ABBVIKPANPODPU-SKDRFNHKSA-N 1 0 251.286 0.895 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)C1CC[NH2+]CC1 ZINC000095091878 184941486 /nfs/dbraw/zinc/94/14/86/184941486.db2.gz SDRQVOWUQCVPEI-QGZVFWFLSA-N 1 0 255.299 0.849 10 5 CCBERO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037029800 172895506 /nfs/dbraw/zinc/89/55/06/172895506.db2.gz LQCIPMYXLFIOKC-APPZFPTMSA-N 1 0 269.232 0.395 10 5 CCBERO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2nonc21 ZINC000107571440 275037012 /nfs/dbraw/zinc/03/70/12/275037012.db2.gz XUIYEXPFGIIKEG-OCAPTIKFSA-N 1 0 275.268 0.787 10 5 CCBERO C[C@@H](C[NH3+])N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000382972476 336100365 /nfs/dbraw/zinc/10/03/65/336100365.db2.gz FOUJEMHWYQGCGL-QMMMGPOBSA-N 1 0 287.341 0.782 10 5 CCBERO COc1ccc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC000062493846 523356115 /nfs/dbraw/zinc/35/61/15/523356115.db2.gz WMAVBRSBWZDROC-UHFFFAOYSA-N 1 0 250.218 0.038 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095091963 349589854 /nfs/dbraw/zinc/58/98/54/349589854.db2.gz SCJZRSICQAFXCO-CQLKUDPESA-N 1 0 255.299 0.707 10 5 CCBERO C[NH2+]CCOCCN(C)c1ncc([N+](=O)[O-])cn1 ZINC000600954267 362099439 /nfs/dbraw/zinc/09/94/39/362099439.db2.gz VINQHEGYZZRNKF-UHFFFAOYSA-N 1 0 255.278 0.057 10 5 CCBERO CN(CCOCC[NH3+])c1nc2sccn2c1[N+](=O)[O-] ZINC000600955971 362100493 /nfs/dbraw/zinc/10/04/93/362100493.db2.gz LFLNMZFLTVHLLI-UHFFFAOYSA-N 1 0 285.329 0.716 10 5 CCBERO CC[C@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174867315 529700267 /nfs/dbraw/zinc/70/02/67/529700267.db2.gz WZUKZSZXBBUOFS-ZDUSSCGKSA-N 1 0 297.359 0.180 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263276755 137062484 /nfs/dbraw/zinc/06/24/84/137062484.db2.gz SWTAHHODEHJXKF-CABZTGNLSA-N 1 0 285.731 0.918 10 5 CCBERO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263291696 137062849 /nfs/dbraw/zinc/06/28/49/137062849.db2.gz VTHGTZNKWQWLDM-CLDOCUBWSA-N 1 0 277.324 0.778 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263244933 137061301 /nfs/dbraw/zinc/06/13/01/137061301.db2.gz PEKOPDHSHQXXQY-AAEUAGOBSA-N 1 0 265.313 0.573 10 5 CCBERO O=[N+]([O-])c1ccc(CNCCC[NH2+]CCO)cc1 ZINC000013733061 348030540 /nfs/dbraw/zinc/03/05/40/348030540.db2.gz XUMYFTZWQQPGBY-UHFFFAOYSA-N 1 0 253.302 0.656 10 5 CCBERO O=c1[nH]cnc2cc(NC[C@H]3CCC[NH2+]3)c([N+](=O)[O-])cc21 ZINC000053255256 348524044 /nfs/dbraw/zinc/52/40/44/348524044.db2.gz GBPGGQWHSMAXNV-MRVPVSSYSA-N 1 0 289.295 0.995 10 5 CCBERO CN1CCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124486990 350099609 /nfs/dbraw/zinc/09/96/09/350099609.db2.gz KMSLRAMRXVPVCZ-MRVPVSSYSA-N 1 0 296.356 0.383 10 5 CCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](n3cncn3)C2)n1 ZINC000176231004 351163094 /nfs/dbraw/zinc/16/30/94/351163094.db2.gz OEUDJONQMREMNG-NSHDSACASA-N 1 0 291.315 0.720 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192806369 351799083 /nfs/dbraw/zinc/79/90/83/351799083.db2.gz UKOXRENHTOOCMH-SECBINFHSA-N 1 0 291.311 0.373 10 5 CCBERO O=[N+]([O-])c1c(NC[C@H]2COCC[NH2+]2)nc2sccn21 ZINC000236415942 352194833 /nfs/dbraw/zinc/19/48/33/352194833.db2.gz LAXIJXKWNZZERW-ZETCQYMHSA-N 1 0 283.313 0.704 10 5 CCBERO O=[N+]([O-])c1ccccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263281087 352592470 /nfs/dbraw/zinc/59/24/70/352592470.db2.gz UFXKGWOFATYFSZ-CMPLNLGQSA-N 1 0 251.286 0.265 10 5 CCBERO Cc1n[nH]c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000264961049 352611031 /nfs/dbraw/zinc/61/10/31/352611031.db2.gz NKUJDIYRWJFCKX-PSASIEDQSA-N 1 0 293.327 0.935 10 5 CCBERO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000311804506 354204126 /nfs/dbraw/zinc/20/41/26/354204126.db2.gz KYCBJZGAACVXEA-SCZZXKLOSA-N 1 0 265.317 0.958 10 5 CCBERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000324484108 354230920 /nfs/dbraw/zinc/23/09/20/354230920.db2.gz JRVZDOBXYXNZCQ-QWRGUYRKSA-N 1 0 286.332 0.149 10 5 CCBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592336771 359820373 /nfs/dbraw/zinc/82/03/73/359820373.db2.gz KKEBZZJIRDSCOI-MUWHJKNJSA-N 1 0 266.257 0.257 10 5 CCBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1[NH3+] ZINC000592341112 359821365 /nfs/dbraw/zinc/82/13/65/359821365.db2.gz RCSAKMAQEBFQSD-HZGVNTEJSA-N 1 0 266.257 0.115 10 5 CCBERO CNS(=O)(=O)c1ccc(N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000111302800 284645864 /nfs/dbraw/zinc/64/58/64/284645864.db2.gz IPWOTGUFCNGDSX-SSDOTTSWSA-N 1 0 288.329 0.262 10 5 CCBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193448853 389069616 /nfs/dbraw/zinc/06/96/16/389069616.db2.gz NOJZZZXVCSCLBP-SNVBAGLBSA-N 1 0 294.311 0.910 10 5 CCBERO C[C@H](C[C@H](C)[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000320655013 389122267 /nfs/dbraw/zinc/12/22/67/389122267.db2.gz HDUBMMGJXWWHOU-NKWVEPMBSA-N 1 0 267.289 0.626 10 5 CCBERO C[C@H]([NH3+])[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000394560905 389776155 /nfs/dbraw/zinc/77/61/55/389776155.db2.gz KTNHHBRDLJXMRC-BQBZGAKWSA-N 1 0 288.329 0.390 10 5 CCBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000394560917 389776174 /nfs/dbraw/zinc/77/61/74/389776174.db2.gz KTNHHBRDLJXMRC-RQJHMYQMSA-N 1 0 288.329 0.390 10 5 CCBERO C[C@H](C[NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000420214494 389966634 /nfs/dbraw/zinc/96/66/34/389966634.db2.gz IYWIILOIDJROQP-ZCFIWIBFSA-N 1 0 253.262 0.095 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420240576 389971387 /nfs/dbraw/zinc/97/13/87/389971387.db2.gz ABBVIKPANPODPU-BXKDBHETSA-N 1 0 251.286 0.895 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000095091851 184941491 /nfs/dbraw/zinc/94/14/91/184941491.db2.gz OQEWWIQXKHITGS-SECBINFHSA-N 1 0 285.325 0.906 10 5 CCBERO [NH3+]CCc1nnc(COc2ccccc2[N+](=O)[O-])[nH]1 ZINC000072236567 176345883 /nfs/dbraw/zinc/34/58/83/176345883.db2.gz HEJXYOJSSHYLDF-UHFFFAOYSA-N 1 0 263.257 0.793 10 5 CCBERO Cc1nn(C)c(N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301141148 274867781 /nfs/dbraw/zinc/86/77/81/274867781.db2.gz BLMBJYNYLWIVTO-VIFPVBQESA-N 1 0 253.306 0.777 10 5 CCBERO CC[NH2+]Cc1nnnn1-c1cc([N+](=O)[O-])ccc1F ZINC000054745090 520024615 /nfs/dbraw/zinc/02/46/15/520024615.db2.gz BZXCIPRLAOGFRT-UHFFFAOYSA-N 1 0 266.236 0.819 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])C1 ZINC000050442634 527034615 /nfs/dbraw/zinc/03/46/15/527034615.db2.gz KDGSWPVMHJLSHS-ZETCQYMHSA-N 1 0 265.273 0.016 10 5 CCBERO COCC[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])C[C@H]1C ZINC000117323098 616373992 /nfs/dbraw/zinc/37/39/92/616373992.db2.gz ZUVXVUVAJKZMNC-LLVKDONJSA-N 1 0 283.332 0.401 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cc([N+](=O)[O-])cn1 ZINC000153223962 637688893 /nfs/dbraw/zinc/68/88/93/637688893.db2.gz RPZWMRSDDUCCJV-GHMZBOCLSA-N 1 0 265.317 0.917 10 5 CCBERO COC(=O)[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000095019783 649751667 /nfs/dbraw/zinc/75/16/67/649751667.db2.gz ABSSEJNTGMZFJX-GXSJLCMTSA-N 1 0 296.327 0.841 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)C[C@H]1CCC[NH2+]1 ZINC000095091886 349589885 /nfs/dbraw/zinc/58/98/85/349589885.db2.gz QMHURKRUCVCCCZ-CQLKUDPESA-N 1 0 255.299 0.849 10 5 CCBERO CC[C@@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000104209119 349711892 /nfs/dbraw/zinc/71/18/92/349711892.db2.gz XJQPKSXYRPRWFC-SSDOTTSWSA-N 1 0 288.329 0.391 10 5 CCBERO C[C@@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000111302629 349770255 /nfs/dbraw/zinc/77/02/55/349770255.db2.gz PZIUUYBNMBTOQC-SSDOTTSWSA-N 1 0 273.314 0.757 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262235092 137032198 /nfs/dbraw/zinc/03/21/98/137032198.db2.gz KLVQHGHKRIXOCC-CPCISQLKSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1sc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262273361 137034092 /nfs/dbraw/zinc/03/40/92/137034092.db2.gz NGKUKJHLIIHVQK-CBAPKCEASA-N 1 0 285.325 0.275 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263244938 137061277 /nfs/dbraw/zinc/06/12/77/137061277.db2.gz PEKOPDHSHQXXQY-WCQYABFASA-N 1 0 265.313 0.573 10 5 CCBERO CC[C@H]([NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111304620 186393612 /nfs/dbraw/zinc/39/36/12/186393612.db2.gz ZBUCYESFMSDOQU-QMMMGPOBSA-N 1 0 252.274 0.843 10 5 CCBERO C[NH+](C)C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176234649 351163008 /nfs/dbraw/zinc/16/30/08/351163008.db2.gz FATBRPGVDLBCLU-LLVKDONJSA-N 1 0 283.332 0.054 10 5 CCBERO C[N@H+]1C[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC000193646450 351837872 /nfs/dbraw/zinc/83/78/72/351837872.db2.gz DREMHHZOBBOYGQ-PHIMTYICSA-N 1 0 265.317 0.285 10 5 CCBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000423633481 235024781 /nfs/dbraw/zinc/02/47/81/235024781.db2.gz BHHFZLKXLUOWPR-NXEZZACHSA-N 1 0 279.296 0.922 10 5 CCBERO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](C[NH3+])C(F)(F)F ZINC000595985794 360761745 /nfs/dbraw/zinc/76/17/45/360761745.db2.gz BNTHZGOVBBXYAV-LURJTMIESA-N 1 0 280.206 0.885 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCC12CC(C1)C[NH2+]2 ZINC000596027775 360778495 /nfs/dbraw/zinc/77/84/95/360778495.db2.gz XOLQVFBYGBXOOO-UHFFFAOYSA-N 1 0 277.284 0.253 10 5 CCBERO C[NH2+]C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596032776 360778767 /nfs/dbraw/zinc/77/87/67/360778767.db2.gz OFMQQDTUVYSSKW-SSDOTTSWSA-N 1 0 288.329 0.262 10 5 CCBERO C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000070178624 388954857 /nfs/dbraw/zinc/95/48/57/388954857.db2.gz ZBMAMIVRZHZORQ-WCBMZHEXSA-N 1 0 251.290 0.948 10 5 CCBERO C[C@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000320655010 389122327 /nfs/dbraw/zinc/12/23/27/389122327.db2.gz HDUBMMGJXWWHOU-BQBZGAKWSA-N 1 0 267.289 0.626 10 5 CCBERO NC(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248771522 389249626 /nfs/dbraw/zinc/24/96/26/389249626.db2.gz QIZBACSOYVYNIA-NSHDSACASA-N 1 0 290.323 0.978 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666509 389624832 /nfs/dbraw/zinc/62/48/32/389624832.db2.gz WWGTYMXDFIHXRF-KWQFWETISA-N 1 0 280.284 0.297 10 5 CCBERO Cc1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420250138 389972888 /nfs/dbraw/zinc/97/28/88/389972888.db2.gz JRQWVHFFGSXHQO-SKDRFNHKSA-N 1 0 251.286 0.895 10 5 CCBERO [NH3+]C1CC(Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1 ZINC000036268678 172563617 /nfs/dbraw/zinc/56/36/17/172563617.db2.gz VUSVOAUJERHTIG-UHFFFAOYSA-N 1 0 262.269 0.991 10 5 CCBERO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000038079464 174089353 /nfs/dbraw/zinc/08/93/53/174089353.db2.gz IYVFFNAUUMEHJY-MRVPVSSYSA-N 1 0 253.258 0.437 10 5 CCBERO CN(c1[nH]cnc(=NN)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040656808 174365278 /nfs/dbraw/zinc/36/52/78/174365278.db2.gz KHGAAUTYLNOREX-UHFFFAOYSA-N 1 0 281.320 0.201 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285127704 303020946 /nfs/dbraw/zinc/02/09/46/303020946.db2.gz RYVMJYDPHKKZHY-VHSXEESVSA-N 1 0 281.316 0.238 10 5 CCBERO CC(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000054267742 519721769 /nfs/dbraw/zinc/72/17/69/519721769.db2.gz IGSLLPUFCHCGSI-UHFFFAOYSA-N 1 0 267.289 0.499 10 5 CCBERO C[C@]([NH3+])(COc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O ZINC000050471992 525150508 /nfs/dbraw/zinc/15/05/08/525150508.db2.gz KNJWXQOBGPOWPG-JTQLQIEISA-N 1 0 273.676 0.830 10 5 CCBERO C[C@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000111302627 349770686 /nfs/dbraw/zinc/77/06/86/349770686.db2.gz PZIUUYBNMBTOQC-ZETCQYMHSA-N 1 0 273.314 0.757 10 5 CCBERO Cc1cnc(N(C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600956557 362100339 /nfs/dbraw/zinc/10/03/39/362100339.db2.gz UYNXNROZDZNWND-UHFFFAOYSA-N 1 0 254.290 0.710 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263276756 137062520 /nfs/dbraw/zinc/06/25/20/137062520.db2.gz SWTAHHODEHJXKF-JOYOIKCWSA-N 1 0 285.731 0.918 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1C[NH2+]C[C@@H]1O ZINC000104235814 185938671 /nfs/dbraw/zinc/93/86/71/185938671.db2.gz OSGSXAMHYPDQKS-WCBMZHEXSA-N 1 0 258.661 0.960 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000089091310 349375041 /nfs/dbraw/zinc/37/50/41/349375041.db2.gz SHMYPJSYKXCVDH-WPRPVWTQSA-N 1 0 266.301 0.791 10 5 CCBERO COc1cc(N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000226621746 352030874 /nfs/dbraw/zinc/03/08/74/352030874.db2.gz JYQBNEGUSXAGJF-NSHDSACASA-N 1 0 280.328 0.683 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247000176 352392789 /nfs/dbraw/zinc/39/27/89/352392789.db2.gz FMLYASRXWMDUHM-QWRGUYRKSA-N 1 0 293.327 0.486 10 5 CCBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423636061 235024997 /nfs/dbraw/zinc/02/49/97/235024997.db2.gz FQQFBJFRPVEVMU-JOYOIKCWSA-N 1 0 279.296 0.922 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404083240 357814776 /nfs/dbraw/zinc/81/47/76/357814776.db2.gz QCQQAFPINRYVKC-BDAKNGLRSA-N 1 0 281.268 0.391 10 5 CCBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]CCOC1 ZINC000591594596 359604316 /nfs/dbraw/zinc/60/43/16/359604316.db2.gz ZWVFMBVMZRHRLT-NSHDSACASA-N 1 0 279.296 0.447 10 5 CCBERO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](C[NH3+])C(F)(F)F ZINC000596000772 360772327 /nfs/dbraw/zinc/77/23/27/360772327.db2.gz OZIDMXMZHAIOJL-SSDOTTSWSA-N 1 0 294.233 0.895 10 5 CCBERO CNC(=O)c1ccc(NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420207599 389965792 /nfs/dbraw/zinc/96/57/92/389965792.db2.gz AODUXUMQUDVJFH-QMMMGPOBSA-N 1 0 266.301 0.961 10 5 CCBERO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420252992 389973919 /nfs/dbraw/zinc/97/39/19/389973919.db2.gz OZVDYFPODPCDJY-XVKPBYJWSA-N 1 0 255.249 0.726 10 5 CCBERO COCC[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000095082308 184937935 /nfs/dbraw/zinc/93/79/35/184937935.db2.gz NGQCZIRTVKVCMX-LLVKDONJSA-N 1 0 270.285 0.571 10 5 CCBERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000038049640 174060980 /nfs/dbraw/zinc/06/09/80/174060980.db2.gz NOZQYYQVAAKGJO-JGVFFNPUSA-N 1 0 252.274 0.923 10 5 CCBERO NC(=O)CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079481 174089526 /nfs/dbraw/zinc/08/95/26/174089526.db2.gz FSWHWSHAURMBAG-UHFFFAOYSA-N 1 0 267.285 0.829 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000301677107 277124764 /nfs/dbraw/zinc/12/47/64/277124764.db2.gz SUKZDDPSNNCOFY-GHMZBOCLSA-N 1 0 264.285 0.509 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000471715375 277131451 /nfs/dbraw/zinc/13/14/51/277131451.db2.gz MAHQITJNMXZAHC-QWRGUYRKSA-N 1 0 264.285 0.509 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000284540179 277181153 /nfs/dbraw/zinc/18/11/53/277181153.db2.gz LQQCLHYCJXZYED-NWDGAFQWSA-N 1 0 278.312 0.899 10 5 CCBERO C[C@@H](C[NH3+])C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000054338743 524582066 /nfs/dbraw/zinc/58/20/66/524582066.db2.gz ZQAQRPVRPVOULI-LURJTMIESA-N 1 0 267.241 0.857 10 5 CCBERO [NH3+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000050243453 527364018 /nfs/dbraw/zinc/36/40/18/527364018.db2.gz TYTMCAVIESDYCU-SECBINFHSA-N 1 0 264.285 0.566 10 5 CCBERO COc1cc(NC2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000214209508 617206766 /nfs/dbraw/zinc/20/67/66/617206766.db2.gz GGMURNSMILLVPQ-UHFFFAOYSA-N 1 0 253.258 0.996 10 5 CCBERO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090290572 624487351 /nfs/dbraw/zinc/48/73/51/624487351.db2.gz BOVIPXWUHKZGDZ-UHFFFAOYSA-N 1 0 252.230 0.911 10 5 CCBERO O=[N+]([O-])c1ccc2oc(S(=O)(=O)[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092149 349590037 /nfs/dbraw/zinc/59/00/37/349590037.db2.gz VUTYXNHSWKWBHO-QMMMGPOBSA-N 1 0 297.292 0.872 10 5 CCBERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000263252625 137061958 /nfs/dbraw/zinc/06/19/58/137061958.db2.gz QBWONCSMSSDSHP-AAEUAGOBSA-N 1 0 265.313 0.573 10 5 CCBERO NC(=O)c1ccc(NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000054267875 348547992 /nfs/dbraw/zinc/54/79/92/348547992.db2.gz LJNZHYZMWAUYGN-UHFFFAOYSA-N 1 0 264.285 0.858 10 5 CCBERO C[C@H]([NH3+])CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000063171682 348680509 /nfs/dbraw/zinc/68/05/09/348680509.db2.gz RROMPFYZEATJOM-ZETCQYMHSA-N 1 0 288.329 0.391 10 5 CCBERO CN(CCC[NH3+])c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000133820104 350345277 /nfs/dbraw/zinc/34/52/77/350345277.db2.gz IMINTTRVSPDKTQ-UHFFFAOYSA-N 1 0 288.329 0.027 10 5 CCBERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000111304662 186393456 /nfs/dbraw/zinc/39/34/56/186393456.db2.gz OVBYRYCOGXREQR-LURJTMIESA-N 1 0 253.262 0.238 10 5 CCBERO CNC(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000213383086 351931656 /nfs/dbraw/zinc/93/16/56/351931656.db2.gz GMGDQCVULTUMDQ-UHFFFAOYSA-N 1 0 252.274 0.715 10 5 CCBERO CN1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622060 352031000 /nfs/dbraw/zinc/03/10/00/352031000.db2.gz NESXICNOOGZQBK-JTQLQIEISA-N 1 0 250.302 0.674 10 5 CCBERO Cc1cnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000228374514 352074068 /nfs/dbraw/zinc/07/40/68/352074068.db2.gz XVNMNHOJOMLDAX-GXSJLCMTSA-N 1 0 266.301 0.851 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000246112242 352348027 /nfs/dbraw/zinc/34/80/27/352348027.db2.gz CDYCICZZBPHRRW-NEPJUHHUSA-N 1 0 279.344 0.960 10 5 CCBERO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420249049 234572430 /nfs/dbraw/zinc/57/24/30/234572430.db2.gz IOEJQJUMADMOSI-RDDDGLTNSA-N 1 0 255.249 0.726 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000312667568 354209821 /nfs/dbraw/zinc/20/98/21/354209821.db2.gz IKRHBXUKJGSQJR-GDPRMGEGSA-N 1 0 278.312 0.743 10 5 CCBERO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C[NH3+])C(F)(F)F ZINC000595985798 360761596 /nfs/dbraw/zinc/76/15/96/360761596.db2.gz BNTHZGOVBBXYAV-ZCFIWIBFSA-N 1 0 280.206 0.885 10 5 CCBERO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185178274 388791288 /nfs/dbraw/zinc/79/12/88/388791288.db2.gz FURRCTLVIIWOOV-JHJVBQTASA-N 1 0 282.296 0.056 10 5 CCBERO COCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174849326 389531885 /nfs/dbraw/zinc/53/18/85/389531885.db2.gz OMDLYRJSDYCNCC-LBPRGKRZSA-N 1 0 297.359 0.444 10 5 CCBERO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420252991 389973956 /nfs/dbraw/zinc/97/39/56/389973956.db2.gz OZVDYFPODPCDJY-XCBNKYQSSA-N 1 0 255.249 0.726 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000095091865 184940764 /nfs/dbraw/zinc/94/07/64/184940764.db2.gz MWPPNWJFBWGCII-QMMMGPOBSA-N 1 0 286.313 0.020 10 5 CCBERO CCNC(=O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079469 174089509 /nfs/dbraw/zinc/08/95/09/174089509.db2.gz VCOVERCNDTWWTC-UHFFFAOYSA-N 1 0 267.285 0.699 10 5 CCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[NH2+]1 ZINC000052783484 278803652 /nfs/dbraw/zinc/80/36/52/278803652.db2.gz VARPEUHJJDAJLG-SSDOTTSWSA-N 1 0 263.257 0.929 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000313372447 301851791 /nfs/dbraw/zinc/85/17/91/301851791.db2.gz VQMFLDCJNFXRIV-JTQLQIEISA-N 1 0 266.301 0.852 10 5 CCBERO C[NH2+][C@H](COc1c(C)cc(C)cc1[N+](=O)[O-])C(N)=O ZINC000050442053 522468998 /nfs/dbraw/zinc/46/89/98/522468998.db2.gz DWUHLVGTDNLNEH-SECBINFHSA-N 1 0 267.285 0.664 10 5 CCBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000261788267 536343925 /nfs/dbraw/zinc/34/39/25/536343925.db2.gz QQAUAXGKBYRXTE-VIFPVBQESA-N 1 0 287.341 0.789 10 5 CCBERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000110928549 616115796 /nfs/dbraw/zinc/11/57/96/616115796.db2.gz VJLJFTOITQYDQZ-NSHDSACASA-N 1 0 299.352 0.967 10 5 CCBERO [NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063174781 637204116 /nfs/dbraw/zinc/20/41/16/637204116.db2.gz CMUXYGLKZHRJGV-BDAKNGLRSA-N 1 0 285.325 0.753 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)C[C@@H]1CCC[NH2+]1 ZINC000095091885 349589900 /nfs/dbraw/zinc/58/99/00/349589900.db2.gz QMHURKRUCVCCCZ-QPFGOUBPSA-N 1 0 255.299 0.849 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N(C)CCOCC[NH3+] ZINC000600955595 362100741 /nfs/dbraw/zinc/10/07/41/362100741.db2.gz DDHVWVFZIHCYMV-UHFFFAOYSA-N 1 0 254.290 0.710 10 5 CCBERO CCc1nn(C)c(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600961962 362102665 /nfs/dbraw/zinc/10/26/65/362102665.db2.gz XOURFSZTFRXOLP-BDAKNGLRSA-N 1 0 267.333 0.922 10 5 CCBERO Cc1nn(C)c(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962135 362102697 /nfs/dbraw/zinc/10/26/97/362102697.db2.gz ZAJDSKUOSOSCEA-APPZFPTMSA-N 1 0 253.306 0.668 10 5 CCBERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262198022 137030760 /nfs/dbraw/zinc/03/07/60/137030760.db2.gz ZQWBCSSMQVASJD-CMPLNLGQSA-N 1 0 281.312 0.273 10 5 CCBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262252137 137033116 /nfs/dbraw/zinc/03/31/16/137033116.db2.gz LQWWHWFMEXLNFP-ZYHUDNBSSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000263238902 137061538 /nfs/dbraw/zinc/06/15/38/137061538.db2.gz OILLAGNWEMRNGG-CABZTGNLSA-N 1 0 285.731 0.918 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH3+])CC1 ZINC000036754961 348170204 /nfs/dbraw/zinc/17/02/04/348170204.db2.gz CFFXYHBQHZKCLG-UHFFFAOYSA-N 1 0 264.285 0.621 10 5 CCBERO O=c1[nH]cnc2cc(N[C@@H]3CCC[NH2+]C3)c([N+](=O)[O-])cc21 ZINC000071397764 348908957 /nfs/dbraw/zinc/90/89/57/348908957.db2.gz LOTJFCLRLWFSBQ-MRVPVSSYSA-N 1 0 289.295 0.995 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122396193 350064204 /nfs/dbraw/zinc/06/42/04/350064204.db2.gz YYPACYTYFQNENX-NXEZZACHSA-N 1 0 293.327 0.637 10 5 CCBERO CN(CCC[NH3+])c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000133836491 350346547 /nfs/dbraw/zinc/34/65/47/350346547.db2.gz JSUNDSVIDCWYCU-UHFFFAOYSA-N 1 0 252.274 0.479 10 5 CCBERO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000174863910 351108098 /nfs/dbraw/zinc/10/80/98/351108098.db2.gz GTUMSOJFEZLDPK-UHFFFAOYSA-N 1 0 279.344 0.961 10 5 CCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)n1 ZINC000176269164 351165469 /nfs/dbraw/zinc/16/54/69/351165469.db2.gz VKPSMOYSYGUGAR-GFCCVEGCSA-N 1 0 295.343 0.198 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000359563315 356845104 /nfs/dbraw/zinc/84/51/04/356845104.db2.gz ZJBKEUZEBVBLIN-GHMZBOCLSA-N 1 0 295.343 0.639 10 5 CCBERO Cc1nn(C)c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408027699 357874768 /nfs/dbraw/zinc/87/47/68/357874768.db2.gz OUEQJGUGCGGKPN-WDEREUQCSA-N 1 0 295.343 0.546 10 5 CCBERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592298757 359813425 /nfs/dbraw/zinc/81/34/25/359813425.db2.gz PWYITMIEOMFUKP-GMSGAONNSA-N 1 0 280.284 0.553 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1([NH3+])CCCC1 ZINC000594694426 360360593 /nfs/dbraw/zinc/36/05/93/360360593.db2.gz PMAGLJVIMWGBKG-UHFFFAOYSA-N 1 0 279.300 0.772 10 5 CCBERO CN(CC[NH+](C)C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301453272 201014476 /nfs/dbraw/zinc/01/44/76/201014476.db2.gz AZJJZQXWUAWROT-UHFFFAOYSA-N 1 0 291.311 0.601 10 5 CCBERO CCc1nn(C)c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000301920635 201263509 /nfs/dbraw/zinc/26/35/09/201263509.db2.gz CZLSDRFQWIRFPU-QWRGUYRKSA-N 1 0 295.343 0.410 10 5 CCBERO O=[N+]([O-])c1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415136133 389662900 /nfs/dbraw/zinc/66/29/00/389662900.db2.gz BVTYERUZRUAJQH-QWHCGFSZSA-N 1 0 263.297 0.767 10 5 CCBERO COc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000420245297 389972101 /nfs/dbraw/zinc/97/21/01/389972101.db2.gz RAHOERCHNMJFIA-PELKAZGASA-N 1 0 267.285 0.596 10 5 CCBERO [NH3+][C@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036263929 172557590 /nfs/dbraw/zinc/55/75/90/172557590.db2.gz QESFQZMUFXKKGK-BQBZGAKWSA-N 1 0 291.716 0.626 10 5 CCBERO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000070178623 274292435 /nfs/dbraw/zinc/29/24/35/274292435.db2.gz ZBMAMIVRZHZORQ-PSASIEDQSA-N 1 0 251.290 0.948 10 5 CCBERO Cc1cnc(N2CCCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000313378232 302349073 /nfs/dbraw/zinc/34/90/73/302349073.db2.gz ZOGFDGBIRXTBAE-SNVBAGLBSA-N 1 0 266.301 0.852 10 5 CCBERO C[NH2+]CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000063166377 521977917 /nfs/dbraw/zinc/97/79/17/521977917.db2.gz ZVKNMJGZBLSYIH-UHFFFAOYSA-N 1 0 253.306 0.764 10 5 CCBERO C[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C)C(N)=O)c1 ZINC000050516820 522128776 /nfs/dbraw/zinc/12/87/76/522128776.db2.gz LQIXOUNBCZWXQK-SSDOTTSWSA-N 1 0 253.258 0.567 10 5 CCBERO Cc1ccc(OC[C@H](O)C[NH2+]C2CC2)c([N+](=O)[O-])n1 ZINC000050440808 525438850 /nfs/dbraw/zinc/43/88/50/525438850.db2.gz PFXJQSZTQOZBNU-SNVBAGLBSA-N 1 0 267.285 0.790 10 5 CCBERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000054076372 631257607 /nfs/dbraw/zinc/25/76/07/631257607.db2.gz KBLXJDVXLORUBV-LLVKDONJSA-N 1 0 292.339 0.851 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262397191 137042039 /nfs/dbraw/zinc/04/20/39/137042039.db2.gz YKBHNGOLZVTMGS-CABZTGNLSA-N 1 0 279.296 0.213 10 5 CCBERO C[C@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000310987930 137073399 /nfs/dbraw/zinc/07/33/99/137073399.db2.gz KTXNZLBREIEYQZ-ZCFIWIBFSA-N 1 0 253.262 0.238 10 5 CCBERO C[NH+](C)C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000176234668 351163159 /nfs/dbraw/zinc/16/31/59/351163159.db2.gz FATBRPGVDLBCLU-NSHDSACASA-N 1 0 283.332 0.054 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186545868 351502087 /nfs/dbraw/zinc/50/20/87/351502087.db2.gz IDQNKDQSUHCRFR-SNVBAGLBSA-N 1 0 293.327 0.534 10 5 CCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195334282 351909660 /nfs/dbraw/zinc/90/96/60/351909660.db2.gz WVLCMGAKOPXYAS-JTQLQIEISA-N 1 0 279.300 0.098 10 5 CCBERO Cc1nc(N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250960302 352509080 /nfs/dbraw/zinc/50/90/80/352509080.db2.gz WZHAYFZOZJBRBG-SNVBAGLBSA-N 1 0 265.317 0.377 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420240578 234567759 /nfs/dbraw/zinc/56/77/59/234567759.db2.gz ABBVIKPANPODPU-CABZTGNLSA-N 1 0 251.286 0.895 10 5 CCBERO CC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000389606732 357736726 /nfs/dbraw/zinc/73/67/26/357736726.db2.gz WNSCFCFJEBRFIS-MRVPVSSYSA-N 1 0 279.300 0.396 10 5 CCBERO CCO[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405613017 357826942 /nfs/dbraw/zinc/82/69/42/357826942.db2.gz SWNDZTZUFYQPBY-MWLCHTKSSA-N 1 0 266.301 0.790 10 5 CCBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000408071021 357902186 /nfs/dbraw/zinc/90/21/86/357902186.db2.gz OSGNVSZCJUWCET-UWVGGRQHSA-N 1 0 267.333 0.853 10 5 CCBERO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H](C[NH3+])C(F)(F)F ZINC000596005161 360772916 /nfs/dbraw/zinc/77/29/16/360772916.db2.gz VEWBQAAMUVOTMQ-ZCFIWIBFSA-N 1 0 295.221 0.139 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000302065208 201327171 /nfs/dbraw/zinc/32/71/71/201327171.db2.gz UFEWLKPRWMGLFC-UONOGXRCSA-N 1 0 293.323 0.606 10 5 CCBERO O=[N+]([O-])c1ccc2[nH]c([S@](=O)[C@H]3CC[NH2+]C3)nc2c1 ZINC000095092109 285141399 /nfs/dbraw/zinc/14/13/99/285141399.db2.gz WIMCBOWXHVIUDZ-RLBGWGEZSA-N 1 0 280.309 0.941 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000284527553 388779408 /nfs/dbraw/zinc/77/94/08/388779408.db2.gz KQUYLPAKCJOTRJ-NWDGAFQWSA-N 1 0 278.312 0.899 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000420258878 389974811 /nfs/dbraw/zinc/97/48/11/389974811.db2.gz YBQSMMOYSZRCBF-HQJQHLMTSA-N 1 0 255.249 0.726 10 5 CCBERO [NH3+]CCCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000021818400 171333642 /nfs/dbraw/zinc/33/36/42/171333642.db2.gz QIURYNBGTJIEKT-UHFFFAOYSA-N 1 0 277.277 0.361 10 5 CCBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)C(N)=O ZINC000035414619 172188307 /nfs/dbraw/zinc/18/83/07/172188307.db2.gz GTINMOBVGWEITH-ZETCQYMHSA-N 1 0 253.258 0.567 10 5 CCBERO CNC(=O)c1ccc(N[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000213361781 269745187 /nfs/dbraw/zinc/74/51/87/269745187.db2.gz ORUMGFFRTPODSX-SSDOTTSWSA-N 1 0 252.274 0.714 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000583989241 326828139 /nfs/dbraw/zinc/82/81/39/326828139.db2.gz NJAMRYUMFLUTLL-NWDGAFQWSA-N 1 0 277.280 0.408 10 5 CCBERO CC(C)[NH2+]C[C@@H](O)Cn1cccc([N+](=O)[O-])c1=O ZINC000050445388 519723175 /nfs/dbraw/zinc/72/31/75/519723175.db2.gz JRJNRGFWLNWCQV-SECBINFHSA-N 1 0 255.274 0.115 10 5 CCBERO CC1(C)C[NH2+][C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757066095 581691729 /nfs/dbraw/zinc/69/17/29/581691729.db2.gz ONORSODEBFOVLH-LLVKDONJSA-N 1 0 299.352 0.871 10 5 CCBERO C[NH+](C)C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCO1 ZINC000152998635 615930727 /nfs/dbraw/zinc/93/07/27/615930727.db2.gz UJCTVFCVSQKDEN-SNVBAGLBSA-N 1 0 269.305 0.011 10 5 CCBERO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000050249565 624803977 /nfs/dbraw/zinc/80/39/77/624803977.db2.gz SDWVXBCKUNUXCJ-ZETCQYMHSA-N 1 0 263.257 0.916 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000095091858 349590005 /nfs/dbraw/zinc/59/00/05/349590005.db2.gz DJNQGCXWFIPGEC-UHFFFAOYSA-N 1 0 285.325 0.763 10 5 CCBERO CCc1nn(C)c(NCCOCC[NH2+]C)c1[N+](=O)[O-] ZINC000600952445 362097685 /nfs/dbraw/zinc/09/76/85/362097685.db2.gz WSTJBSZCSGWMKW-UHFFFAOYSA-N 1 0 271.321 0.539 10 5 CCBERO Cc1nn(C)c(N2C[C@@H](C[NH3+])[C@H](C)C2)c1[N+](=O)[O-] ZINC000600962143 362102810 /nfs/dbraw/zinc/10/28/10/362102810.db2.gz ZAJDSKUOSOSCEA-VXNVDRBHSA-N 1 0 253.306 0.668 10 5 CCBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262252133 137033232 /nfs/dbraw/zinc/03/32/32/137033232.db2.gz LQWWHWFMEXLNFP-JQWIXIFHSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263248409 137061743 /nfs/dbraw/zinc/06/17/43/137061743.db2.gz POBZGRCZIIBWTH-JOYOIKCWSA-N 1 0 285.731 0.918 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263248410 137061759 /nfs/dbraw/zinc/06/17/59/137061759.db2.gz POBZGRCZIIBWTH-SKDRFNHKSA-N 1 0 285.731 0.918 10 5 CCBERO CC(C)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000070463573 348891027 /nfs/dbraw/zinc/89/10/27/348891027.db2.gz ZFYPLSUMYZZVES-VIFPVBQESA-N 1 0 267.289 0.484 10 5 CCBERO O=c1[nH]cnc2cc(N[C@H]3CCC[NH2+]C3)c([N+](=O)[O-])cc21 ZINC000071397765 348909037 /nfs/dbraw/zinc/90/90/37/348909037.db2.gz LOTJFCLRLWFSBQ-QMMMGPOBSA-N 1 0 289.295 0.995 10 5 CCBERO Cc1nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000132949854 350320146 /nfs/dbraw/zinc/32/01/46/350320146.db2.gz YTEXTXCAQDUIID-KCJUWKMLSA-N 1 0 266.301 0.851 10 5 CCBERO [NH3+][C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000133167049 350327741 /nfs/dbraw/zinc/32/77/41/350327741.db2.gz AVYZXWOMKATEIS-VIFPVBQESA-N 1 0 289.295 0.981 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172060133 350955066 /nfs/dbraw/zinc/95/50/66/350955066.db2.gz FMLYASRXWMDUHM-GHMZBOCLSA-N 1 0 293.327 0.486 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248902978 352466644 /nfs/dbraw/zinc/46/66/44/352466644.db2.gz UKOXRENHTOOCMH-VIFPVBQESA-N 1 0 291.311 0.373 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404052917 357814530 /nfs/dbraw/zinc/81/45/30/357814530.db2.gz FUKGOLNGZAONDO-QWRGUYRKSA-N 1 0 280.284 0.126 10 5 CCBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000599012587 361555403 /nfs/dbraw/zinc/55/54/03/361555403.db2.gz UBAHSJFALFIDHL-IUCAKERBSA-N 1 0 258.299 0.896 10 5 CCBERO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185137246 388789125 /nfs/dbraw/zinc/78/91/25/388789125.db2.gz ARXXJKJDTBXYHJ-VXGBXAGGSA-N 1 0 282.296 0.401 10 5 CCBERO O=[N+]([O-])c1c(NC[C@H]2C[NH2+]C[C@@H]2O)nc2sccn21 ZINC000420241244 389971292 /nfs/dbraw/zinc/97/12/92/389971292.db2.gz ANXIYGDBBYDBCU-RQJHMYQMSA-N 1 0 283.313 0.296 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000420258628 389974747 /nfs/dbraw/zinc/97/47/47/389974747.db2.gz YBQSMMOYSZRCBF-CPCISQLKSA-N 1 0 255.249 0.726 10 5 CCBERO [NH3+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000021810486 171328887 /nfs/dbraw/zinc/32/88/87/171328887.db2.gz IGQKLMJOKHKSBD-UHFFFAOYSA-N 1 0 293.732 0.875 10 5 CCBERO [NH3+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000021811463 171329363 /nfs/dbraw/zinc/32/93/63/171329363.db2.gz ZYLLCQRYZSTHAE-UHFFFAOYSA-N 1 0 279.705 0.485 10 5 CCBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285433957 196283586 /nfs/dbraw/zinc/28/35/86/196283586.db2.gz WXQCLOPRIWGEOX-SSDOTTSWSA-N 1 0 253.262 0.094 10 5 CCBERO CNc1ncnc(N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040595985 174349053 /nfs/dbraw/zinc/34/90/53/174349053.db2.gz DLECLFMELGOMHP-UHFFFAOYSA-N 1 0 280.332 0.957 10 5 CCBERO CNC(=O)c1ccc(N[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000213361727 269745535 /nfs/dbraw/zinc/74/55/35/269745535.db2.gz ORUMGFFRTPODSX-ZETCQYMHSA-N 1 0 252.274 0.714 10 5 CCBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH3+] ZINC000261568285 274364302 /nfs/dbraw/zinc/36/43/02/274364302.db2.gz JTIVTQWJIFDVJX-RNFRBKRXSA-N 1 0 263.257 0.914 10 5 CCBERO CNC(=O)c1ccc(N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000382972544 336100570 /nfs/dbraw/zinc/10/05/70/336100570.db2.gz FWLYKNSXCJSXGG-MRVPVSSYSA-N 1 0 266.301 0.738 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)c2nonc21 ZINC000157401565 527366388 /nfs/dbraw/zinc/36/63/88/527366388.db2.gz BMPOEHOQFDMGKE-SSDOTTSWSA-N 1 0 279.256 0.531 10 5 CCBERO CC[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000117324929 615564534 /nfs/dbraw/zinc/56/45/34/615564534.db2.gz WDVHSCRCQWUCBH-GFCCVEGCSA-N 1 0 297.359 0.791 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000226621629 636991200 /nfs/dbraw/zinc/99/12/00/636991200.db2.gz LEOWMCKJPIVEON-JTQLQIEISA-N 1 0 268.292 0.813 10 5 CCBERO Cc1ccc(N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000122787824 645929701 /nfs/dbraw/zinc/92/97/01/645929701.db2.gz JCLLRCHJXKMXKU-NSHDSACASA-N 1 0 264.329 0.982 10 5 CCBERO O=c1[nH]cnc2cc(NC3C[NH2+]C3)c([N+](=O)[O-])cc21 ZINC000090289422 349435796 /nfs/dbraw/zinc/43/57/96/349435796.db2.gz CXURDZCJYXWEGC-UHFFFAOYSA-N 1 0 261.241 0.215 10 5 CCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116786518 349872354 /nfs/dbraw/zinc/87/23/54/349872354.db2.gz NNFUKJQAQVTHDW-CYBMUJFWSA-N 1 0 293.323 0.997 10 5 CCBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000262379760 137040967 /nfs/dbraw/zinc/04/09/67/137040967.db2.gz WYVPZQXNUHAKTK-PWSUYJOCSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1Cl ZINC000263217487 137060638 /nfs/dbraw/zinc/06/06/38/137060638.db2.gz LDADWCNNPUCAIJ-JOYOIKCWSA-N 1 0 285.731 0.918 10 5 CCBERO CCC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000159753382 350687093 /nfs/dbraw/zinc/68/70/93/350687093.db2.gz ZOZSXRWCORBHTG-NSHDSACASA-N 1 0 283.332 0.638 10 5 CCBERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000229584625 352093203 /nfs/dbraw/zinc/09/32/03/352093203.db2.gz GAWCRWDIHFZINC-PSASIEDQSA-N 1 0 266.301 0.804 10 5 CCBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1[NH3+] ZINC000235354429 352182725 /nfs/dbraw/zinc/18/27/25/352182725.db2.gz FZKXWYVSXGRUGR-HTQZYQBOSA-N 1 0 252.274 0.353 10 5 CCBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000245927165 352341769 /nfs/dbraw/zinc/34/17/69/352341769.db2.gz XRTJPDKMZLXTIK-DTWKUNHWSA-N 1 0 281.316 0.776 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404073802 357814875 /nfs/dbraw/zinc/81/48/75/357814875.db2.gz MNVHBFIULZMLIQ-ZJUUUORDSA-N 1 0 280.284 0.126 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC1(C[NH3+])CC1 ZINC000404567920 357821949 /nfs/dbraw/zinc/82/19/49/357821949.db2.gz CTBYGWLTYAIKOY-UHFFFAOYSA-N 1 0 279.300 0.630 10 5 CCBERO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H](C[NH3+])C(F)(F)F ZINC000596000774 360772290 /nfs/dbraw/zinc/77/22/90/360772290.db2.gz OZIDMXMZHAIOJL-ZETCQYMHSA-N 1 0 294.233 0.895 10 5 CCBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000183110074 189346814 /nfs/dbraw/zinc/34/68/14/189346814.db2.gz RIECVEPOTHUZDV-NXEZZACHSA-N 1 0 254.290 0.948 10 5 CCBERO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599010507 361554287 /nfs/dbraw/zinc/55/42/87/361554287.db2.gz AFJFFQZZRXNHSH-JQWIXIFHSA-N 1 0 282.296 0.843 10 5 CCBERO C[NH+](C)C[C@@](C)(O)CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302021852 201302498 /nfs/dbraw/zinc/30/24/98/201302498.db2.gz FWFSSTBFYCVJNF-ZDUSSCGKSA-N 1 0 283.328 0.812 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000049478245 284668706 /nfs/dbraw/zinc/66/87/06/284668706.db2.gz PPORIYHPKBSELX-UHFFFAOYSA-N 1 0 294.267 0.939 10 5 CCBERO CNC(=O)c1ccc(NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420207598 389965839 /nfs/dbraw/zinc/96/58/39/389965839.db2.gz AODUXUMQUDVJFH-MRVPVSSYSA-N 1 0 266.301 0.961 10 5 CCBERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262057319 143934509 /nfs/dbraw/zinc/93/45/09/143934509.db2.gz AOHPAYNPVQAHAY-CMPLNLGQSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000020434505 171199671 /nfs/dbraw/zinc/19/96/71/171199671.db2.gz LYFNINPITLGHGD-ZJUUUORDSA-N 1 0 265.269 0.565 10 5 CCBERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000038049613 174061139 /nfs/dbraw/zinc/06/11/39/174061139.db2.gz SIHFKQZEQYSSSZ-IUCAKERBSA-N 1 0 252.274 0.923 10 5 CCBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000408027869 277129739 /nfs/dbraw/zinc/12/97/39/277129739.db2.gz PJIQSYIVIQCUOS-RYUDHWBXSA-N 1 0 278.312 0.899 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000420250163 534327039 /nfs/dbraw/zinc/32/70/39/534327039.db2.gz JUCNSXSOGDFUQF-JOYOIKCWSA-N 1 0 251.286 0.895 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000420250162 534328613 /nfs/dbraw/zinc/32/86/13/534328613.db2.gz JUCNSXSOGDFUQF-CABZTGNLSA-N 1 0 251.286 0.895 10 5 CCBERO C[NH2+][C@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000062539300 522463244 /nfs/dbraw/zinc/46/32/44/522463244.db2.gz LITCVIKSXKORBG-SNVBAGLBSA-N 1 0 253.258 0.437 10 5 CCBERO CNc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C)C)c1 ZINC000050725912 522641251 /nfs/dbraw/zinc/64/12/51/522641251.db2.gz WYUBMRQGICLUSC-UHFFFAOYSA-N 1 0 266.301 0.928 10 5 CCBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH3+] ZINC000054418075 522986234 /nfs/dbraw/zinc/98/62/34/522986234.db2.gz MAVWPSJJUAGJRO-UHFFFAOYSA-N 1 0 289.313 0.183 10 5 CCBERO CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000112012839 616255586 /nfs/dbraw/zinc/25/55/86/616255586.db2.gz WEYYTCKRQQUPRW-QMMMGPOBSA-N 1 0 293.283 0.874 10 5 CCBERO CN1CCN(c2cccc(F)c2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621697 636990629 /nfs/dbraw/zinc/99/06/29/636990629.db2.gz JHJCFRIAFLJSQR-VIFPVBQESA-N 1 0 268.292 0.813 10 5 CCBERO [NH3+]C/C=C/CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000131200300 647498764 /nfs/dbraw/zinc/49/87/64/647498764.db2.gz OMTFMHSMCTUCPZ-ONEGZZNKSA-N 1 0 271.298 0.388 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095091956 349590084 /nfs/dbraw/zinc/59/00/84/349590084.db2.gz XRHKXAKSSFHSED-QPFGOUBPSA-N 1 0 255.299 0.849 10 5 CCBERO O=[N+]([O-])c1cccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263112171 137058487 /nfs/dbraw/zinc/05/84/87/137058487.db2.gz AJNWEERPBSERKZ-PWSUYJOCSA-N 1 0 251.286 0.265 10 5 CCBERO Cc1cc(F)cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262156316 137028983 /nfs/dbraw/zinc/02/89/83/137028983.db2.gz IAEFGBANNYGQML-KWQFWETISA-N 1 0 297.286 0.352 10 5 CCBERO CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000262179172 137029743 /nfs/dbraw/zinc/02/97/43/137029743.db2.gz ZADUBJHPQSKBRU-SECBINFHSA-N 1 0 281.316 0.377 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263276757 137062498 /nfs/dbraw/zinc/06/24/98/137062498.db2.gz SWTAHHODEHJXKF-SKDRFNHKSA-N 1 0 285.731 0.918 10 5 CCBERO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263291697 137062902 /nfs/dbraw/zinc/06/29/02/137062902.db2.gz VTHGTZNKWQWLDM-FLBZCCBISA-N 1 0 277.324 0.778 10 5 CCBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000037890023 348216406 /nfs/dbraw/zinc/21/64/06/348216406.db2.gz SRWBKRNOCBGOFC-DLOVCJGASA-N 1 0 284.316 0.309 10 5 CCBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068224229 348803988 /nfs/dbraw/zinc/80/39/88/348803988.db2.gz MASJPCYKZWIOQQ-LLVKDONJSA-N 1 0 297.359 0.884 10 5 CCBERO Cc1ccnc(NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000070496524 348891584 /nfs/dbraw/zinc/89/15/84/348891584.db2.gz OEMLORUNZGTKIE-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089091308 349374685 /nfs/dbraw/zinc/37/46/85/349374685.db2.gz SHMYPJSYKXCVDH-SCZZXKLOSA-N 1 0 266.301 0.791 10 5 CCBERO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3C[NH2+]CCO3)c2c1 ZINC000157399871 350644754 /nfs/dbraw/zinc/64/47/54/350644754.db2.gz INPNDWHFSUSNRT-JTQLQIEISA-N 1 0 289.295 0.938 10 5 CCBERO COCC[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000176232580 351162755 /nfs/dbraw/zinc/16/27/55/351162755.db2.gz LTHMWUQHNMDNGD-LBPRGKRZSA-N 1 0 297.359 0.444 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195328795 351910208 /nfs/dbraw/zinc/91/02/08/351910208.db2.gz UVQGCDNUCNRYQQ-JTQLQIEISA-N 1 0 279.300 0.098 10 5 CCBERO Cc1c(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856069 352136644 /nfs/dbraw/zinc/13/66/44/352136644.db2.gz OGUIDGGAHFLPAO-GHMZBOCLSA-N 1 0 279.296 0.242 10 5 CCBERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000229584600 352092420 /nfs/dbraw/zinc/09/24/20/352092420.db2.gz GAWCRWDIHFZINC-SCZZXKLOSA-N 1 0 266.301 0.804 10 5 CCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245585163 352329974 /nfs/dbraw/zinc/32/99/74/352329974.db2.gz LPMCFVVDEXAHIS-LBPRGKRZSA-N 1 0 292.339 0.537 10 5 CCBERO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000420245306 234570720 /nfs/dbraw/zinc/57/07/20/234570720.db2.gz RAHOERCHNMJFIA-UFBFGSQYSA-N 1 0 267.285 0.596 10 5 CCBERO C[C@@H]1C[N@H+](C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408306549 358025152 /nfs/dbraw/zinc/02/51/52/358025152.db2.gz DJEHWMLKBOTZFQ-SECBINFHSA-N 1 0 253.306 0.464 10 5 CCBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000183110041 189346526 /nfs/dbraw/zinc/34/65/26/189346526.db2.gz RIECVEPOTHUZDV-ZJUUUORDSA-N 1 0 254.290 0.948 10 5 CCBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000183234750 189351255 /nfs/dbraw/zinc/35/12/55/189351255.db2.gz LTHPXOIXGOPQOS-ZYHUDNBSSA-N 1 0 281.312 0.914 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245913244 389221513 /nfs/dbraw/zinc/22/15/13/389221513.db2.gz VTGTZYFDDHVPCR-IUCAKERBSA-N 1 0 279.300 0.627 10 5 CCBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000420245729 389972155 /nfs/dbraw/zinc/97/21/55/389972155.db2.gz RELZGSLLHDOMGK-HTRCEHHLSA-N 1 0 295.324 0.592 10 5 CCBERO CC[NH2+]C[C@H](O)COc1cc([N+](=O)[O-])ccc1OC ZINC000037372531 173161981 /nfs/dbraw/zinc/16/19/81/173161981.db2.gz CGLZLSZQMBYMMC-JTQLQIEISA-N 1 0 270.285 0.953 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1 ZINC000390147484 269762484 /nfs/dbraw/zinc/76/24/84/269762484.db2.gz VTSJGCWFBVQUDD-JTQLQIEISA-N 1 0 252.274 0.780 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000284527560 277154697 /nfs/dbraw/zinc/15/46/97/277154697.db2.gz KQUYLPAKCJOTRJ-RYUDHWBXSA-N 1 0 278.312 0.899 10 5 CCBERO C[NH2+]CCS(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000049630105 522011057 /nfs/dbraw/zinc/01/10/57/522011057.db2.gz OUYOAXCIYQPWBS-UHFFFAOYSA-N 1 0 273.314 0.580 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000122826831 616247356 /nfs/dbraw/zinc/24/73/56/616247356.db2.gz LEOWMCKJPIVEON-SNVBAGLBSA-N 1 0 268.292 0.813 10 5 CCBERO COCC[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])C[C@@H]1C ZINC000117323101 616373896 /nfs/dbraw/zinc/37/38/96/616373896.db2.gz ZUVXVUVAJKZMNC-NSHDSACASA-N 1 0 283.332 0.401 10 5 CCBERO O=C1c2ccccc2C(=O)N1CC[N+]12CCN(CC1)CC2 ZINC000021957989 717113217 /nfs/dbraw/zinc/11/32/17/717113217.db2.gz FEDHSMGEVLUHBL-UHFFFAOYSA-N 1 0 286.355 0.429 10 5 CCBERO Cn1c(C(F)(F)F)cc(=O)n(CC[N+](C)(C)C)c1=O ZINC001088694989 717196860 /nfs/dbraw/zinc/19/68/60/717196860.db2.gz JKCDUHOXFVDUBM-UHFFFAOYSA-N 1 0 280.270 0.272 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262220427 137031398 /nfs/dbraw/zinc/03/13/98/137031398.db2.gz JMLCTQQFMYQQQS-HQJQHLMTSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263237896 137061547 /nfs/dbraw/zinc/06/15/47/137061547.db2.gz OHDSYWQBHHPEBV-BXKDBHETSA-N 1 0 285.731 0.918 10 5 CCBERO Cc1nc(NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000124069528 350089357 /nfs/dbraw/zinc/08/93/57/350089357.db2.gz PTGVZMLCASWCTD-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3C[NH2+]CCO3)c2c1 ZINC000157400014 350644073 /nfs/dbraw/zinc/64/40/73/350644073.db2.gz INPNDWHFSUSNRT-SNVBAGLBSA-N 1 0 289.295 0.938 10 5 CCBERO CN1CCO[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173339275 351035733 /nfs/dbraw/zinc/03/57/33/351035733.db2.gz KIMRUPUMBHECHZ-CYBMUJFWSA-N 1 0 293.323 0.584 10 5 CCBERO O=[N+]([O-])c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(F)c1 ZINC000415146707 233704809 /nfs/dbraw/zinc/70/48/09/233704809.db2.gz ZCTALBZEQGDMPQ-QWHCGFSZSA-N 1 0 281.287 0.907 10 5 CCBERO CN1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000189688352 351694866 /nfs/dbraw/zinc/69/48/66/351694866.db2.gz BUWKXVCZVDIVSC-ZETCQYMHSA-N 1 0 258.303 0.794 10 5 CCBERO Cc1nc(N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000228375348 352074251 /nfs/dbraw/zinc/07/42/51/352074251.db2.gz YTEXTXCAQDUIID-KWQFWETISA-N 1 0 266.301 0.851 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000359563320 356845091 /nfs/dbraw/zinc/84/50/91/356845091.db2.gz ZJBKEUZEBVBLIN-WDEREUQCSA-N 1 0 295.343 0.639 10 5 CCBERO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000364658692 357128787 /nfs/dbraw/zinc/12/87/87/357128787.db2.gz MVDHQYKWMRQSOK-JTQLQIEISA-N 1 0 281.316 0.392 10 5 CCBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401518735 357799709 /nfs/dbraw/zinc/79/97/09/357799709.db2.gz AOUOPOUUCMGCMG-MWLCHTKSSA-N 1 0 268.317 0.802 10 5 CCBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1[NH3+] ZINC000592341114 359821565 /nfs/dbraw/zinc/82/15/65/359821565.db2.gz RCSAKMAQEBFQSD-MUWHJKNJSA-N 1 0 266.257 0.115 10 5 CCBERO C[NH2+]C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596032777 360778994 /nfs/dbraw/zinc/77/89/94/360778994.db2.gz OFMQQDTUVYSSKW-ZETCQYMHSA-N 1 0 288.329 0.262 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])C[C@H]21 ZINC000302065210 201327758 /nfs/dbraw/zinc/32/77/58/201327758.db2.gz UFEWLKPRWMGLFC-ZIAGYGMSSA-N 1 0 293.323 0.606 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408144347 389829077 /nfs/dbraw/zinc/82/90/77/389829077.db2.gz JKNALNDYDJLERM-MWLCHTKSSA-N 1 0 293.327 0.495 10 5 CCBERO C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]CC1 ZINC000032049734 171691367 /nfs/dbraw/zinc/69/13/67/171691367.db2.gz KHVRGBKIFNMKHQ-JTQLQIEISA-N 1 0 279.296 0.794 10 5 CCBERO [NH3+]CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000035452733 172205005 /nfs/dbraw/zinc/20/50/05/172205005.db2.gz OMENRSQAZVVQCY-UHFFFAOYSA-N 1 0 252.230 0.296 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000038031652 174025814 /nfs/dbraw/zinc/02/58/14/174025814.db2.gz JXNCHSYYZNDRGK-UHFFFAOYSA-N 1 0 278.312 0.463 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000038031685 174027254 /nfs/dbraw/zinc/02/72/54/174027254.db2.gz DSJOCKXEQMVQOW-UHFFFAOYSA-N 1 0 296.302 0.602 10 5 CCBERO [NH3+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000038084431 174094579 /nfs/dbraw/zinc/09/45/79/174094579.db2.gz XTCUMDWOJHMRGU-VIFPVBQESA-N 1 0 286.309 0.619 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](CC[NH3+])C(F)F ZINC000383325158 336107130 /nfs/dbraw/zinc/10/71/30/336107130.db2.gz SWVXHVLEOWPXTR-ZETCQYMHSA-N 1 0 289.242 0.483 10 5 CCBERO C[NH2+]CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000049630181 522014582 /nfs/dbraw/zinc/01/45/82/522014582.db2.gz NPXDYQQVSMCTMB-UHFFFAOYSA-N 1 0 277.277 0.695 10 5 CCBERO CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000112012836 616262670 /nfs/dbraw/zinc/26/26/70/616262670.db2.gz WEYYTCKRQQUPRW-MRVPVSSYSA-N 1 0 293.283 0.874 10 5 CCBERO O=C1COc2cc([N+](=O)[O-])c(NC3C[NH2+]C3)cc2N1 ZINC000090289384 624839570 /nfs/dbraw/zinc/83/95/70/624839570.db2.gz APJGEWTTWWDQHB-UHFFFAOYSA-N 1 0 264.241 0.309 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228375737 633387238 /nfs/dbraw/zinc/38/72/38/633387238.db2.gz WIPQTXAKAHFPRF-GXSJLCMTSA-N 1 0 266.301 0.851 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CCCC[NH2+]2)nc1 ZINC000095091920 349589953 /nfs/dbraw/zinc/58/99/53/349589953.db2.gz CNNMFTBAHZBEIA-SECBINFHSA-N 1 0 285.325 0.906 10 5 CCBERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000116793827 349873077 /nfs/dbraw/zinc/87/30/77/349873077.db2.gz HQMJVAMXOMTIHR-ZDUSSCGKSA-N 1 0 293.323 0.997 10 5 CCBERO O=[N+]([O-])c1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263112168 137058284 /nfs/dbraw/zinc/05/82/84/137058284.db2.gz AJNWEERPBSERKZ-JQWIXIFHSA-N 1 0 251.286 0.265 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1F ZINC000262285384 137035391 /nfs/dbraw/zinc/03/53/91/137035391.db2.gz ODYKMYIBEJDYTK-RDDDGLTNSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263248408 137061823 /nfs/dbraw/zinc/06/18/23/137061823.db2.gz POBZGRCZIIBWTH-CABZTGNLSA-N 1 0 285.731 0.918 10 5 CCBERO C[C@H]([NH3+])CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063171758 348680841 /nfs/dbraw/zinc/68/08/41/348680841.db2.gz RMNVNALXJLDLSI-ZETCQYMHSA-N 1 0 252.274 0.843 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855027 350867960 /nfs/dbraw/zinc/86/79/60/350867960.db2.gz WAZNLORQQYZCRY-NSHDSACASA-N 1 0 295.343 0.652 10 5 CCBERO CC(=O)N[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176211004 351161302 /nfs/dbraw/zinc/16/13/02/351161302.db2.gz LOJNHNQSADVYFR-LLVKDONJSA-N 1 0 281.316 0.392 10 5 CCBERO C[C@@H](O)C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000176232378 351163225 /nfs/dbraw/zinc/16/32/25/351163225.db2.gz KSSTXGAEVMDTML-VXGBXAGGSA-N 1 0 297.359 0.178 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195063100 351895677 /nfs/dbraw/zinc/89/56/77/351895677.db2.gz GTTCFQUQHSUZNA-LLVKDONJSA-N 1 0 293.327 0.488 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H]([NH3+])[C@H](F)C1 ZINC000220374581 351972834 /nfs/dbraw/zinc/97/28/34/351972834.db2.gz ITODKGMPWUTPFP-HTQZYQBOSA-N 1 0 257.269 0.594 10 5 CCBERO Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000311776783 354203146 /nfs/dbraw/zinc/20/31/46/354203146.db2.gz HIDGOBWDRFPUNT-VIFPVBQESA-N 1 0 263.301 0.856 10 5 CCBERO CO[C@@H]1C[C@@H](CO)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000312597102 354209059 /nfs/dbraw/zinc/20/90/59/354209059.db2.gz XTPYNSTYNPQIBU-WDEREUQCSA-N 1 0 284.316 0.181 10 5 CCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@@]1(C)C[NH3+] ZINC000381161346 357707506 /nfs/dbraw/zinc/70/75/06/357707506.db2.gz RDPLWKNWDNLLHU-LDYMZIIASA-N 1 0 251.290 0.806 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592549303 359882340 /nfs/dbraw/zinc/88/23/40/359882340.db2.gz YAZYDNZVOBWHHI-XCBNKYQSSA-N 1 0 299.714 0.558 10 5 CCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179211894 189178043 /nfs/dbraw/zinc/17/80/43/189178043.db2.gz LPMCFVVDEXAHIS-GFCCVEGCSA-N 1 0 292.339 0.537 10 5 CCBERO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000599012463 361555306 /nfs/dbraw/zinc/55/53/06/361555306.db2.gz QZVAQFMGCYWFMR-RYUDHWBXSA-N 1 0 252.270 0.834 10 5 CCBERO CCc1nn(C)c(NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000390090261 389772393 /nfs/dbraw/zinc/77/23/93/389772393.db2.gz DUSZKUKVBJSWDW-VIFPVBQESA-N 1 0 283.332 0.681 10 5 CCBERO Cc1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])c1 ZINC000420250137 389973114 /nfs/dbraw/zinc/97/31/14/389973114.db2.gz JRQWVHFFGSXHQO-JOYOIKCWSA-N 1 0 251.286 0.895 10 5 CCBERO [NH3+][C@H]1C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000036267810 172562735 /nfs/dbraw/zinc/56/27/35/172562735.db2.gz BZRYEAGQTAQBAJ-NKWVEPMBSA-N 1 0 251.242 0.878 10 5 CCBERO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000261550481 274305022 /nfs/dbraw/zinc/30/50/22/274305022.db2.gz NXBJRTKRKXCEQU-BDAKNGLRSA-N 1 0 251.290 0.948 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000130260350 281014702 /nfs/dbraw/zinc/01/47/02/281014702.db2.gz BRJNHFQWZAEEMY-VXGBXAGGSA-N 1 0 278.312 0.817 10 5 CCBERO C[n+]1ccccc1Cc1c([N+](=O)[O-])cnc2ncnn21 ZINC000020101910 336192752 /nfs/dbraw/zinc/19/27/52/336192752.db2.gz GPQNYDSXKCFVDD-UHFFFAOYSA-N 1 0 271.260 0.448 10 5 CCBERO CC[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1OC ZINC000050505054 519946537 /nfs/dbraw/zinc/94/65/37/519946537.db2.gz YDJNOGFFGRDJOB-SNVBAGLBSA-N 1 0 270.285 0.953 10 5 CCBERO C[C@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000156535975 636865262 /nfs/dbraw/zinc/86/52/62/636865262.db2.gz KFLXNQIETLFIDX-XVKPBYJWSA-N 1 0 293.283 0.683 10 5 CCBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000062984733 637191822 /nfs/dbraw/zinc/19/18/22/637191822.db2.gz JWCPWQAQWMYOSZ-JTQLQIEISA-N 1 0 278.312 0.953 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C2CC[NH2+]CC2)nc1 ZINC000095091918 349589809 /nfs/dbraw/zinc/58/98/09/349589809.db2.gz TYZWYTKBQSFNDM-UHFFFAOYSA-N 1 0 271.298 0.516 10 5 CCBERO CCn1c(C)nc([N+](=O)[O-])c1NCCOCC[NH2+]C ZINC000600952278 362098546 /nfs/dbraw/zinc/09/85/46/362098546.db2.gz UOWRNDGWBBJSRU-UHFFFAOYSA-N 1 0 271.321 0.768 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261701012 137015828 /nfs/dbraw/zinc/01/58/28/137015828.db2.gz IBOFWKPGVMOAGF-JTQLQIEISA-N 1 0 267.333 0.888 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262207570 137031040 /nfs/dbraw/zinc/03/10/40/137031040.db2.gz IQHWKKSAGLELJR-RDDDGLTNSA-N 1 0 283.259 0.044 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1F ZINC000262285382 137035176 /nfs/dbraw/zinc/03/51/76/137035176.db2.gz ODYKMYIBEJDYTK-HQJQHLMTSA-N 1 0 283.259 0.044 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864329 350869902 /nfs/dbraw/zinc/86/99/02/350869902.db2.gz OFPKEJQNEBIRNW-JTQLQIEISA-N 1 0 281.316 0.262 10 5 CCBERO Cc1ccnc(NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420252480 234573315 /nfs/dbraw/zinc/57/33/15/234573315.db2.gz NSLWFWWDRVFSJU-DTWKUNHWSA-N 1 0 252.274 0.290 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000298436434 353963305 /nfs/dbraw/zinc/96/33/05/353963305.db2.gz AXSZATNCOULXQS-VIFPVBQESA-N 1 0 251.290 0.613 10 5 CCBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000423687439 235036441 /nfs/dbraw/zinc/03/64/41/235036441.db2.gz WMIMUAYXXSVCQF-SKDRFNHKSA-N 1 0 279.296 0.922 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408063406 357897228 /nfs/dbraw/zinc/89/72/28/357897228.db2.gz RBJIMKKZHBPMPF-NWDGAFQWSA-N 1 0 294.311 0.468 10 5 CCBERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592298760 359813485 /nfs/dbraw/zinc/81/34/85/359813485.db2.gz PWYITMIEOMFUKP-OIBJUYFYSA-N 1 0 280.284 0.553 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592549299 359883005 /nfs/dbraw/zinc/88/30/05/359883005.db2.gz YAZYDNZVOBWHHI-GMSGAONNSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000179180697 189175114 /nfs/dbraw/zinc/17/51/14/189175114.db2.gz ATNRGWBFIDTVMF-CHWSQXEVSA-N 1 0 266.297 0.565 10 5 CCBERO Cc1n[nH]c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000263994781 190088098 /nfs/dbraw/zinc/08/80/98/190088098.db2.gz HYCHBLJQYCPTLW-QMMMGPOBSA-N 1 0 267.289 0.402 10 5 CCBERO CNC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000183638205 388760619 /nfs/dbraw/zinc/76/06/19/388760619.db2.gz SVKQZIGKDUKOHO-GFCCVEGCSA-N 1 0 296.327 0.117 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000284527574 388778649 /nfs/dbraw/zinc/77/86/49/388778649.db2.gz KQUYLPAKCJOTRJ-VXGBXAGGSA-N 1 0 278.312 0.899 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])o1 ZINC000038031455 174025980 /nfs/dbraw/zinc/02/59/80/174025980.db2.gz QXFZKSZEJKFRSL-UHFFFAOYSA-N 1 0 282.300 0.051 10 5 CCBERO NC1=[NH+]CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000079069701 177426558 /nfs/dbraw/zinc/42/65/58/177426558.db2.gz NHKGBUFCOREANA-UHFFFAOYSA-N 1 0 278.268 0.904 10 5 CCBERO Cc1nc(NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000390228022 262159942 /nfs/dbraw/zinc/15/99/42/262159942.db2.gz OTLSJAGJQKAVDA-JTQLQIEISA-N 1 0 266.301 0.511 10 5 CCBERO C[C@H](C[NH3+])N(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000382996482 336101293 /nfs/dbraw/zinc/10/12/93/336101293.db2.gz KOAFZMPESOOQHY-SSDOTTSWSA-N 1 0 252.274 0.477 10 5 CCBERO COCC[C@H]([NH3+])C(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000052791715 521946184 /nfs/dbraw/zinc/94/61/84/521946184.db2.gz FZPJZMVWFNZIGD-QMMMGPOBSA-N 1 0 269.257 0.603 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367203434 534720328 /nfs/dbraw/zinc/72/03/28/534720328.db2.gz FAURYLVVWCPDLZ-APPZFPTMSA-N 1 0 267.241 0.001 10 5 CCBERO NC(=O)[C@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540102 526993440 /nfs/dbraw/zinc/99/34/40/526993440.db2.gz XBGYECAVHNQSQA-SSDOTTSWSA-N 1 0 257.221 0.315 10 5 CCBERO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000050228147 527411766 /nfs/dbraw/zinc/41/17/66/527411766.db2.gz XHCAKODJPAUBEB-ZETCQYMHSA-N 1 0 253.233 0.907 10 5 CCBERO CC1(C)C[NH2+][C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757066096 581691648 /nfs/dbraw/zinc/69/16/48/581691648.db2.gz ONORSODEBFOVLH-NSHDSACASA-N 1 0 299.352 0.871 10 5 CCBERO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000165881272 624893538 /nfs/dbraw/zinc/89/35/38/624893538.db2.gz YZHASBKVWBJZHV-VIFPVBQESA-N 1 0 255.249 0.898 10 5 CCBERO CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000234360771 624909622 /nfs/dbraw/zinc/90/96/22/624909622.db2.gz OVANBOKFXVIVIH-VIFPVBQESA-N 1 0 286.282 0.952 10 5 CCBERO COC(=O)[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000227824770 637038304 /nfs/dbraw/zinc/03/83/04/637038304.db2.gz ABSSEJNTGMZFJX-ONGXEEELSA-N 1 0 296.327 0.841 10 5 CCBERO C[NH2+]C[C@H]1CCCCN1c1c([N+](=O)[O-])ncn1C ZINC000063169510 637205524 /nfs/dbraw/zinc/20/55/24/637205524.db2.gz REFIQGCLXHSSKU-SECBINFHSA-N 1 0 253.306 0.907 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000247128310 649703461 /nfs/dbraw/zinc/70/34/61/649703461.db2.gz QEVPSGJUBLYKGN-QWRGUYRKSA-N 1 0 265.317 0.917 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091945 349589945 /nfs/dbraw/zinc/58/99/45/349589945.db2.gz GJXMIFJVUGKLLU-VVVCHXIZSA-N 1 0 255.299 0.849 10 5 CCBERO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095072336 349587004 /nfs/dbraw/zinc/58/70/04/349587004.db2.gz QLBYNRYQSMSGRY-MRVPVSSYSA-N 1 0 286.313 0.102 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262210778 137031057 /nfs/dbraw/zinc/03/10/57/137031057.db2.gz IUEIMVHRICKDRI-GMSGAONNSA-N 1 0 299.714 0.558 10 5 CCBERO CCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262243755 137032682 /nfs/dbraw/zinc/03/26/82/137032682.db2.gz LCKWAPMVTWMVCR-YPMHNXCESA-N 1 0 293.323 0.467 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000263275145 137062608 /nfs/dbraw/zinc/06/26/08/137062608.db2.gz SSGVXICEGIEYHF-DTWKUNHWSA-N 1 0 257.315 0.326 10 5 CCBERO [NH3+]CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000070188675 348877292 /nfs/dbraw/zinc/87/72/92/348877292.db2.gz PPACWEANDMJUAN-UHFFFAOYSA-N 1 0 251.290 0.950 10 5 CCBERO CC[N@@H+]1CCC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000105807812 186072233 /nfs/dbraw/zinc/07/22/33/186072233.db2.gz NEQKTGHAKMOAIY-JTQLQIEISA-N 1 0 295.343 0.851 10 5 CCBERO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000401766540 357805660 /nfs/dbraw/zinc/80/56/60/357805660.db2.gz GRBBYTLUTGMXAQ-YFKPBYRVSA-N 1 0 266.179 0.542 10 5 CCBERO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]CCOC1 ZINC000591590770 359603092 /nfs/dbraw/zinc/60/30/92/359603092.db2.gz YNQNQUJYYMWADL-VIFPVBQESA-N 1 0 265.269 0.769 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1C ZINC000596028918 360777742 /nfs/dbraw/zinc/77/77/42/360777742.db2.gz MVJAXZGVDRUOIQ-JOYOIKCWSA-N 1 0 281.312 0.904 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1C ZINC000596028917 360778212 /nfs/dbraw/zinc/77/82/12/360778212.db2.gz MVJAXZGVDRUOIQ-CABZTGNLSA-N 1 0 281.312 0.904 10 5 CCBERO CCc1nn(C)c(N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000129189328 389183386 /nfs/dbraw/zinc/18/33/86/389183386.db2.gz UCVUWDYSNMYHMU-SNVBAGLBSA-N 1 0 297.359 0.658 10 5 CCBERO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420249047 389973136 /nfs/dbraw/zinc/97/31/36/389973136.db2.gz IOEJQJUMADMOSI-HQJQHLMTSA-N 1 0 255.249 0.726 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000095091852 184941081 /nfs/dbraw/zinc/94/10/81/184941081.db2.gz WZPMNCJNZPZTNE-QMMMGPOBSA-N 1 0 271.298 0.516 10 5 CCBERO [NH3+]CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021817391 171332907 /nfs/dbraw/zinc/33/29/07/171332907.db2.gz YLAPFZSVHNUSAS-UHFFFAOYSA-N 1 0 293.732 0.875 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1N1C[C@H]([NH3+])CC1=O ZINC000035679522 172350553 /nfs/dbraw/zinc/35/05/53/172350553.db2.gz FBASRXSGNQSSML-SSDOTTSWSA-N 1 0 251.242 0.667 10 5 CCBERO CN(C)C(=O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079426 174089122 /nfs/dbraw/zinc/08/91/22/174089122.db2.gz KOMGJOCMESQIGF-UHFFFAOYSA-N 1 0 267.285 0.651 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[NH2+]CCCO1 ZINC000390123530 262131752 /nfs/dbraw/zinc/13/17/52/262131752.db2.gz OFOWYINHXOTSNB-SNVBAGLBSA-N 1 0 283.332 0.910 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000284540183 290169787 /nfs/dbraw/zinc/16/97/87/290169787.db2.gz LQQCLHYCJXZYED-RYUDHWBXSA-N 1 0 278.312 0.899 10 5 CCBERO NC(=O)c1ccc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249769 527238798 /nfs/dbraw/zinc/23/87/98/527238798.db2.gz SJSFQTNPHIJEHK-MRVPVSSYSA-N 1 0 264.285 0.479 10 5 CCBERO CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000300488201 616246896 /nfs/dbraw/zinc/24/68/96/616246896.db2.gz OVANBOKFXVIVIH-SECBINFHSA-N 1 0 286.282 0.952 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1cc([N+](=O)[O-])cn1 ZINC000153224079 637689062 /nfs/dbraw/zinc/68/90/62/637689062.db2.gz RPZWMRSDDUCCJV-WDEREUQCSA-N 1 0 265.317 0.917 10 5 CCBERO CN1CCO[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000227860000 639861475 /nfs/dbraw/zinc/86/14/75/639861475.db2.gz URCYXRHIXCEJCI-ZIAGYGMSSA-N 1 0 295.339 0.548 10 5 CCBERO C[NH2+]CCOCCN(C)c1ncccc1[N+](=O)[O-] ZINC000600953888 362099494 /nfs/dbraw/zinc/09/94/94/362099494.db2.gz FGIOTFIITLBNNZ-UHFFFAOYSA-N 1 0 254.290 0.662 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262412034 137042606 /nfs/dbraw/zinc/04/26/06/137042606.db2.gz ZHXUFHRDMDYUCF-JOYOIKCWSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1cc(F)cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262156309 137029026 /nfs/dbraw/zinc/02/90/26/137029026.db2.gz IAEFGBANNYGQML-GZMMTYOYSA-N 1 0 297.286 0.352 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262235115 137032389 /nfs/dbraw/zinc/03/23/89/137032389.db2.gz KLVQHGHKRIXOCC-RDDDGLTNSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000263252626 137061733 /nfs/dbraw/zinc/06/17/33/137061733.db2.gz QBWONCSMSSDSHP-DGCLKSJQSA-N 1 0 265.313 0.573 10 5 CCBERO C[C@@H]([NH3+])[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000156564409 350631130 /nfs/dbraw/zinc/63/11/30/350631130.db2.gz HUINUMMHQIQXBE-HTQZYQBOSA-N 1 0 297.340 0.856 10 5 CCBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179173626 351259779 /nfs/dbraw/zinc/25/97/79/351259779.db2.gz ZYVQVEPLCZDFTN-GHMZBOCLSA-N 1 0 282.296 0.401 10 5 CCBERO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193476596 351829747 /nfs/dbraw/zinc/82/97/47/351829747.db2.gz AVHUOLKCSCQFAB-JTQLQIEISA-N 1 0 292.295 0.616 10 5 CCBERO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193539363 351831997 /nfs/dbraw/zinc/83/19/97/351831997.db2.gz LHQRNZTZKLEPBP-SECBINFHSA-N 1 0 280.284 0.472 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H]([NH3+])[C@H](F)C1 ZINC000220374516 351972349 /nfs/dbraw/zinc/97/23/49/351972349.db2.gz ITODKGMPWUTPFP-SFYZADRCSA-N 1 0 257.269 0.594 10 5 CCBERO C[C@H](C[NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420221660 234559710 /nfs/dbraw/zinc/55/97/10/234559710.db2.gz URXHLVUKXSISLG-SSDOTTSWSA-N 1 0 252.274 0.700 10 5 CCBERO CO[C@H]1C[C@@H](CO)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000312597101 354208915 /nfs/dbraw/zinc/20/89/15/354208915.db2.gz XTPYNSTYNPQIBU-QWRGUYRKSA-N 1 0 284.316 0.181 10 5 CCBERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] ZINC000599010508 361553993 /nfs/dbraw/zinc/55/39/93/361553993.db2.gz AFJFFQZZRXNHSH-PWSUYJOCSA-N 1 0 282.296 0.843 10 5 CCBERO Cc1cc(NCC(=O)N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000092027524 389027234 /nfs/dbraw/zinc/02/72/34/389027234.db2.gz IEKZELQVDAMTKV-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO [NH3+]C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCCO1 ZINC000313351179 389113344 /nfs/dbraw/zinc/11/33/44/389113344.db2.gz NBQROCHZXDLMTE-MRVPVSSYSA-N 1 0 297.340 0.858 10 5 CCBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000320655016 389122155 /nfs/dbraw/zinc/12/21/55/389122155.db2.gz HDUBMMGJXWWHOU-RQJHMYQMSA-N 1 0 267.289 0.626 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c(F)cc1[N+](=O)[O-] ZINC000420258996 389975127 /nfs/dbraw/zinc/97/51/27/389975127.db2.gz YDVBWONWLUQCFS-RDDDGLTNSA-N 1 0 285.275 0.735 10 5 CCBERO CCOc1cccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420240621 389971272 /nfs/dbraw/zinc/97/12/72/389971272.db2.gz AEBJSTMOONLAGS-ONGXEEELSA-N 1 0 281.312 0.986 10 5 CCBERO Cc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000020434507 171200168 /nfs/dbraw/zinc/20/01/68/171200168.db2.gz LYFNINPITLGHGD-UWVGGRQHSA-N 1 0 265.269 0.565 10 5 CCBERO [NH3+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000038084430 174094374 /nfs/dbraw/zinc/09/43/74/174094374.db2.gz XTCUMDWOJHMRGU-SECBINFHSA-N 1 0 286.309 0.619 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000408339299 281014636 /nfs/dbraw/zinc/01/46/36/281014636.db2.gz BRJNHFQWZAEEMY-NEPJUHHUSA-N 1 0 278.312 0.817 10 5 CCBERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000381695237 336070822 /nfs/dbraw/zinc/07/08/22/336070822.db2.gz GCRAWLYGHHIDHW-BQBZGAKWSA-N 1 0 252.274 0.841 10 5 CCBERO C[NH2+][C@@H](CCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000062539296 522350044 /nfs/dbraw/zinc/35/00/44/522350044.db2.gz LITCVIKSXKORBG-JTQLQIEISA-N 1 0 253.258 0.437 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1OCC[C@@H]([NH3+])C(N)=O ZINC000062540330 525472612 /nfs/dbraw/zinc/47/26/12/525472612.db2.gz JAWSHCBBOKMUBC-MRVPVSSYSA-N 1 0 269.257 0.185 10 5 CCBERO [NH3+]CCOc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000051870171 527188588 /nfs/dbraw/zinc/18/85/88/527188588.db2.gz FFVSHXKERWPUOL-UHFFFAOYSA-N 1 0 250.214 0.169 10 5 CCBERO [NH3+]CCOc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2 ZINC000051870156 527189348 /nfs/dbraw/zinc/18/93/48/527189348.db2.gz IWNFFEIOXJTNOZ-UHFFFAOYSA-N 1 0 251.242 0.817 10 5 CCBERO CC1(C)C[NH2+][C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000757070080 581939408 /nfs/dbraw/zinc/93/94/08/581939408.db2.gz NZLXDISMRQNPAF-NSHDSACASA-N 1 0 299.352 0.871 10 5 CCBERO C[NH2+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000063169398 631623019 /nfs/dbraw/zinc/62/30/19/631623019.db2.gz ZBAFIGQJBPAAGZ-SECBINFHSA-N 1 0 251.290 0.963 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228375719 637057153 /nfs/dbraw/zinc/05/71/53/637057153.db2.gz WIPQTXAKAHFPRF-ONGXEEELSA-N 1 0 266.301 0.851 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)[C@H]1CCC[NH2+]C1 ZINC000095091876 349589903 /nfs/dbraw/zinc/58/99/03/349589903.db2.gz QCZNWFTWNFCLLN-WNWIJWBNSA-N 1 0 255.299 0.849 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@](=O)C[C@H]1CC[NH2+]C1 ZINC000095091895 349590124 /nfs/dbraw/zinc/59/01/24/349590124.db2.gz HMGIXFIINKKDTL-QPFGOUBPSA-N 1 0 255.299 0.707 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095091966 349590157 /nfs/dbraw/zinc/59/01/57/349590157.db2.gz SCJZRSICQAFXCO-QPFGOUBPSA-N 1 0 255.299 0.707 10 5 CCBERO O=[N+]([O-])c1cccc(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263112165 137058502 /nfs/dbraw/zinc/05/85/02/137058502.db2.gz AJNWEERPBSERKZ-CMPLNLGQSA-N 1 0 251.286 0.265 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000263275144 137062595 /nfs/dbraw/zinc/06/25/95/137062595.db2.gz SSGVXICEGIEYHF-BDAKNGLRSA-N 1 0 257.315 0.326 10 5 CCBERO C[C@H](CC[NH3+])Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000310773487 137072343 /nfs/dbraw/zinc/07/23/43/137072343.db2.gz PTRLGNWBULQXOH-SSDOTTSWSA-N 1 0 252.274 0.843 10 5 CCBERO COc1cc(N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124482179 350099470 /nfs/dbraw/zinc/09/94/70/350099470.db2.gz JYQBNEGUSXAGJF-LLVKDONJSA-N 1 0 280.328 0.683 10 5 CCBERO Cc1nc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000132950013 350320442 /nfs/dbraw/zinc/32/04/42/350320442.db2.gz YTEXTXCAQDUIID-LDYMZIIASA-N 1 0 266.301 0.851 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000133672892 350341680 /nfs/dbraw/zinc/34/16/80/350341680.db2.gz OVYJTSVTARJCEA-QMMMGPOBSA-N 1 0 252.274 0.273 10 5 CCBERO CC[C@@H]([NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111304622 186393543 /nfs/dbraw/zinc/39/35/43/186393543.db2.gz ZBUCYESFMSDOQU-MRVPVSSYSA-N 1 0 252.274 0.843 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000228376969 352074386 /nfs/dbraw/zinc/07/43/86/352074386.db2.gz ZSSOSWPGRBOJSU-ONGXEEELSA-N 1 0 266.301 0.851 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284540186 283158439 /nfs/dbraw/zinc/15/84/39/283158439.db2.gz LQQCLHYCJXZYED-VXGBXAGGSA-N 1 0 278.312 0.899 10 5 CCBERO Cc1nn(C)c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408027695 357874556 /nfs/dbraw/zinc/87/45/56/357874556.db2.gz OUEQJGUGCGGKPN-MNOVXSKESA-N 1 0 295.343 0.546 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000599013235 361555974 /nfs/dbraw/zinc/55/59/74/361555974.db2.gz YLGFVHSLCADGHS-NEPJUHHUSA-N 1 0 252.270 0.834 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000246066889 285001964 /nfs/dbraw/zinc/00/19/64/285001964.db2.gz YYPACYTYFQNENX-ZJUUUORDSA-N 1 0 293.327 0.637 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1F ZINC000420236104 533035163 /nfs/dbraw/zinc/03/51/63/533035163.db2.gz FSXBDILPEOJIBG-WRWORJQWSA-N 1 0 285.275 0.735 10 5 CCBERO C[C@@H](C[NH3+])CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420221663 389967659 /nfs/dbraw/zinc/96/76/59/389967659.db2.gz URXHLVUKXSISLG-ZETCQYMHSA-N 1 0 252.274 0.700 10 5 CCBERO CCOc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420254139 389973869 /nfs/dbraw/zinc/97/38/69/389973869.db2.gz RCBAABZUIGTIFB-CABZTGNLSA-N 1 0 281.312 0.986 10 5 CCBERO O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000370023407 144288271 /nfs/dbraw/zinc/28/82/71/144288271.db2.gz XTDJWVGJRBOVRY-NEPJUHHUSA-N 1 0 277.280 0.408 10 5 CCBERO NC(=[NH2+])SCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000029336422 171594665 /nfs/dbraw/zinc/59/46/65/171594665.db2.gz MRHZPMOVQRIKDA-UHFFFAOYSA-N 1 0 254.271 0.820 10 5 CCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000191804980 227179581 /nfs/dbraw/zinc/17/95/81/227179581.db2.gz FFKVGJXALWSETG-SNVBAGLBSA-N 1 0 293.327 0.731 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCCO[C@H](C[NH3+])C1 ZINC000313367106 274724058 /nfs/dbraw/zinc/72/40/58/274724058.db2.gz PRFIGQRLABMMHW-LLVKDONJSA-N 1 0 266.301 0.852 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382456508 336090621 /nfs/dbraw/zinc/09/06/21/336090621.db2.gz JSJONLWEQLTDPS-SFYZADRCSA-N 1 0 279.300 0.628 10 5 CCBERO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423945844 534305957 /nfs/dbraw/zinc/30/59/57/534305957.db2.gz IGMKPVYJNJZRKN-SKDRFNHKSA-N 1 0 279.296 0.779 10 5 CCBERO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000423959441 534306040 /nfs/dbraw/zinc/30/60/40/534306040.db2.gz RIDJOHMZHDGPCI-SKDRFNHKSA-N 1 0 279.296 0.779 10 5 CCBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000050442605 519920274 /nfs/dbraw/zinc/92/02/74/519920274.db2.gz QAIXJSPMFOXPBJ-UHFFFAOYSA-N 1 0 267.289 0.500 10 5 CCBERO C[NH2+][C@@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000062595958 522348940 /nfs/dbraw/zinc/34/89/40/522348940.db2.gz VZURUFXQRPDPJH-QMMMGPOBSA-N 1 0 271.248 0.576 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095091922 349590201 /nfs/dbraw/zinc/59/02/01/349590201.db2.gz FZMGFONAIUEMRB-MRVPVSSYSA-N 1 0 271.298 0.516 10 5 CCBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127221822 187290579 /nfs/dbraw/zinc/29/05/79/187290579.db2.gz GCJKXAHXDXLFOU-SECBINFHSA-N 1 0 281.316 0.874 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262412033 137042602 /nfs/dbraw/zinc/04/26/02/137042602.db2.gz ZHXUFHRDMDYUCF-CABZTGNLSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000262165020 137028958 /nfs/dbraw/zinc/02/89/58/137028958.db2.gz UDGZOCBIOCFOTA-CABZTGNLSA-N 1 0 269.276 0.404 10 5 CCBERO CCc1nn(C)c(N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000129189526 187416300 /nfs/dbraw/zinc/41/63/00/187416300.db2.gz UCVUWDYSNMYHMU-JTQLQIEISA-N 1 0 297.359 0.658 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408087214 357913082 /nfs/dbraw/zinc/91/30/82/357913082.db2.gz AODPYDMRTXEFKM-SECBINFHSA-N 1 0 264.285 0.843 10 5 CCBERO C[NH2+]C[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596033113 360779113 /nfs/dbraw/zinc/77/91/13/360779113.db2.gz QOGNPWPDLLMJAF-ZETCQYMHSA-N 1 0 252.274 0.714 10 5 CCBERO CCc1nn(C)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000301920634 201263014 /nfs/dbraw/zinc/26/30/14/201263014.db2.gz CZLSDRFQWIRFPU-MNOVXSKESA-N 1 0 295.343 0.410 10 5 CCBERO O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000569595936 291692555 /nfs/dbraw/zinc/69/25/55/291692555.db2.gz YTUDNWYHUUHZRK-NWDGAFQWSA-N 1 0 277.280 0.408 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCCO[C@@H](C[NH3+])C1 ZINC000313367108 389113433 /nfs/dbraw/zinc/11/34/33/389113433.db2.gz PRFIGQRLABMMHW-NSHDSACASA-N 1 0 266.301 0.852 10 5 CCBERO O=[N+]([O-])c1cc(F)c(NC[C@@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000420252555 389974003 /nfs/dbraw/zinc/97/40/03/389974003.db2.gz OANSOWINQQMPKT-WKEGUHRASA-N 1 0 273.239 0.865 10 5 CCBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285433958 196283727 /nfs/dbraw/zinc/28/37/27/196283727.db2.gz WXQCLOPRIWGEOX-ZETCQYMHSA-N 1 0 253.262 0.094 10 5 CCBERO [NH3+][C@@H]1C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036263967 172557073 /nfs/dbraw/zinc/55/70/73/172557073.db2.gz QLUWFZVVRYMXJH-SFYZADRCSA-N 1 0 291.716 0.626 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000130260545 281014786 /nfs/dbraw/zinc/01/47/86/281014786.db2.gz BRJNHFQWZAEEMY-NWDGAFQWSA-N 1 0 278.312 0.817 10 5 CCBERO C[NH2+][C@@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(N)=O ZINC000062541851 522350235 /nfs/dbraw/zinc/35/02/35/522350235.db2.gz ITJWELWUYGBRAS-VIFPVBQESA-N 1 0 267.285 0.745 10 5 CCBERO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000165881145 623693936 /nfs/dbraw/zinc/69/39/36/623693936.db2.gz YZHASBKVWBJZHV-SECBINFHSA-N 1 0 255.249 0.898 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000157406808 624870848 /nfs/dbraw/zinc/87/08/48/624870848.db2.gz LXZVGDHEXABINX-SECBINFHSA-N 1 0 282.256 0.903 10 5 CCBERO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000165797854 636911957 /nfs/dbraw/zinc/91/19/57/636911957.db2.gz OKEMRNJQDHWGSD-VIFPVBQESA-N 1 0 282.256 0.667 10 5 CCBERO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CC[NH2+]C3)cc2N1 ZINC000131919516 647531950 /nfs/dbraw/zinc/53/19/50/647531950.db2.gz ACFIBFRTQMXQGY-MRVPVSSYSA-N 1 0 292.295 0.947 10 5 CCBERO CS(=O)(=O)Nc1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000111377327 717148177 /nfs/dbraw/zinc/14/81/77/717148177.db2.gz HZSHEZZYJSGHPX-UHFFFAOYSA-N 1 0 296.416 0.704 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)C[C@@H]1CC[NH2+]C1 ZINC000095091892 349589825 /nfs/dbraw/zinc/58/98/25/349589825.db2.gz HMGIXFIINKKDTL-CQLKUDPESA-N 1 0 255.299 0.707 10 5 CCBERO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCOCC[NH2+]C ZINC000600952551 362097896 /nfs/dbraw/zinc/09/78/96/362097896.db2.gz ZHVXDUOPNNWQOT-UHFFFAOYSA-N 1 0 285.348 0.792 10 5 CCBERO C[NH2+]CCOCCN(C)c1c([N+](=O)[O-])ncn1C ZINC000600954212 362099355 /nfs/dbraw/zinc/09/93/55/362099355.db2.gz SHVRWZBUFZVSOH-UHFFFAOYSA-N 1 0 257.294 0.001 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113229954 349805748 /nfs/dbraw/zinc/80/57/48/349805748.db2.gz BVCQHPNHVUFOKV-WDEREUQCSA-N 1 0 293.327 0.486 10 5 CCBERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000262240506 137032592 /nfs/dbraw/zinc/03/25/92/137032592.db2.gz KYGVUWCIGSLYJD-SKDRFNHKSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263248407 137061606 /nfs/dbraw/zinc/06/16/06/137061606.db2.gz POBZGRCZIIBWTH-BXKDBHETSA-N 1 0 285.731 0.918 10 5 CCBERO C[C@H](CC[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000311599408 137075273 /nfs/dbraw/zinc/07/52/73/137075273.db2.gz SQAHSDDJPVMPDQ-SSDOTTSWSA-N 1 0 288.329 0.391 10 5 CCBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263193649 137059920 /nfs/dbraw/zinc/05/99/20/137059920.db2.gz IEZVEGHNDIAYKA-DGCLKSJQSA-N 1 0 295.339 0.663 10 5 CCBERO O=C(CNc1ccc(F)cc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000037716346 348199301 /nfs/dbraw/zinc/19/93/01/348199301.db2.gz SZFPMJPLHUIYLK-UHFFFAOYSA-N 1 0 282.275 0.578 10 5 CCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](N3CCOCC3)C2)n1 ZINC000176269148 351166207 /nfs/dbraw/zinc/16/62/07/351166207.db2.gz VKPSMOYSYGUGAR-LBPRGKRZSA-N 1 0 295.343 0.198 10 5 CCBERO Cc1cc(N2CCN(C)C[C@H]2C[NH3+])ncc1[N+](=O)[O-] ZINC000250961887 352508819 /nfs/dbraw/zinc/50/88/19/352508819.db2.gz JVOLTKPWMWUYCY-SNVBAGLBSA-N 1 0 265.317 0.377 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557318898 291030605 /nfs/dbraw/zinc/03/06/05/291030605.db2.gz ANBHTCJIWKKUTB-LBPRGKRZSA-N 1 0 265.317 0.908 10 5 CCBERO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000423959437 235128314 /nfs/dbraw/zinc/12/83/14/235128314.db2.gz RIDJOHMZHDGPCI-CABZTGNLSA-N 1 0 279.296 0.779 10 5 CCBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179659531 189211116 /nfs/dbraw/zinc/21/11/16/189211116.db2.gz DLTKUDPKYJGRDB-QMMMGPOBSA-N 1 0 265.273 0.238 10 5 CCBERO O=[N+]([O-])c1ccc2nc(N3CC[NH2+]CC3)cnc2c1 ZINC000025964598 285149293 /nfs/dbraw/zinc/14/92/93/285149293.db2.gz BGTFKMGKEHWOMQ-UHFFFAOYSA-N 1 0 259.269 0.948 10 5 CCBERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301660534 389055857 /nfs/dbraw/zinc/05/58/57/389055857.db2.gz MMTKTNRGRMWIAC-RYUDHWBXSA-N 1 0 278.312 0.817 10 5 CCBERO C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C[NH3+])C1 ZINC000261549359 389271395 /nfs/dbraw/zinc/27/13/95/389271395.db2.gz HTAGFMBHLSFSQR-BDAKNGLRSA-N 1 0 253.306 0.892 10 5 CCBERO COc1cccc(NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420249143 389973074 /nfs/dbraw/zinc/97/30/74/389973074.db2.gz ISRPPZDACUJCEL-WCBMZHEXSA-N 1 0 267.285 0.596 10 5 CCBERO Cc1ccnc(NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420252482 389973820 /nfs/dbraw/zinc/97/38/20/389973820.db2.gz NSLWFWWDRVFSJU-IUCAKERBSA-N 1 0 252.274 0.290 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091923 184941368 /nfs/dbraw/zinc/94/13/68/184941368.db2.gz MTFAGFKVNRGGTF-SECBINFHSA-N 1 0 285.325 0.763 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095091926 184941462 /nfs/dbraw/zinc/94/14/62/184941462.db2.gz ZXCADKBYKKDKJX-QMMMGPOBSA-N 1 0 271.298 0.373 10 5 CCBERO COc1cc([N+](=O)[O-])ccc1NC(=N)NC(N)=[NH2+] ZINC000006289129 170188849 /nfs/dbraw/zinc/18/88/49/170188849.db2.gz FKKOEQHKMFZJGC-UHFFFAOYSA-N 1 0 252.234 0.433 10 5 CCBERO Cc1ccc(C(=O)NC2[C@H]3C[NH2+]C[C@@H]23)cc1[N+](=O)[O-] ZINC000036236528 172534055 /nfs/dbraw/zinc/53/40/55/172534055.db2.gz SACRAHSABYXUNK-DHHPTOIESA-N 1 0 261.281 0.851 10 5 CCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036265578 172560606 /nfs/dbraw/zinc/56/06/06/172560606.db2.gz VLMXCXGHVKZEPD-GXSJLCMTSA-N 1 0 297.336 0.577 10 5 CCBERO C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C[NH3+])C1 ZINC000235660246 299988649 /nfs/dbraw/zinc/98/86/49/299988649.db2.gz HTAGFMBHLSFSQR-DTWKUNHWSA-N 1 0 253.306 0.892 10 5 CCBERO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000385154526 336141154 /nfs/dbraw/zinc/14/11/54/336141154.db2.gz KQWNMIBPCBBLAU-UHFFFAOYSA-N 1 0 299.352 0.924 10 5 CCBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000183234697 525375330 /nfs/dbraw/zinc/37/53/30/525375330.db2.gz LTHPXOIXGOPQOS-JQWIXIFHSA-N 1 0 281.312 0.914 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262326426 526623577 /nfs/dbraw/zinc/62/35/77/526623577.db2.gz RWEXRTAARBXKFY-LDYMZIIASA-N 1 0 283.259 0.044 10 5 CCBERO CCOc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420254141 528328349 /nfs/dbraw/zinc/32/83/49/528328349.db2.gz RCBAABZUIGTIFB-SKDRFNHKSA-N 1 0 281.312 0.986 10 5 CCBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261568259 536344380 /nfs/dbraw/zinc/34/43/80/536344380.db2.gz JNVNQIZOLGYCIE-ZETCQYMHSA-N 1 0 291.304 0.620 10 5 CCBERO COc1cc(NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000111050839 349765622 /nfs/dbraw/zinc/76/56/22/349765622.db2.gz WXGJZPQHBWBADU-UHFFFAOYSA-N 1 0 294.311 0.447 10 5 CCBERO C[NH2+]CCOCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000600954217 362099405 /nfs/dbraw/zinc/09/94/05/362099405.db2.gz SVLTXDSOVPQOEY-UHFFFAOYSA-N 1 0 268.317 0.970 10 5 CCBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000602724233 362772317 /nfs/dbraw/zinc/77/23/17/362772317.db2.gz LQOORWYTXSOJDX-QWHCGFSZSA-N 1 0 266.297 0.877 10 5 CCBERO C[C@@H](CC[NH3+])Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000310773491 137072326 /nfs/dbraw/zinc/07/23/26/137072326.db2.gz PTRLGNWBULQXOH-ZETCQYMHSA-N 1 0 252.274 0.843 10 5 CCBERO O=c1[nH]cnc2cc(NC[C@@H]3CCC[NH2+]3)c([N+](=O)[O-])cc21 ZINC000053255255 348524043 /nfs/dbraw/zinc/52/40/43/348524043.db2.gz GBPGGQWHSMAXNV-QMMMGPOBSA-N 1 0 289.295 0.995 10 5 CCBERO COCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000105688707 186067919 /nfs/dbraw/zinc/06/79/19/186067919.db2.gz VDYCWOYCMZQLIE-SNVBAGLBSA-N 1 0 270.285 0.571 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000228376982 352074326 /nfs/dbraw/zinc/07/43/26/352074326.db2.gz ZSSOSWPGRBOJSU-GXSJLCMTSA-N 1 0 266.301 0.851 10 5 CCBERO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000408020113 357870233 /nfs/dbraw/zinc/87/02/33/357870233.db2.gz CJQNYOYRFXWWAD-SECBINFHSA-N 1 0 281.316 0.413 10 5 CCBERO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCOC1 ZINC000591590766 359603517 /nfs/dbraw/zinc/60/35/17/359603517.db2.gz YNQNQUJYYMWADL-SECBINFHSA-N 1 0 265.269 0.769 10 5 CCBERO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH2+]CCOC1 ZINC000591593286 359604701 /nfs/dbraw/zinc/60/47/01/359604701.db2.gz GYCCWOHSTAQNQG-LLVKDONJSA-N 1 0 279.296 0.447 10 5 CCBERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592332227 359819684 /nfs/dbraw/zinc/81/96/84/359819684.db2.gz HJRWAYISOKMZMV-GMSGAONNSA-N 1 0 280.284 0.566 10 5 CCBERO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599010501 361554302 /nfs/dbraw/zinc/55/43/02/361554302.db2.gz AFJFFQZZRXNHSH-CMPLNLGQSA-N 1 0 282.296 0.843 10 5 CCBERO C[C@@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000111302729 284645913 /nfs/dbraw/zinc/64/59/13/284645913.db2.gz USQXDSWVJYDHLA-ZETCQYMHSA-N 1 0 273.314 0.757 10 5 CCBERO Cc1cnc(NC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])c1 ZINC000420248216 389972835 /nfs/dbraw/zinc/97/28/35/389972835.db2.gz HXFZPGVLKTZCDU-WCBMZHEXSA-N 1 0 252.274 0.290 10 5 CCBERO Cc1ccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420250136 389973228 /nfs/dbraw/zinc/97/32/28/389973228.db2.gz JRQWVHFFGSXHQO-CABZTGNLSA-N 1 0 251.286 0.895 10 5 CCBERO CCC[NH2+]C[C@@H](O)COc1cccnc1[N+](=O)[O-] ZINC000034978736 171911546 /nfs/dbraw/zinc/91/15/46/171911546.db2.gz KSGJLONYJPTYQC-SECBINFHSA-N 1 0 255.274 0.729 10 5 CCBERO CNC(=O)COc1ccc([N+](=O)[O-])cc1C[NH2+]C ZINC000035414640 172188361 /nfs/dbraw/zinc/18/83/61/172188361.db2.gz OERJUAOAHOQIGP-UHFFFAOYSA-N 1 0 253.258 0.439 10 5 CCBERO O=[N+]([O-])c1c(CN2CC[NH2+]CC2)nc2ccccn21 ZINC000037399725 173177424 /nfs/dbraw/zinc/17/74/24/173177424.db2.gz WPXKFECANWGFEF-UHFFFAOYSA-N 1 0 261.285 0.648 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000038031687 174027150 /nfs/dbraw/zinc/02/71/50/174027150.db2.gz FMSRASQSBNVOJK-UHFFFAOYSA-N 1 0 296.302 0.602 10 5 CCBERO O=[N+]([O-])c1cnc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000245569945 275041659 /nfs/dbraw/zinc/04/16/59/275041659.db2.gz GJUXVICTZLWOQF-JTQLQIEISA-N 1 0 288.311 0.922 10 5 CCBERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(O)cc1[N+](=O)[O-] ZINC000052791716 521829736 /nfs/dbraw/zinc/82/97/36/521829736.db2.gz FZPJZMVWFNZIGD-MRVPVSSYSA-N 1 0 269.257 0.603 10 5 CCBERO C[NH2+]CCS(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000049629994 522013604 /nfs/dbraw/zinc/01/36/04/522013604.db2.gz BQNLABIURBMSRW-UHFFFAOYSA-N 1 0 273.314 0.864 10 5 CCBERO CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000122788626 616247388 /nfs/dbraw/zinc/24/73/88/616247388.db2.gz ODDJWHLISJQSAL-GFCCVEGCSA-N 1 0 250.302 0.674 10 5 CCBERO [NH3+]C1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000036265767 649055538 /nfs/dbraw/zinc/05/55/38/649055538.db2.gz RRWGRWAISAGVNK-UHFFFAOYSA-N 1 0 271.298 0.363 10 5 CCBERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C[NH3+] ZINC000600966420 362104083 /nfs/dbraw/zinc/10/40/83/362104083.db2.gz NZGSUKPFGYUSNC-IUCAKERBSA-N 1 0 266.301 0.600 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262226340 137032010 /nfs/dbraw/zinc/03/20/10/137032010.db2.gz JYTPMVBSAUUKMZ-WRWORJQWSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263267125 137062018 /nfs/dbraw/zinc/06/20/18/137062018.db2.gz RREZDIKFPWDCQS-PWSUYJOCSA-N 1 0 251.286 0.265 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000052943257 348518028 /nfs/dbraw/zinc/51/80/28/348518028.db2.gz NNJAQEMFCMVMCA-VXGBXAGGSA-N 1 0 279.296 0.588 10 5 CCBERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262140457 352581770 /nfs/dbraw/zinc/58/17/70/352581770.db2.gz HDQZGKMFPYGOSE-GXSJLCMTSA-N 1 0 279.296 0.213 10 5 CCBERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000300590669 354065918 /nfs/dbraw/zinc/06/59/18/354065918.db2.gz UXSZNAKSYWEPAO-JLLWLGSASA-N 1 0 268.317 0.930 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000153109272 283036624 /nfs/dbraw/zinc/03/66/24/283036624.db2.gz WPQITLZHACXUPY-QWRGUYRKSA-N 1 0 264.285 0.509 10 5 CCBERO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592294472 359813214 /nfs/dbraw/zinc/81/32/14/359813214.db2.gz FRDXUKCUFYQNPG-ZCFIWIBFSA-N 1 0 254.246 0.163 10 5 CCBERO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](C[NH3+])C(F)(F)F ZINC000595994685 360769012 /nfs/dbraw/zinc/76/90/12/360769012.db2.gz IPTSZIJVGIFETI-ZETCQYMHSA-N 1 0 280.206 0.885 10 5 CCBERO C[C@H](C[NH3+])Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000111302730 284645873 /nfs/dbraw/zinc/64/58/73/284645873.db2.gz USQXDSWVJYDHLA-SSDOTTSWSA-N 1 0 273.314 0.757 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000095091845 285167392 /nfs/dbraw/zinc/16/73/92/285167392.db2.gz CLNQWAIUORHOSG-SSDOTTSWSA-N 1 0 257.271 0.125 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415496732 389688002 /nfs/dbraw/zinc/68/80/02/389688002.db2.gz GTPKQFABEQEJJL-KCJUWKMLSA-N 1 0 280.284 0.297 10 5 CCBERO C[C@H](C[NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420221956 389967593 /nfs/dbraw/zinc/96/75/93/389967593.db2.gz VIGGRDSSHDRYSU-SSDOTTSWSA-N 1 0 288.329 0.249 10 5 CCBERO C[C@@H](C[NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420221957 389967803 /nfs/dbraw/zinc/96/78/03/389967803.db2.gz VIGGRDSSHDRYSU-ZETCQYMHSA-N 1 0 288.329 0.249 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420252811 389974007 /nfs/dbraw/zinc/97/40/07/389974007.db2.gz OQGNTSOMMGSIJO-KCJUWKMLSA-N 1 0 267.285 0.596 10 5 CCBERO Cc1ccnc(NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420252484 389974021 /nfs/dbraw/zinc/97/40/21/389974021.db2.gz NSLWFWWDRVFSJU-RKDXNWHRSA-N 1 0 252.274 0.290 10 5 CCBERO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261566627 131152307 /nfs/dbraw/zinc/15/23/07/131152307.db2.gz ZHFAWZSABDVNFX-UWVGGRQHSA-N 1 0 251.242 0.256 10 5 CCBERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000036260116 172552501 /nfs/dbraw/zinc/55/25/01/172552501.db2.gz YLLNHUXNULMLNP-XLDPMVHQSA-N 1 0 264.285 0.745 10 5 CCBERO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261278 172553834 /nfs/dbraw/zinc/55/38/34/172553834.db2.gz BPRLJIMXTMTLGG-RNFRBKRXSA-N 1 0 271.298 0.061 10 5 CCBERO Cc1ccc(N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000038031659 174027308 /nfs/dbraw/zinc/02/73/08/174027308.db2.gz MBHLMINAFKIYTQ-UHFFFAOYSA-N 1 0 292.339 0.771 10 5 CCBERO Cc1cc(NC[C@H]2C[NH2+]CCCO2)ncc1[N+](=O)[O-] ZINC000390172133 262146891 /nfs/dbraw/zinc/14/68/91/262146891.db2.gz CSGIBJAYOIYFDP-SNVBAGLBSA-N 1 0 266.301 0.511 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000153109390 277125480 /nfs/dbraw/zinc/12/54/80/277125480.db2.gz WPQITLZHACXUPY-WDEREUQCSA-N 1 0 264.285 0.509 10 5 CCBERO CNC(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000213309203 326901825 /nfs/dbraw/zinc/90/18/25/326901825.db2.gz RSNKLGMNBNLLAZ-UHFFFAOYSA-N 1 0 250.258 0.338 10 5 CCBERO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H](C)[NH3+] ZINC000381670762 336070290 /nfs/dbraw/zinc/07/02/90/336070290.db2.gz BXELWGVIRBDLBP-NTSWFWBYSA-N 1 0 253.262 0.236 10 5 CCBERO C[NH+](C)C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000152990237 615930979 /nfs/dbraw/zinc/93/09/79/615930979.db2.gz SHMQIXXRWNKOSH-LLVKDONJSA-N 1 0 269.305 0.011 10 5 CCBERO C[NH+](C)C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000152990362 615947299 /nfs/dbraw/zinc/94/72/99/615947299.db2.gz SHMQIXXRWNKOSH-NSHDSACASA-N 1 0 269.305 0.011 10 5 CCBERO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000050249563 624804236 /nfs/dbraw/zinc/80/42/36/624804236.db2.gz SDWVXBCKUNUXCJ-SSDOTTSWSA-N 1 0 263.257 0.916 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1NCCOCC[NH2+]C ZINC000600951114 362097970 /nfs/dbraw/zinc/09/79/70/362097970.db2.gz HHGIILMDQXJNRF-UHFFFAOYSA-N 1 0 271.321 0.768 10 5 CCBERO C[NH2+]CCOCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000600952123 362098365 /nfs/dbraw/zinc/09/83/65/362098365.db2.gz RCTBPOHGECULFM-UHFFFAOYSA-N 1 0 254.290 0.368 10 5 CCBERO Cc1cc(N(C)CCOCC[NH3+])ncc1[N+](=O)[O-] ZINC000600956220 362100449 /nfs/dbraw/zinc/10/04/49/362100449.db2.gz QCZRRGLMFSWVDN-UHFFFAOYSA-N 1 0 254.290 0.710 10 5 CCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000408094867 137836211 /nfs/dbraw/zinc/83/62/11/137836211.db2.gz JJRHRWCUBAWEQD-MRVPVSSYSA-N 1 0 267.289 0.104 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261782308 137019442 /nfs/dbraw/zinc/01/94/42/137019442.db2.gz HNKGHKMSEPHWCV-JTQLQIEISA-N 1 0 295.343 0.686 10 5 CCBERO O=C(CNc1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]CC1 ZINC000037716362 348199424 /nfs/dbraw/zinc/19/94/24/348199424.db2.gz QJSWXALRLJDUGN-UHFFFAOYSA-N 1 0 282.275 0.578 10 5 CCBERO Cc1cnc(N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000251083565 352509595 /nfs/dbraw/zinc/50/95/95/352509595.db2.gz QZAXZVLDCUDAFH-SNVBAGLBSA-N 1 0 265.317 0.377 10 5 CCBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262059494 352574899 /nfs/dbraw/zinc/57/48/99/352574899.db2.gz ATLWZVBOZTZOPJ-DGCLKSJQSA-N 1 0 293.323 0.224 10 5 CCBERO C[C@H]([NH3+])[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000381670765 357710595 /nfs/dbraw/zinc/71/05/95/357710595.db2.gz BXELWGVIRBDLBP-WDSKDSINSA-N 1 0 253.262 0.236 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000592549109 359882788 /nfs/dbraw/zinc/88/27/88/359882788.db2.gz RXWLZORTKDXAMK-ONGXEEELSA-N 1 0 279.296 0.213 10 5 CCBERO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C[NH3+])C(F)(F)F ZINC000596000758 360772313 /nfs/dbraw/zinc/77/23/13/360772313.db2.gz ONNBZGISIXNJJY-ZETCQYMHSA-N 1 0 295.221 0.139 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000095091855 285167457 /nfs/dbraw/zinc/16/74/57/285167457.db2.gz IDDWZGJSPAGQLY-VIFPVBQESA-N 1 0 285.325 0.763 10 5 CCBERO Cc1cc(NC[C@@H]2C[NH2+]CCCO2)ncc1[N+](=O)[O-] ZINC000390172131 262146700 /nfs/dbraw/zinc/14/67/00/262146700.db2.gz CSGIBJAYOIYFDP-JTQLQIEISA-N 1 0 266.301 0.511 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569978 388794082 /nfs/dbraw/zinc/79/40/82/388794082.db2.gz SKWXZAPWERFXBG-IUCAKERBSA-N 1 0 279.300 0.627 10 5 CCBERO Cc1nn(C)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000301654426 389055894 /nfs/dbraw/zinc/05/58/94/389055894.db2.gz KSTCXGOKZCMOGY-ZJUUUORDSA-N 1 0 281.316 0.156 10 5 CCBERO CCNC(=O)COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414591 172188772 /nfs/dbraw/zinc/18/87/72/172188772.db2.gz GRIAUAUQSAMSQT-UHFFFAOYSA-N 1 0 253.258 0.568 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000471715373 277124599 /nfs/dbraw/zinc/12/45/99/277124599.db2.gz MAHQITJNMXZAHC-GHMZBOCLSA-N 1 0 264.285 0.509 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000408339301 281014776 /nfs/dbraw/zinc/01/47/76/281014776.db2.gz BRJNHFQWZAEEMY-RYUDHWBXSA-N 1 0 278.312 0.817 10 5 CCBERO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000359972617 533962298 /nfs/dbraw/zinc/96/22/98/533962298.db2.gz GGOWKARCKUIXEF-NEPJUHHUSA-N 1 0 266.297 0.831 10 5 CCBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000183110059 525374952 /nfs/dbraw/zinc/37/49/52/525374952.db2.gz RIECVEPOTHUZDV-VHSXEESVSA-N 1 0 254.290 0.948 10 5 CCBERO NS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093750 527318123 /nfs/dbraw/zinc/31/81/23/527318123.db2.gz GJECSOSCAGYWQW-SSDOTTSWSA-N 1 0 286.313 0.016 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000153231755 637688441 /nfs/dbraw/zinc/68/84/41/637688441.db2.gz QEVPSGJUBLYKGN-GHMZBOCLSA-N 1 0 265.317 0.917 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000247128292 649703352 /nfs/dbraw/zinc/70/33/52/649703352.db2.gz QEVPSGJUBLYKGN-MNOVXSKESA-N 1 0 265.317 0.917 10 5 CCBERO CN1C=CC([C@H](O)[NH2+]CCC[N+](C)(C)C)=C/C1=C/N=O ZINC000137050042 717151412 /nfs/dbraw/zinc/15/14/12/717151412.db2.gz VXSZESOTZXIIEG-FZDNWWAKSA-N 1 0 281.380 0.984 10 5 CCBERO O=[N+]([O-])c1ccc2oc(S(=O)(=O)[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092148 349590020 /nfs/dbraw/zinc/59/00/20/349590020.db2.gz VUTYXNHSWKWBHO-MRVPVSSYSA-N 1 0 297.292 0.872 10 5 CCBERO Cc1nn(C)c(N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000301141147 282271829 /nfs/dbraw/zinc/27/18/29/282271829.db2.gz BLMBJYNYLWIVTO-SECBINFHSA-N 1 0 253.306 0.777 10 5 CCBERO CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000261891387 137024370 /nfs/dbraw/zinc/02/43/70/137024370.db2.gz VPQAESRQDLDNFZ-LLVKDONJSA-N 1 0 267.333 0.851 10 5 CCBERO CCc1n[nH]c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000171805719 350935491 /nfs/dbraw/zinc/93/54/91/350935491.db2.gz ZIEMPGGRAKRWBP-VIFPVBQESA-N 1 0 293.327 0.801 10 5 CCBERO CC[C@H](O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248369 351164989 /nfs/dbraw/zinc/16/49/89/351164989.db2.gz VVRKHYSFHNMYFA-LBPRGKRZSA-N 1 0 297.359 0.180 10 5 CCBERO CC(C)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236753746 352209984 /nfs/dbraw/zinc/20/99/84/352209984.db2.gz BBTBEOUWHZGGKL-NWDGAFQWSA-N 1 0 254.286 0.987 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285127695 353558040 /nfs/dbraw/zinc/55/80/40/353558040.db2.gz RYVMJYDPHKKZHY-NXEZZACHSA-N 1 0 281.316 0.238 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000359563318 356844812 /nfs/dbraw/zinc/84/48/12/356844812.db2.gz ZJBKEUZEBVBLIN-QWRGUYRKSA-N 1 0 295.343 0.639 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404115222 357815545 /nfs/dbraw/zinc/81/55/45/357815545.db2.gz CBQXRNXKKVSQKN-IUCAKERBSA-N 1 0 297.336 0.859 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404115220 357815942 /nfs/dbraw/zinc/81/59/42/357815942.db2.gz CBQXRNXKKVSQKN-BDAKNGLRSA-N 1 0 297.336 0.859 10 5 CCBERO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H](C[NH3+])C(F)(F)F ZINC000596005159 360773409 /nfs/dbraw/zinc/77/34/09/360773409.db2.gz VCJRFAVGVABGLH-QMMMGPOBSA-N 1 0 294.233 0.895 10 5 CCBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000599012267 361554973 /nfs/dbraw/zinc/55/49/73/361554973.db2.gz QZVAQFMGCYWFMR-NEPJUHHUSA-N 1 0 252.270 0.834 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000095091854 285167390 /nfs/dbraw/zinc/16/73/90/285167390.db2.gz IDDWZGJSPAGQLY-SECBINFHSA-N 1 0 285.325 0.763 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569976 388794438 /nfs/dbraw/zinc/79/44/38/388794438.db2.gz SKWXZAPWERFXBG-DTWKUNHWSA-N 1 0 279.300 0.627 10 5 CCBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000225248378 389145221 /nfs/dbraw/zinc/14/52/21/389145221.db2.gz SRWBKRNOCBGOFC-WCQGTBRESA-N 1 0 284.316 0.309 10 5 CCBERO Cc1nn(C)c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408027697 389820369 /nfs/dbraw/zinc/82/03/69/389820369.db2.gz OUEQJGUGCGGKPN-QWRGUYRKSA-N 1 0 295.343 0.546 10 5 CCBERO Cc1ccnc(NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420252479 389973877 /nfs/dbraw/zinc/97/38/77/389973877.db2.gz NSLWFWWDRVFSJU-BDAKNGLRSA-N 1 0 252.274 0.290 10 5 CCBERO CC(C)[NH2+]C[C@H](O)Cn1cccc([N+](=O)[O-])c1=O ZINC000050445387 519724769 /nfs/dbraw/zinc/72/47/69/519724769.db2.gz JRJNRGFWLNWCQV-VIFPVBQESA-N 1 0 255.274 0.115 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095091948 349590103 /nfs/dbraw/zinc/59/01/03/349590103.db2.gz GJXMIFJVUGKLLU-XYZCENFISA-N 1 0 255.299 0.849 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262337583 137039086 /nfs/dbraw/zinc/03/90/86/137039086.db2.gz SUIPGGBVBYQGGB-WRWORJQWSA-N 1 0 299.714 0.558 10 5 CCBERO O=[N+]([O-])c1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263112173 137058217 /nfs/dbraw/zinc/05/82/17/137058217.db2.gz AJNWEERPBSERKZ-ZYHUDNBSSA-N 1 0 251.286 0.265 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262326420 137038492 /nfs/dbraw/zinc/03/84/92/137038492.db2.gz RWEXRTAARBXKFY-GZMMTYOYSA-N 1 0 283.259 0.044 10 5 CCBERO O=C(CNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000037716303 348199226 /nfs/dbraw/zinc/19/92/26/348199226.db2.gz NZBVVFJERCXISK-UHFFFAOYSA-N 1 0 264.285 0.439 10 5 CCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855029 350867841 /nfs/dbraw/zinc/86/78/41/350867841.db2.gz WAZNLORQQYZCRY-LLVKDONJSA-N 1 0 295.343 0.652 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284521276 353555672 /nfs/dbraw/zinc/55/56/72/353555672.db2.gz KCRLPRRRPFSKCZ-VHSXEESVSA-N 1 0 281.316 0.238 10 5 CCBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000310822605 354192654 /nfs/dbraw/zinc/19/26/54/354192654.db2.gz XJEUPSMBQLJGBL-APPZFPTMSA-N 1 0 252.274 0.495 10 5 CCBERO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCOC1 ZINC000591594395 359604246 /nfs/dbraw/zinc/60/42/46/359604246.db2.gz WNMISWGRKKZFTL-LLVKDONJSA-N 1 0 279.296 0.447 10 5 CCBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[NH2+]CCOC1 ZINC000591594595 359604492 /nfs/dbraw/zinc/60/44/92/359604492.db2.gz ZWVFMBVMZRHRLT-LLVKDONJSA-N 1 0 279.296 0.447 10 5 CCBERO COC[C@H]([NH3+])C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136484911 284887826 /nfs/dbraw/zinc/88/78/26/284887826.db2.gz DGTLVQAINPDSGP-QMMMGPOBSA-N 1 0 269.257 0.516 10 5 CCBERO C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000252221174 389263926 /nfs/dbraw/zinc/26/39/26/389263926.db2.gz ZBMAMIVRZHZORQ-WPRPVWTQSA-N 1 0 251.290 0.948 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000153169789 389296143 /nfs/dbraw/zinc/29/61/43/389296143.db2.gz SUKZDDPSNNCOFY-WDEREUQCSA-N 1 0 264.285 0.509 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000420258078 389974425 /nfs/dbraw/zinc/97/44/25/389974425.db2.gz XDBFPXABOIQIBU-MUWHJKNJSA-N 1 0 272.692 0.635 10 5 CCBERO CS(=O)(=O)c1ccc(N[C@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000036267560 172562476 /nfs/dbraw/zinc/56/24/76/172562476.db2.gz BHXHNDNQEGOJJJ-APPZFPTMSA-N 1 0 271.298 0.510 10 5 CCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000038031647 174026384 /nfs/dbraw/zinc/02/63/84/174026384.db2.gz LUQIUCAOADKEFZ-UHFFFAOYSA-N 1 0 296.302 0.602 10 5 CCBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1[NH3+] ZINC000261568284 274594346 /nfs/dbraw/zinc/59/43/46/274594346.db2.gz JTIVTQWJIFDVJX-NKWVEPMBSA-N 1 0 263.257 0.914 10 5 CCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408063408 277152219 /nfs/dbraw/zinc/15/22/19/277152219.db2.gz RBJIMKKZHBPMPF-RYUDHWBXSA-N 1 0 294.311 0.468 10 5 CCBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000129118963 277296499 /nfs/dbraw/zinc/29/64/99/277296499.db2.gz WFYGXAHVYJVZQY-SSDOTTSWSA-N 1 0 263.257 0.929 10 5 CCBERO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000165800265 636912465 /nfs/dbraw/zinc/91/24/65/636912465.db2.gz YYMRSDKJNIOODO-SSDOTTSWSA-N 1 0 279.256 0.295 10 5 CCBERO C[NH2+]C[C@@H]1CCCCN1c1c([N+](=O)[O-])ncn1C ZINC000063169509 637205693 /nfs/dbraw/zinc/20/56/93/637205693.db2.gz REFIQGCLXHSSKU-VIFPVBQESA-N 1 0 253.306 0.907 10 5 CCBERO C[NH2+]CCOCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000600954253 362099011 /nfs/dbraw/zinc/09/90/11/362099011.db2.gz UYPGHWQEHQQZAW-UHFFFAOYSA-N 1 0 268.317 0.970 10 5 CCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000408094868 137835984 /nfs/dbraw/zinc/83/59/84/137835984.db2.gz JJRHRWCUBAWEQD-QMMMGPOBSA-N 1 0 267.289 0.104 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262226338 137032032 /nfs/dbraw/zinc/03/20/32/137032032.db2.gz JYTPMVBSAUUKMZ-RDDDGLTNSA-N 1 0 283.259 0.044 10 5 CCBERO Cc1sc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262274439 137034218 /nfs/dbraw/zinc/03/42/18/137034218.db2.gz NGKUKJHLIIHVQK-VXNVDRBHSA-N 1 0 285.325 0.275 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000263238903 137061389 /nfs/dbraw/zinc/06/13/89/137061389.db2.gz OILLAGNWEMRNGG-JOYOIKCWSA-N 1 0 285.731 0.918 10 5 CCBERO Cc1nn(C)c(NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000037116623 348184326 /nfs/dbraw/zinc/18/43/26/348184326.db2.gz VZALZHBXAXYWQG-UHFFFAOYSA-N 1 0 282.348 0.344 10 5 CCBERO CC(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000040776783 348241855 /nfs/dbraw/zinc/24/18/55/348241855.db2.gz XDFMLHJAPYWCKT-CMPLNLGQSA-N 1 0 286.332 0.149 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH2+]CC1 ZINC000050442647 348475797 /nfs/dbraw/zinc/47/57/97/348475797.db2.gz DWENLZSPPVHLFV-UHFFFAOYSA-N 1 0 279.300 0.500 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(CC[NH3+])CC1 ZINC000070188643 348877457 /nfs/dbraw/zinc/87/74/57/348877457.db2.gz BUVSOMSLXWTMKH-UHFFFAOYSA-N 1 0 293.327 0.654 10 5 CCBERO CCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000074258560 348983173 /nfs/dbraw/zinc/98/31/73/348983173.db2.gz TXKHULFXERKFPR-UHFFFAOYSA-N 1 0 280.332 0.889 10 5 CCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000174847510 351106732 /nfs/dbraw/zinc/10/67/32/351106732.db2.gz OPJPINDRXWBAIE-LLVKDONJSA-N 1 0 291.315 0.720 10 5 CCBERO Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000228373764 352074021 /nfs/dbraw/zinc/07/40/21/352074021.db2.gz LUYFCSJEJAIGQJ-GXSJLCMTSA-N 1 0 266.301 0.851 10 5 CCBERO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263281090 352592673 /nfs/dbraw/zinc/59/26/73/352592673.db2.gz UFXKGWOFATYFSZ-ZYHUDNBSSA-N 1 0 251.286 0.265 10 5 CCBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262059496 352574834 /nfs/dbraw/zinc/57/48/34/352574834.db2.gz ATLWZVBOZTZOPJ-YPMHNXCESA-N 1 0 293.323 0.224 10 5 CCBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262059493 352574867 /nfs/dbraw/zinc/57/48/67/352574867.db2.gz ATLWZVBOZTZOPJ-AAEUAGOBSA-N 1 0 293.323 0.224 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000312667576 354209814 /nfs/dbraw/zinc/20/98/14/354209814.db2.gz IKRHBXUKJGSQJR-LSJOCFKGSA-N 1 0 278.312 0.743 10 5 CCBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404052915 357814818 /nfs/dbraw/zinc/81/48/18/357814818.db2.gz FUKGOLNGZAONDO-GHMZBOCLSA-N 1 0 280.284 0.126 10 5 CCBERO O=[N+]([O-])c1cnc(NCCC2CC[NH2+]CC2)nc1 ZINC000593232840 360053705 /nfs/dbraw/zinc/05/37/05/360053705.db2.gz DYLSKQPQBQIEMN-UHFFFAOYSA-N 1 0 251.290 0.608 10 5 CCBERO Cc1nn(C)c(NCC23CC(C2)C[NH2+]3)c1[N+](=O)[O-] ZINC000596026800 360777671 /nfs/dbraw/zinc/77/76/71/360777671.db2.gz MJSGZZZYTBBBSM-UHFFFAOYSA-N 1 0 251.290 0.801 10 5 CCBERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301660533 389056077 /nfs/dbraw/zinc/05/60/77/389056077.db2.gz MMTKTNRGRMWIAC-NWDGAFQWSA-N 1 0 278.312 0.817 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1F ZINC000420236101 389970245 /nfs/dbraw/zinc/97/02/45/389970245.db2.gz FSXBDILPEOJIBG-CPCISQLKSA-N 1 0 285.275 0.735 10 5 CCBERO CO[C@H]1C[NH2+]C[C@@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036268152 172563405 /nfs/dbraw/zinc/56/34/05/172563405.db2.gz QRNMGFXQZXNNKO-YUMQZZPRSA-N 1 0 255.278 0.035 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)CO ZINC000083441985 544487882 /nfs/dbraw/zinc/48/78/82/544487882.db2.gz PFQLOKAQEAEKRD-SECBINFHSA-N 1 0 260.677 0.691 10 5 CCBERO CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000054419522 522818225 /nfs/dbraw/zinc/81/82/25/522818225.db2.gz GYHXSTBUVDBBLH-UHFFFAOYSA-N 1 0 273.314 0.393 10 5 CCBERO NC(=O)[C@@H]([NH3+])CCSc1ccccc1[N+](=O)[O-] ZINC000062596679 526955175 /nfs/dbraw/zinc/95/51/75/526955175.db2.gz FUYVJPPRKUBEHH-ZETCQYMHSA-N 1 0 255.299 0.890 10 5 CCBERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261568058 536404083 /nfs/dbraw/zinc/40/40/83/536404083.db2.gz JNVNQIZOLGYCIE-SSDOTTSWSA-N 1 0 291.304 0.620 10 5 CCBERO C[NH+](C)CCNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000090998225 349445342 /nfs/dbraw/zinc/44/53/42/349445342.db2.gz IIWXOXIVXFNTEG-UHFFFAOYSA-N 1 0 287.341 0.972 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)C2CC[NH2+]CC2)nc1 ZINC000095091949 349589881 /nfs/dbraw/zinc/58/98/81/349589881.db2.gz RQAONVCTOJKMKA-QGZVFWFLSA-N 1 0 255.299 0.849 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262412035 137042396 /nfs/dbraw/zinc/04/23/96/137042396.db2.gz ZHXUFHRDMDYUCF-SKDRFNHKSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000263252627 137061870 /nfs/dbraw/zinc/06/18/70/137061870.db2.gz QBWONCSMSSDSHP-WCQYABFASA-N 1 0 265.313 0.573 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000263275148 137062551 /nfs/dbraw/zinc/06/25/51/137062551.db2.gz SSGVXICEGIEYHF-RKDXNWHRSA-N 1 0 257.315 0.326 10 5 CCBERO C[C@@H]([NH3+])CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000063171683 348680789 /nfs/dbraw/zinc/68/07/89/348680789.db2.gz RROMPFYZEATJOM-SSDOTTSWSA-N 1 0 288.329 0.391 10 5 CCBERO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193539374 351832012 /nfs/dbraw/zinc/83/20/12/351832012.db2.gz LHQRNZTZKLEPBP-VIFPVBQESA-N 1 0 280.284 0.472 10 5 CCBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000153887194 188109859 /nfs/dbraw/zinc/10/98/59/188109859.db2.gz XRTJPDKMZLXTIK-BDAKNGLRSA-N 1 0 281.316 0.776 10 5 CCBERO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420240333 234568365 /nfs/dbraw/zinc/56/83/65/234568365.db2.gz LTIDNAXMIUGYJX-RCOVLWMOSA-N 1 0 272.692 0.635 10 5 CCBERO COc1cccc(NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420249140 389972871 /nfs/dbraw/zinc/97/28/71/389972871.db2.gz ISRPPZDACUJCEL-PSASIEDQSA-N 1 0 267.285 0.596 10 5 CCBERO [NH3+]CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000021011975 171287530 /nfs/dbraw/zinc/28/75/30/171287530.db2.gz FWMSDLOOHOVIEU-UHFFFAOYSA-N 1 0 281.240 0.110 10 5 CCBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(N)=O ZINC000035414699 172188506 /nfs/dbraw/zinc/18/85/06/172188506.db2.gz JXNITPMBAZRUSM-UHFFFAOYSA-N 1 0 253.258 0.568 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2C[NH2+]C2)cc1 ZINC000035570506 172266148 /nfs/dbraw/zinc/26/61/48/172266148.db2.gz KEVJPVDOLVACOW-UHFFFAOYSA-N 1 0 271.298 0.093 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)o1 ZINC000038083387 174092653 /nfs/dbraw/zinc/09/26/53/174092653.db2.gz UCIKDOFOBHPMJG-MRVPVSSYSA-N 1 0 274.298 0.712 10 5 CCBERO COc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH3+])CC1=O ZINC000061628683 522975966 /nfs/dbraw/zinc/97/59/66/522975966.db2.gz SKDCZDSQDMXOCT-SSDOTTSWSA-N 1 0 251.242 0.667 10 5 CCBERO NC(=O)c1ccc(N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249771 527218269 /nfs/dbraw/zinc/21/82/69/527218269.db2.gz SJSFQTNPHIJEHK-QMMMGPOBSA-N 1 0 264.285 0.479 10 5 CCBERO C[NH2+]CCN(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000070304479 638478012 /nfs/dbraw/zinc/47/80/12/638478012.db2.gz JBZZPSYZPYZPRC-UHFFFAOYSA-N 1 0 251.246 0.787 10 5 CCBERO c1nc(C[N+]23CCN(CC2)CC3)nn1-c1ccccc1 ZINC000092197656 717138120 /nfs/dbraw/zinc/13/81/20/717138120.db2.gz CKVUAZITHVUYOJ-UHFFFAOYSA-N 1 0 270.360 0.913 10 5 CCBERO CCc1nn(C)c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000091741750 349474020 /nfs/dbraw/zinc/47/40/20/349474020.db2.gz CZLSDRFQWIRFPU-GHMZBOCLSA-N 1 0 295.343 0.410 10 5 CCBERO O=[N+]([O-])c1ccc([S@@](=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095091965 349590138 /nfs/dbraw/zinc/59/01/38/349590138.db2.gz SCJZRSICQAFXCO-WNWIJWBNSA-N 1 0 255.299 0.707 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262397195 137041920 /nfs/dbraw/zinc/04/19/20/137041920.db2.gz YKBHNGOLZVTMGS-SKDRFNHKSA-N 1 0 279.296 0.213 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262235127 137032468 /nfs/dbraw/zinc/03/24/68/137032468.db2.gz KLVQHGHKRIXOCC-WRWORJQWSA-N 1 0 299.714 0.558 10 5 CCBERO C[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000311923525 137075997 /nfs/dbraw/zinc/07/59/97/137075997.db2.gz UYMUDTRJSMSYOB-ZETCQYMHSA-N 1 0 267.289 0.628 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH2+]C1CC1 ZINC000054267932 348548075 /nfs/dbraw/zinc/54/80/75/348548075.db2.gz HAJAMONROQLEKY-UHFFFAOYSA-N 1 0 265.273 0.253 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000122327032 350063327 /nfs/dbraw/zinc/06/33/27/350063327.db2.gz FNMQMZPHNFQXCF-QMMMGPOBSA-N 1 0 252.274 0.497 10 5 CCBERO CN(CCC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000133822606 350345735 /nfs/dbraw/zinc/34/57/35/350345735.db2.gz UFCSUQLHOMVXTJ-UHFFFAOYSA-N 1 0 287.341 0.783 10 5 CCBERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000111304664 186393576 /nfs/dbraw/zinc/39/35/76/186393576.db2.gz OVBYRYCOGXREQR-ZCFIWIBFSA-N 1 0 253.262 0.238 10 5 CCBERO CN1CCO[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173339291 351035466 /nfs/dbraw/zinc/03/54/66/351035466.db2.gz KIMRUPUMBHECHZ-ZDUSSCGKSA-N 1 0 293.323 0.584 10 5 CCBERO Cc1cnc(N2CCO[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000228374503 352074380 /nfs/dbraw/zinc/07/43/80/352074380.db2.gz XVNMNHOJOMLDAX-ONGXEEELSA-N 1 0 266.301 0.851 10 5 CCBERO CC(C)[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236754253 352210270 /nfs/dbraw/zinc/21/02/70/352210270.db2.gz BBTBEOUWHZGGKL-NEPJUHHUSA-N 1 0 254.286 0.987 10 5 CCBERO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404233004 357819155 /nfs/dbraw/zinc/81/91/55/357819155.db2.gz RQUYBKKYUPXMSG-VHSXEESVSA-N 1 0 297.336 0.859 10 5 CCBERO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000592285413 359811280 /nfs/dbraw/zinc/81/12/80/359811280.db2.gz RDOGSCCXCZXHAK-ZETCQYMHSA-N 1 0 266.257 0.259 10 5 CCBERO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](C[NH3+])C(F)(F)F ZINC000596005158 360773291 /nfs/dbraw/zinc/77/32/91/360773291.db2.gz VCJRFAVGVABGLH-MRVPVSSYSA-N 1 0 294.233 0.895 10 5 CCBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185170308 388790531 /nfs/dbraw/zinc/79/05/31/388790531.db2.gz CCNXQMJAQNTGAF-CHWSQXEVSA-N 1 0 296.323 0.791 10 5 CCBERO Cc1cccc(NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420236717 389970217 /nfs/dbraw/zinc/97/02/17/389970217.db2.gz GLGNURKOCMPOTI-KOLCDFICSA-N 1 0 251.286 0.895 10 5 CCBERO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000036263954 172557390 /nfs/dbraw/zinc/55/73/90/172557390.db2.gz AVILPTZPSCYRHA-RKDXNWHRSA-N 1 0 271.298 0.281 10 5 CCBERO CN(c1ccc([N+](=O)[O-])c2nonc21)[C@H]1CC[NH2+]C1 ZINC000071311717 176118881 /nfs/dbraw/zinc/11/88/81/176118881.db2.gz LHQNQHRCIJQZLD-ZETCQYMHSA-N 1 0 263.257 0.929 10 5 CCBERO CC[C@H](C[NH3+])NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074534454 176579935 /nfs/dbraw/zinc/57/99/35/176579935.db2.gz YGNMEGUNDSAMAM-SNVBAGLBSA-N 1 0 251.286 0.991 10 5 CCBERO COCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052791204 521827741 /nfs/dbraw/zinc/82/77/41/521827741.db2.gz LCXWYCGZPQRIAL-SNVBAGLBSA-N 1 0 253.258 0.897 10 5 CCBERO C[NH2+][C@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000062539875 522462337 /nfs/dbraw/zinc/46/23/37/522462337.db2.gz CHOIYTLJQFNWML-SECBINFHSA-N 1 0 267.285 0.745 10 5 CCBERO CC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117324943 615564689 /nfs/dbraw/zinc/56/46/89/615564689.db2.gz VAIWWRKHNSRERW-GFCCVEGCSA-N 1 0 297.359 0.791 10 5 CCBERO COc1ncnc(NCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000082486502 178055389 /nfs/dbraw/zinc/05/53/89/178055389.db2.gz KVIJXATYWIBGRJ-UHFFFAOYSA-N 1 0 255.278 0.757 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1F ZINC000262285386 137034923 /nfs/dbraw/zinc/03/49/23/137034923.db2.gz ODYKMYIBEJDYTK-WRWORJQWSA-N 1 0 283.259 0.044 10 5 CCBERO [NH3+]CC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000033967284 348149217 /nfs/dbraw/zinc/14/92/17/348149217.db2.gz XTEHACHSQLKOST-UHFFFAOYSA-N 1 0 266.253 0.946 10 5 CCBERO O=[N+]([O-])c1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000034939024 348153466 /nfs/dbraw/zinc/15/34/66/348153466.db2.gz MKNJEGNMNHMXHC-UHFFFAOYSA-N 1 0 286.313 0.157 10 5 CCBERO COC[C@@H]([NH3+])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000159891274 350691181 /nfs/dbraw/zinc/69/11/81/350691181.db2.gz KDBQTAKIGJNDAQ-SNVBAGLBSA-N 1 0 253.258 0.185 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176244212 351163807 /nfs/dbraw/zinc/16/38/07/351163807.db2.gz CDYCICZZBPHRRW-NWDGAFQWSA-N 1 0 279.344 0.960 10 5 CCBERO O=[N+]([O-])c1cnc(NCCCN2CC[NH2+]CC2)s1 ZINC000226778952 352034047 /nfs/dbraw/zinc/03/40/47/352034047.db2.gz ZYDXNZLSPZGZCD-UHFFFAOYSA-N 1 0 271.346 0.759 10 5 CCBERO CC(C)[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000236753716 352210148 /nfs/dbraw/zinc/21/01/48/352210148.db2.gz BBTBEOUWHZGGKL-RYUDHWBXSA-N 1 0 254.286 0.987 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404115221 357816063 /nfs/dbraw/zinc/81/60/63/357816063.db2.gz CBQXRNXKKVSQKN-DTWKUNHWSA-N 1 0 297.336 0.859 10 5 CCBERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1[NH3+] ZINC000592341115 359821787 /nfs/dbraw/zinc/82/17/87/359821787.db2.gz RCSAKMAQEBFQSD-RCOVLWMOSA-N 1 0 266.257 0.115 10 5 CCBERO Cc1c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000179175439 189175386 /nfs/dbraw/zinc/17/53/86/189175386.db2.gz HGZAKFMISLARBX-NEPJUHHUSA-N 1 0 266.297 0.831 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000420258993 533035303 /nfs/dbraw/zinc/03/53/03/533035303.db2.gz YDVBWONWLUQCFS-HQJQHLMTSA-N 1 0 285.275 0.735 10 5 CCBERO O=[N+]([O-])c1cccnc1NC[C@H]1C[NH2+]CCCO1 ZINC000390184950 389772689 /nfs/dbraw/zinc/77/26/89/389772689.db2.gz GBCWIHYYKHJWPP-SECBINFHSA-N 1 0 252.274 0.780 10 5 CCBERO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420252990 389974019 /nfs/dbraw/zinc/97/40/19/389974019.db2.gz OZVDYFPODPCDJY-OIBJUYFYSA-N 1 0 255.249 0.726 10 5 CCBERO CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414588 172188599 /nfs/dbraw/zinc/18/85/99/172188599.db2.gz PQDQYCORHQDMMD-UHFFFAOYSA-N 1 0 253.258 0.521 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000037232281 173051300 /nfs/dbraw/zinc/05/13/00/173051300.db2.gz QFHWBAIERHDALA-UHFFFAOYSA-N 1 0 269.301 1.000 10 5 CCBERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000037373548 173162837 /nfs/dbraw/zinc/16/28/37/173162837.db2.gz WOUDOXWGINABQS-SLHIUPAKSA-N 1 0 265.244 0.682 10 5 CCBERO CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000385054053 329277732 /nfs/dbraw/zinc/27/77/32/329277732.db2.gz SZVZRAYHQDFLKW-UHFFFAOYSA-N 1 0 264.285 0.620 10 5 CCBERO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381695242 336070805 /nfs/dbraw/zinc/07/08/05/336070805.db2.gz GCRAWLYGHHIDHW-NKWVEPMBSA-N 1 0 252.274 0.841 10 5 CCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382456506 336090505 /nfs/dbraw/zinc/09/05/05/336090505.db2.gz JSJONLWEQLTDPS-HTQZYQBOSA-N 1 0 279.300 0.628 10 5 CCBERO CNC(=O)c1ccc(N(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000385105643 336138370 /nfs/dbraw/zinc/13/83/70/336138370.db2.gz BUTSETAQZBXYCJ-UHFFFAOYSA-N 1 0 278.312 0.880 10 5 CCBERO Cc1nn(CN2CCO[C@@H](C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000153010447 637651998 /nfs/dbraw/zinc/65/19/98/637651998.db2.gz HEECAMDRYCOMCT-LBPRGKRZSA-N 1 0 297.359 0.628 10 5 CCBERO CCc1nn(C)c(N2C[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600961964 362102212 /nfs/dbraw/zinc/10/22/12/362102212.db2.gz XOURFSZTFRXOLP-DTWKUNHWSA-N 1 0 267.333 0.922 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1[N+](=O)[O-] ZINC000262226334 137032053 /nfs/dbraw/zinc/03/20/53/137032053.db2.gz JYTPMVBSAUUKMZ-CPCISQLKSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263291699 137062866 /nfs/dbraw/zinc/06/28/66/137062866.db2.gz VTHGTZNKWQWLDM-ZPSXMKBBSA-N 1 0 277.324 0.778 10 5 CCBERO O=c1[nH]cnc2cc(NCC[NH2+]C3CC3)c([N+](=O)[O-])cc21 ZINC000054267864 348548118 /nfs/dbraw/zinc/54/81/18/348548118.db2.gz ACSMRYAPMJCWSI-UHFFFAOYSA-N 1 0 289.295 0.995 10 5 CCBERO Cc1ccnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000132974047 350321451 /nfs/dbraw/zinc/32/14/51/350321451.db2.gz XHGBLRKXAJTKFR-NXEZZACHSA-N 1 0 266.301 0.851 10 5 CCBERO CC(C)([NH3+])CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000133265969 350330179 /nfs/dbraw/zinc/33/01/79/350330179.db2.gz AHNAFNDCJOGQDF-UHFFFAOYSA-N 1 0 277.284 0.981 10 5 CCBERO Cc1cnc(NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420248219 234570556 /nfs/dbraw/zinc/57/05/56/234570556.db2.gz HXFZPGVLKTZCDU-WPRPVWTQSA-N 1 0 252.274 0.290 10 5 CCBERO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000165800388 283523776 /nfs/dbraw/zinc/52/37/76/283523776.db2.gz YYMRSDKJNIOODO-ZETCQYMHSA-N 1 0 279.256 0.295 10 5 CCBERO CN(CC(C)(C)[NH3+])c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000594692916 360361009 /nfs/dbraw/zinc/36/10/09/360361009.db2.gz FUJCXDAMGNRACI-UHFFFAOYSA-N 1 0 266.301 0.867 10 5 CCBERO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000179175318 189174918 /nfs/dbraw/zinc/17/49/18/189174918.db2.gz XUISKSFLCWZTHS-VXGBXAGGSA-N 1 0 252.270 0.522 10 5 CCBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000037889672 184542648 /nfs/dbraw/zinc/54/26/48/184542648.db2.gz MWRPGDPTHYMYLQ-KCJUWKMLSA-N 1 0 254.290 0.540 10 5 CCBERO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185137264 388788590 /nfs/dbraw/zinc/78/85/90/388788590.db2.gz ARXXJKJDTBXYHJ-NEPJUHHUSA-N 1 0 282.296 0.401 10 5 CCBERO C[NH+](C)C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1 ZINC000193415790 389069052 /nfs/dbraw/zinc/06/90/52/389069052.db2.gz ORSPZTJWFLLZGT-NSHDSACASA-N 1 0 280.328 0.944 10 5 CCBERO C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCO1 ZINC000192451644 389037300 /nfs/dbraw/zinc/03/73/00/389037300.db2.gz FQCTYHWSRIICEB-MRVPVSSYSA-N 1 0 272.330 0.818 10 5 CCBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000408027864 389820228 /nfs/dbraw/zinc/82/02/28/389820228.db2.gz PJIQSYIVIQCUOS-NEPJUHHUSA-N 1 0 278.312 0.899 10 5 CCBERO Cc1cccc(NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000420236715 389970322 /nfs/dbraw/zinc/97/03/22/389970322.db2.gz GLGNURKOCMPOTI-GXSJLCMTSA-N 1 0 251.286 0.895 10 5 CCBERO CS(=O)(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000035059198 171961672 /nfs/dbraw/zinc/96/16/72/171961672.db2.gz UDZUCEJESBXGGI-UHFFFAOYSA-N 1 0 273.314 0.759 10 5 CCBERO CN(CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])o1 ZINC000071150165 176045116 /nfs/dbraw/zinc/04/51/16/176045116.db2.gz IQYHXSNVIHUWDK-UHFFFAOYSA-N 1 0 268.317 0.525 10 5 CCBERO C[NH+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N ZINC000050638036 521789729 /nfs/dbraw/zinc/78/97/29/521789729.db2.gz JWEFUOOVMCQQMV-UHFFFAOYSA-N 1 0 288.329 0.017 10 5 CCBERO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000062540910 522349924 /nfs/dbraw/zinc/34/99/24/522349924.db2.gz VFYBMEHGAZJIRJ-VIFPVBQESA-N 1 0 271.248 0.576 10 5 CCBERO NC(=O)[C@@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540096 526955273 /nfs/dbraw/zinc/95/52/73/526955273.db2.gz XBGYECAVHNQSQA-ZETCQYMHSA-N 1 0 257.221 0.315 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c2nonc21 ZINC000157401420 527365091 /nfs/dbraw/zinc/36/50/91/527365091.db2.gz BMPOEHOQFDMGKE-ZETCQYMHSA-N 1 0 279.256 0.531 10 5 CCBERO CCOc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420254140 528326912 /nfs/dbraw/zinc/32/69/12/528326912.db2.gz RCBAABZUIGTIFB-JOYOIKCWSA-N 1 0 281.312 0.986 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000095091853 349590046 /nfs/dbraw/zinc/59/00/46/349590046.db2.gz WZPMNCJNZPZTNE-MRVPVSSYSA-N 1 0 271.298 0.516 10 5 CCBERO O=[N+]([O-])c1ccc([S@](=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091946 349589836 /nfs/dbraw/zinc/58/98/36/349589836.db2.gz GJXMIFJVUGKLLU-XLFHBGCDSA-N 1 0 255.299 0.849 10 5 CCBERO CCc1nn(C)c(N(C)CCOCC[NH2+]C)c1[N+](=O)[O-] ZINC000600954273 362099433 /nfs/dbraw/zinc/09/94/33/362099433.db2.gz VPBDAIJYVXDNLG-UHFFFAOYSA-N 1 0 285.348 0.563 10 5 CCBERO COc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262198024 137030624 /nfs/dbraw/zinc/03/06/24/137030624.db2.gz ZQWBCSSMQVASJD-PWSUYJOCSA-N 1 0 281.312 0.273 10 5 CCBERO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)ccc1Cl ZINC000263217485 137060595 /nfs/dbraw/zinc/06/05/95/137060595.db2.gz LDADWCNNPUCAIJ-BXKDBHETSA-N 1 0 285.731 0.918 10 5 CCBERO O=c1[nH]cnc2cc(N[C@H]3CC[NH2+]C3)c([N+](=O)[O-])cc21 ZINC000052093845 348504311 /nfs/dbraw/zinc/50/43/11/348504311.db2.gz RGLJVUNDFMDCNP-ZETCQYMHSA-N 1 0 275.268 0.605 10 5 CCBERO CC(=O)N[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176211018 351161253 /nfs/dbraw/zinc/16/12/53/351161253.db2.gz LOJNHNQSADVYFR-NSHDSACASA-N 1 0 281.316 0.392 10 5 CCBERO O=[N+]([O-])c1ccc2c(c1)=[N+]([O-])C1(CCCCC1)[N+]=2[O-] ZINC000225397611 352003570 /nfs/dbraw/zinc/00/35/70/352003570.db2.gz CIXCEDLDQMEMBX-UHFFFAOYSA-N 1 0 265.269 0.029 10 5 CCBERO O=[N+]([O-])c1ccccc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263281088 352592281 /nfs/dbraw/zinc/59/22/81/352592281.db2.gz UFXKGWOFATYFSZ-JQWIXIFHSA-N 1 0 251.286 0.265 10 5 CCBERO Cc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000264961053 352610994 /nfs/dbraw/zinc/61/09/94/352610994.db2.gz NKUJDIYRWJFCKX-SCZZXKLOSA-N 1 0 293.327 0.935 10 5 CCBERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262140461 352582128 /nfs/dbraw/zinc/58/21/28/352582128.db2.gz HDQZGKMFPYGOSE-KOLCDFICSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420240328 234568166 /nfs/dbraw/zinc/56/81/66/234568166.db2.gz LTIDNAXMIUGYJX-IMTBSYHQSA-N 1 0 272.692 0.635 10 5 CCBERO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423946565 235126637 /nfs/dbraw/zinc/12/66/37/235126637.db2.gz IPDPGICYOZDMPF-UWVGGRQHSA-N 1 0 279.296 0.779 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)CC1(C)C ZINC000408055523 357892411 /nfs/dbraw/zinc/89/24/11/357892411.db2.gz VJTRFCPMHDWFBM-UHFFFAOYSA-N 1 0 267.333 0.854 10 5 CCBERO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]CCOC1 ZINC000591593292 359604676 /nfs/dbraw/zinc/60/46/76/359604676.db2.gz GYCCWOHSTAQNQG-NSHDSACASA-N 1 0 279.296 0.447 10 5 CCBERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592298762 359813714 /nfs/dbraw/zinc/81/37/14/359813714.db2.gz PWYITMIEOMFUKP-XCBNKYQSSA-N 1 0 280.284 0.553 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC000095091857 285167430 /nfs/dbraw/zinc/16/74/30/285167430.db2.gz HNTAPQBZWHHPGJ-QMMMGPOBSA-N 1 0 271.298 0.373 10 5 CCBERO CNC(=O)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000183636201 388759712 /nfs/dbraw/zinc/75/97/12/388759712.db2.gz AVHRHLLWSDEJPU-SNVBAGLBSA-N 1 0 269.305 0.152 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040633848 388854363 /nfs/dbraw/zinc/85/43/63/388854363.db2.gz HLIZZFZPMKSCMT-VXGBXAGGSA-N 1 0 279.296 0.588 10 5 CCBERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ncc1[N+](=O)[O-] ZINC000301660531 389056147 /nfs/dbraw/zinc/05/61/47/389056147.db2.gz MMTKTNRGRMWIAC-NEPJUHHUSA-N 1 0 278.312 0.817 10 5 CCBERO O=[N+]([O-])c1c(NC[C@@H]2C[NH2+]C[C@@H]2O)nc2sccn21 ZINC000420241235 389971257 /nfs/dbraw/zinc/97/12/57/389971257.db2.gz ANXIYGDBBYDBCU-BQBZGAKWSA-N 1 0 283.313 0.296 10 5 CCBERO Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420241344 389971415 /nfs/dbraw/zinc/97/14/15/389971415.db2.gz AVLLTBKMGRSPJY-BXKDBHETSA-N 1 0 251.286 0.895 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420244430 389971879 /nfs/dbraw/zinc/97/18/79/389971879.db2.gz PZVKCDMTYKBWDS-ONGXEEELSA-N 1 0 251.286 0.895 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000420258076 389974229 /nfs/dbraw/zinc/97/42/29/389974229.db2.gz XDBFPXABOIQIBU-HZGVNTEJSA-N 1 0 272.692 0.635 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)C[C@H]1CC[NH2+]C1 ZINC000095091894 184941459 /nfs/dbraw/zinc/94/14/59/184941459.db2.gz HMGIXFIINKKDTL-WNWIJWBNSA-N 1 0 255.299 0.707 10 5 CCBERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000031946541 134761730 /nfs/dbraw/zinc/76/17/30/134761730.db2.gz YSRNMPQEWQHAFI-JTQLQIEISA-N 1 0 293.327 0.281 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369333557 144264722 /nfs/dbraw/zinc/26/47/22/144264722.db2.gz DCEAMGKHPACZAT-SFYZADRCSA-N 1 0 283.309 0.469 10 5 CCBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000285284131 196240041 /nfs/dbraw/zinc/24/00/41/196240041.db2.gz FVKVZJFWHXPFES-MRVPVSSYSA-N 1 0 265.273 0.238 10 5 CCBERO CCNC(=O)COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516604 521738339 /nfs/dbraw/zinc/73/83/39/521738339.db2.gz JXWKXXPMMIKVDB-UHFFFAOYSA-N 1 0 253.258 0.568 10 5 CCBERO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262243745 536165450 /nfs/dbraw/zinc/16/54/50/536165450.db2.gz LCKWAPMVTWMVCR-AAEUAGOBSA-N 1 0 293.323 0.467 10 5 CCBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CC(O)C2)cc1 ZINC000134757894 624555707 /nfs/dbraw/zinc/55/57/07/624555707.db2.gz GKMXZHUJVWEQPZ-UTVJUBTNSA-N 1 0 266.297 0.989 10 5 CCBERO C[C@@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000111302582 349769959 /nfs/dbraw/zinc/76/99/59/349769959.db2.gz OCFGJONILIHCQV-ZCFIWIBFSA-N 1 0 274.302 0.001 10 5 CCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000174876837 351108911 /nfs/dbraw/zinc/10/89/11/351108911.db2.gz JTBZNVMOJIBCSY-GFCCVEGCSA-N 1 0 295.343 0.198 10 5 CCBERO Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1[N+](=O)[O-] ZINC000311776780 354203421 /nfs/dbraw/zinc/20/34/21/354203421.db2.gz HIDGOBWDRFPUNT-SECBINFHSA-N 1 0 263.301 0.856 10 5 CCBERO C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423946566 235126742 /nfs/dbraw/zinc/12/67/42/235126742.db2.gz IPDPGICYOZDMPF-VHSXEESVSA-N 1 0 279.296 0.779 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407956755 357837639 /nfs/dbraw/zinc/83/76/39/357837639.db2.gz LGLVMIGLBDNYLV-RKDXNWHRSA-N 1 0 279.300 0.039 10 5 CCBERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592332229 359819238 /nfs/dbraw/zinc/81/92/38/359819238.db2.gz HJRWAYISOKMZMV-XCBNKYQSSA-N 1 0 280.284 0.566 10 5 CCBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185170329 388790222 /nfs/dbraw/zinc/79/02/22/388790222.db2.gz CCNXQMJAQNTGAF-OLZOCXBDSA-N 1 0 296.323 0.791 10 5 CCBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000320655014 389122436 /nfs/dbraw/zinc/12/24/36/389122436.db2.gz HDUBMMGJXWWHOU-RNFRBKRXSA-N 1 0 267.289 0.626 10 5 CCBERO COc1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000420245303 389972393 /nfs/dbraw/zinc/97/23/93/389972393.db2.gz RAHOERCHNMJFIA-QPUJVOFHSA-N 1 0 267.285 0.596 10 5 CCBERO COc1cc(NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420252813 389973823 /nfs/dbraw/zinc/97/38/23/389973823.db2.gz OQGNTSOMMGSIJO-LDYMZIIASA-N 1 0 267.285 0.596 10 5 CCBERO CN(C)c1ncnc(N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040608613 174353430 /nfs/dbraw/zinc/35/34/30/174353430.db2.gz CYVUXEALMSTAOR-UHFFFAOYSA-N 1 0 294.359 0.981 10 5 CCBERO CN(CCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000071151226 176044914 /nfs/dbraw/zinc/04/49/14/176044914.db2.gz AGIOCYKSELNGAF-UHFFFAOYSA-N 1 0 264.329 0.936 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(CC[NH3+])n1 ZINC000072237773 176346390 /nfs/dbraw/zinc/34/63/90/176346390.db2.gz ARWOQXCXEHOVGT-UHFFFAOYSA-N 1 0 263.257 0.890 10 5 CCBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000408027870 277121380 /nfs/dbraw/zinc/12/13/80/277121380.db2.gz PJIQSYIVIQCUOS-VXGBXAGGSA-N 1 0 278.312 0.899 10 5 CCBERO O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000577841478 335409612 /nfs/dbraw/zinc/40/96/12/335409612.db2.gz QLXAHLCBKLHXDG-DTWKUNHWSA-N 1 0 283.309 0.469 10 5 CCBERO [NH3+]C/C=C/CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131211157 647499684 /nfs/dbraw/zinc/49/96/84/647499684.db2.gz GWOLGDMXAXKSSP-OWOJBTEDSA-N 1 0 271.298 0.388 10 5 CCBERO O=[N+]([O-])c1cccnc1[S@@](=O)C[C@@H]1CCC[NH2+]1 ZINC000095091884 349589878 /nfs/dbraw/zinc/58/98/78/349589878.db2.gz QMHURKRUCVCCCZ-WNWIJWBNSA-N 1 0 255.299 0.849 10 5 CCBERO CC[C@H]([NH3+])CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000111304647 349771329 /nfs/dbraw/zinc/77/13/29/349771329.db2.gz DSNYKWKDIZJRMC-ZETCQYMHSA-N 1 0 277.284 0.981 10 5 CCBERO C[NH2+]CCOCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000600950611 362097778 /nfs/dbraw/zinc/09/77/78/362097778.db2.gz AJXWASKEETXVCM-UHFFFAOYSA-N 1 0 285.329 0.952 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCOCC[NH2+]C ZINC000600954101 362099049 /nfs/dbraw/zinc/09/90/49/362099049.db2.gz NZCGNKDDWBBVDJ-UHFFFAOYSA-N 1 0 285.348 0.792 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262412032 137042560 /nfs/dbraw/zinc/04/25/60/137042560.db2.gz ZHXUFHRDMDYUCF-BXKDBHETSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263237899 137061197 /nfs/dbraw/zinc/06/11/97/137061197.db2.gz OHDSYWQBHHPEBV-JOYOIKCWSA-N 1 0 285.731 0.918 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000029587333 348113084 /nfs/dbraw/zinc/11/30/84/348113084.db2.gz AXSZATNCOULXQS-SECBINFHSA-N 1 0 251.290 0.613 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038096571 348227185 /nfs/dbraw/zinc/22/71/85/348227185.db2.gz DKWXZPXETKEZEP-VXGBXAGGSA-N 1 0 284.316 0.311 10 5 CCBERO C[NH2+]CCCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166697252 350800668 /nfs/dbraw/zinc/80/06/68/350800668.db2.gz DNGOHEVIMNQNBJ-UHFFFAOYSA-N 1 0 268.273 0.798 10 5 CCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000174876824 351109089 /nfs/dbraw/zinc/10/90/89/351109089.db2.gz JTBZNVMOJIBCSY-LBPRGKRZSA-N 1 0 295.343 0.198 10 5 CCBERO O=[N+]([O-])c1ccn(CCN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000177760634 351212595 /nfs/dbraw/zinc/21/25/95/351212595.db2.gz ZCQDJCRJWRLFLX-GFCCVEGCSA-N 1 0 279.344 0.961 10 5 CCBERO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262059495 352574365 /nfs/dbraw/zinc/57/43/65/352574365.db2.gz ATLWZVBOZTZOPJ-WCQYABFASA-N 1 0 293.323 0.224 10 5 CCBERO COc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1[N+](=O)[O-] ZINC000312179781 354206830 /nfs/dbraw/zinc/20/68/30/354206830.db2.gz UMQJYAWFYHUWAF-RKDXNWHRSA-N 1 0 281.268 0.265 10 5 CCBERO CCO[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1C[NH3+] ZINC000405609951 357827194 /nfs/dbraw/zinc/82/71/94/357827194.db2.gz RXSBVYNGVMJXRB-RKDXNWHRSA-N 1 0 269.305 0.128 10 5 CCBERO Cc1nn(C)c(C(=O)N2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000408130902 357930392 /nfs/dbraw/zinc/93/03/92/357930392.db2.gz XCVPAPVYBLGSAH-UHFFFAOYSA-N 1 0 290.283 0.489 10 5 CCBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592336770 359820853 /nfs/dbraw/zinc/82/08/53/359820853.db2.gz KKEBZZJIRDSCOI-IMTBSYHQSA-N 1 0 266.257 0.257 10 5 CCBERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000420241350 389971261 /nfs/dbraw/zinc/97/12/61/389971261.db2.gz AVLLTBKMGRSPJY-JOYOIKCWSA-N 1 0 251.286 0.895 10 5 CCBERO CCn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397057 176150727 /nfs/dbraw/zinc/15/07/27/176150727.db2.gz OSNXRCAIHLRYAH-VIFPVBQESA-N 1 0 266.301 0.898 10 5 CCBERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000408063411 277179961 /nfs/dbraw/zinc/17/99/61/277179961.db2.gz RBJIMKKZHBPMPF-VXGBXAGGSA-N 1 0 294.311 0.468 10 5 CCBERO Cc1cnc(N2CCCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000313378230 292905581 /nfs/dbraw/zinc/90/55/81/292905581.db2.gz ZOGFDGBIRXTBAE-JTQLQIEISA-N 1 0 266.301 0.852 10 5 CCBERO C[NH2+]CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000049630260 522014031 /nfs/dbraw/zinc/01/40/31/522014031.db2.gz XZQSFAIGVXVJLO-UHFFFAOYSA-N 1 0 273.314 0.234 10 5 CCBERO CC[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117324946 615916934 /nfs/dbraw/zinc/91/69/34/615916934.db2.gz VAIWWRKHNSRERW-LBPRGKRZSA-N 1 0 297.359 0.791 10 5 CCBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116786519 349872069 /nfs/dbraw/zinc/87/20/69/349872069.db2.gz NNFUKJQAQVTHDW-ZDUSSCGKSA-N 1 0 293.323 0.997 10 5 CCBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1 ZINC000262379758 137041076 /nfs/dbraw/zinc/04/10/76/137041076.db2.gz WYVPZQXNUHAKTK-CMPLNLGQSA-N 1 0 279.296 0.213 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262220424 137031723 /nfs/dbraw/zinc/03/17/23/137031723.db2.gz JMLCTQQFMYQQQS-CPCISQLKSA-N 1 0 299.714 0.558 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262337575 137038779 /nfs/dbraw/zinc/03/87/79/137038779.db2.gz SUIPGGBVBYQGGB-CPCISQLKSA-N 1 0 299.714 0.558 10 5 CCBERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000062984723 348674266 /nfs/dbraw/zinc/67/42/66/348674266.db2.gz KMKWTHSEGCLELN-JTQLQIEISA-N 1 0 278.312 0.953 10 5 CCBERO CN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122798776 350070041 /nfs/dbraw/zinc/07/00/41/350070041.db2.gz OUKCQBXSTVBMAP-SNVBAGLBSA-N 1 0 268.292 0.813 10 5 CCBERO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091489709 180169040 /nfs/dbraw/zinc/16/90/40/180169040.db2.gz KYXLAFCRJHLXCL-UHFFFAOYSA-N 1 0 293.323 0.896 10 5 CCBERO CN1CCN(c2cccc([N+](=O)[O-])c2C[NH3+])CC1 ZINC000215646287 351936982 /nfs/dbraw/zinc/93/69/82/351936982.db2.gz BZIGSWSBZQIGGC-UHFFFAOYSA-N 1 0 250.302 0.805 10 5 CCBERO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404233003 357819084 /nfs/dbraw/zinc/81/90/84/357819084.db2.gz RQUYBKKYUPXMSG-UWVGGRQHSA-N 1 0 297.336 0.859 10 5 CCBERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000610897249 363628570 /nfs/dbraw/zinc/62/85/70/363628570.db2.gz ADVQNAICDFYXLT-SECBINFHSA-N 1 0 265.269 0.582 10 5 CCBERO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592335260 359820659 /nfs/dbraw/zinc/82/06/59/359820659.db2.gz QWEXUEJKUYDHNS-ZCFIWIBFSA-N 1 0 254.246 0.033 10 5 CCBERO CN1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596096288 360792794 /nfs/dbraw/zinc/79/27/94/360792794.db2.gz DRQIKWJUJQYVAP-QMMMGPOBSA-N 1 0 268.273 0.438 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)c(F)c1 ZINC000599012755 361556026 /nfs/dbraw/zinc/55/60/26/361556026.db2.gz VUZXGUGGHVFEBO-NWDGAFQWSA-N 1 0 270.260 0.973 10 5 CCBERO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c2nonc21 ZINC000035663883 285122862 /nfs/dbraw/zinc/12/28/62/285122862.db2.gz SWXLLZJKHWJBKW-UHFFFAOYSA-N 1 0 263.257 0.931 10 5 CCBERO O=[N+]([O-])c1ccc2[nH]c([S@@](=O)[C@@H]3CC[NH2+]C3)nc2c1 ZINC000095092106 285141433 /nfs/dbraw/zinc/14/14/33/285141433.db2.gz WIMCBOWXHVIUDZ-LILOVNGRSA-N 1 0 280.309 0.941 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000095091848 285167382 /nfs/dbraw/zinc/16/73/82/285167382.db2.gz GTQXFZVNMGEDKF-QMMMGPOBSA-N 1 0 271.298 0.516 10 5 CCBERO CNC(=O)c1ccc(N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000213370214 389132053 /nfs/dbraw/zinc/13/20/53/389132053.db2.gz JSWHFVUBTZUQEE-UHFFFAOYSA-N 1 0 266.301 0.739 10 5 CCBERO CC(C)[C@@H]([NH3+])CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000156795620 389328081 /nfs/dbraw/zinc/32/80/81/389328081.db2.gz POTZPVKAWLSDBX-NSHDSACASA-N 1 0 295.343 0.898 10 5 CCBERO COCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000174849318 389531280 /nfs/dbraw/zinc/53/12/80/389531280.db2.gz OMDLYRJSDYCNCC-GFCCVEGCSA-N 1 0 297.359 0.444 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000420250164 389972909 /nfs/dbraw/zinc/97/29/09/389972909.db2.gz JUCNSXSOGDFUQF-SKDRFNHKSA-N 1 0 251.286 0.895 10 5 CCBERO CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC ZINC000035414697 172188502 /nfs/dbraw/zinc/18/85/02/172188502.db2.gz JBCASFVCTQVOJZ-UHFFFAOYSA-N 1 0 267.285 0.829 10 5 CCBERO O=[N+]([O-])c1cc(NC2=[NH+]CCN2)cc([N+](=O)[O-])c1 ZINC000675072924 545321042 /nfs/dbraw/zinc/32/10/42/545321042.db2.gz PMMICDAPXLOWFU-UHFFFAOYSA-N 1 0 251.202 0.874 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000157406657 636938478 /nfs/dbraw/zinc/93/84/78/636938478.db2.gz LXZVGDHEXABINX-VIFPVBQESA-N 1 0 282.256 0.903 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000153231859 637688772 /nfs/dbraw/zinc/68/87/72/637688772.db2.gz QEVPSGJUBLYKGN-WDEREUQCSA-N 1 0 265.317 0.917 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095091921 349589803 /nfs/dbraw/zinc/58/98/03/349589803.db2.gz FZMGFONAIUEMRB-QMMMGPOBSA-N 1 0 271.298 0.516 10 5 CCBERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000262240497 137032563 /nfs/dbraw/zinc/03/25/63/137032563.db2.gz KYGVUWCIGSLYJD-CABZTGNLSA-N 1 0 279.296 0.213 10 5 CCBERO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783412 348514651 /nfs/dbraw/zinc/51/46/51/348514651.db2.gz RIZQPQZMKHGOMU-MRVPVSSYSA-N 1 0 289.295 0.629 10 5 CCBERO Cc1cnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132922248 350319441 /nfs/dbraw/zinc/31/94/41/350319441.db2.gz XVNMNHOJOMLDAX-MWLCHTKSSA-N 1 0 266.301 0.851 10 5 CCBERO C[C@@H]([NH3+])[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCO1 ZINC000156564166 350631448 /nfs/dbraw/zinc/63/14/48/350631448.db2.gz HUINUMMHQIQXBE-SFYZADRCSA-N 1 0 297.340 0.856 10 5 CCBERO Cc1ccnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000228375892 352074412 /nfs/dbraw/zinc/07/44/12/352074412.db2.gz XHGBLRKXAJTKFR-VHSXEESVSA-N 1 0 266.301 0.851 10 5 CCBERO C[C@H](O)C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000246184331 352352433 /nfs/dbraw/zinc/35/24/33/352352433.db2.gz KSSTXGAEVMDTML-RYUDHWBXSA-N 1 0 297.359 0.178 10 5 CCBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000310822613 354192650 /nfs/dbraw/zinc/19/26/50/354192650.db2.gz XJEUPSMBQLJGBL-VXNVDRBHSA-N 1 0 252.274 0.495 10 5 CCBERO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000311804508 354204501 /nfs/dbraw/zinc/20/45/01/354204501.db2.gz KYCBJZGAACVXEA-WPRPVWTQSA-N 1 0 265.317 0.958 10 5 CCBERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000324484106 354230709 /nfs/dbraw/zinc/23/07/09/354230709.db2.gz JRVZDOBXYXNZCQ-MNOVXSKESA-N 1 0 286.332 0.149 10 5 CCBERO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(F)(F)F ZINC000401758788 357805030 /nfs/dbraw/zinc/80/50/30/357805030.db2.gz ASULYYDJPLUUDL-ZCFIWIBFSA-N 1 0 266.179 0.542 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404073799 357815170 /nfs/dbraw/zinc/81/51/70/357815170.db2.gz MNVHBFIULZMLIQ-UWVGGRQHSA-N 1 0 280.284 0.126 10 5 CCBERO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000592549108 359882853 /nfs/dbraw/zinc/88/28/53/359882853.db2.gz RXWLZORTKDXAMK-MWLCHTKSSA-N 1 0 279.296 0.213 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000095091862 285167401 /nfs/dbraw/zinc/16/74/01/285167401.db2.gz AWQQTUWJYGKUCA-UHFFFAOYSA-N 1 0 286.313 0.020 10 5 CCBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC(O)C1 ZINC000190215757 130075282 /nfs/dbraw/zinc/07/52/82/130075282.db2.gz VTBAYQLCWABYCG-UHFFFAOYSA-N 1 0 254.290 0.494 10 5 CCBERO Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262140467 143940948 /nfs/dbraw/zinc/94/09/48/143940948.db2.gz HDQZGKMFPYGOSE-ONGXEEELSA-N 1 0 279.296 0.213 10 5 CCBERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000284815299 196137412 /nfs/dbraw/zinc/13/74/12/196137412.db2.gz LGNGWAPZKXRVBF-ZDUSSCGKSA-N 1 0 279.296 0.407 10 5 CCBERO C[C@@H](COc1ccc([N+](=O)[O-])cc1C[NH3+])C(N)=O ZINC000035414506 172188677 /nfs/dbraw/zinc/18/86/77/172188677.db2.gz VHZOJHLMUFQNKA-ZETCQYMHSA-N 1 0 253.258 0.554 10 5 CCBERO CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414522 172188746 /nfs/dbraw/zinc/18/87/46/172188746.db2.gz YLWMBXGXZVIWRK-SSDOTTSWSA-N 1 0 253.258 0.567 10 5 CCBERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1O[C@H](C)C(N)=O ZINC000035414620 172188798 /nfs/dbraw/zinc/18/87/98/172188798.db2.gz GTINMOBVGWEITH-SSDOTTSWSA-N 1 0 253.258 0.567 10 5 CCBERO O=C(CNc1c(F)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000312301773 327527605 /nfs/dbraw/zinc/52/76/05/327527605.db2.gz XBERVFHKEPOVFM-UHFFFAOYSA-N 1 0 282.275 0.578 10 5 CCBERO CNC(=O)c1ccc(N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000382972546 336100502 /nfs/dbraw/zinc/10/05/02/336100502.db2.gz FWLYKNSXCJSXGG-QMMMGPOBSA-N 1 0 266.301 0.738 10 5 CCBERO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000062540913 522463388 /nfs/dbraw/zinc/46/33/88/522463388.db2.gz VFYBMEHGAZJIRJ-SECBINFHSA-N 1 0 271.248 0.576 10 5 CCBERO COCC[N@H+](C)CCNc1cc([N+](=O)[O-])ccn1 ZINC000061379540 523613780 /nfs/dbraw/zinc/61/37/80/523613780.db2.gz AEAIRKXMDJXCPR-UHFFFAOYSA-N 1 0 254.290 0.980 10 5 CCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000083309121 178380408 /nfs/dbraw/zinc/38/04/08/178380408.db2.gz SRIHXDAAEAPHMQ-QMMMGPOBSA-N 1 0 256.283 0.730 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095091917 349589797 /nfs/dbraw/zinc/58/97/97/349589797.db2.gz MMRDIOGIWSGVTR-VIFPVBQESA-N 1 0 271.298 0.516 10 5 CCBERO CCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262243748 137032695 /nfs/dbraw/zinc/03/26/95/137032695.db2.gz LCKWAPMVTWMVCR-DGCLKSJQSA-N 1 0 293.323 0.467 10 5 CCBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262252130 137033095 /nfs/dbraw/zinc/03/30/95/137033095.db2.gz LQWWHWFMEXLNFP-CMPLNLGQSA-N 1 0 279.296 0.213 10 5 CCBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263193647 137059885 /nfs/dbraw/zinc/05/98/85/137059885.db2.gz IEZVEGHNDIAYKA-AAEUAGOBSA-N 1 0 295.339 0.663 10 5 CCBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCO1 ZINC000037890025 348216216 /nfs/dbraw/zinc/21/62/16/348216216.db2.gz SRWBKRNOCBGOFC-ZMLRMANQSA-N 1 0 284.316 0.309 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040676224 348240948 /nfs/dbraw/zinc/24/09/48/348240948.db2.gz OMZJSQJJIFOLCK-CHWSQXEVSA-N 1 0 293.323 0.630 10 5 CCBERO Cc1cnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000132922028 350319455 /nfs/dbraw/zinc/31/94/55/350319455.db2.gz XVNMNHOJOMLDAX-KOLCDFICSA-N 1 0 266.301 0.851 10 5 CCBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000105807815 186072642 /nfs/dbraw/zinc/07/26/42/186072642.db2.gz NEQKTGHAKMOAIY-SNVBAGLBSA-N 1 0 295.343 0.851 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000176244197 351164133 /nfs/dbraw/zinc/16/41/33/351164133.db2.gz CDYCICZZBPHRRW-VXGBXAGGSA-N 1 0 279.344 0.960 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000250823519 352508231 /nfs/dbraw/zinc/50/82/31/352508231.db2.gz ZLWMNPQKBCSZOZ-RAIGVLPGSA-N 1 0 298.343 0.293 10 5 CCBERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262057325 352573968 /nfs/dbraw/zinc/57/39/68/352573968.db2.gz AOHPAYNPVQAHAY-ZYHUDNBSSA-N 1 0 279.296 0.213 10 5 CCBERO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000401766539 357806184 /nfs/dbraw/zinc/80/61/84/357806184.db2.gz GRBBYTLUTGMXAQ-RXMQYKEDSA-N 1 0 266.179 0.542 10 5 CCBERO C[C@H](C[NH3+])CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591431603 359591473 /nfs/dbraw/zinc/59/14/73/359591473.db2.gz IJDZYIASSUOYTO-MRVPVSSYSA-N 1 0 261.285 0.967 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)c(F)c1 ZINC000599012756 361554949 /nfs/dbraw/zinc/55/49/49/361554949.db2.gz VUZXGUGGHVFEBO-RYUDHWBXSA-N 1 0 270.260 0.973 10 5 CCBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000394560915 261643833 /nfs/dbraw/zinc/64/38/33/261643833.db2.gz KTNHHBRDLJXMRC-RNFRBKRXSA-N 1 0 288.329 0.390 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])C[C@H]21 ZINC000302065207 389063292 /nfs/dbraw/zinc/06/32/92/389063292.db2.gz UFEWLKPRWMGLFC-KGLIPLIRSA-N 1 0 293.323 0.606 10 5 CCBERO COc1cccc(NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420249145 389973022 /nfs/dbraw/zinc/97/30/22/389973022.db2.gz ISRPPZDACUJCEL-WPRPVWTQSA-N 1 0 267.285 0.596 10 5 CCBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]C[C@H]2O)c(Cl)c1 ZINC000420258077 389974503 /nfs/dbraw/zinc/97/45/03/389974503.db2.gz XDBFPXABOIQIBU-IMTBSYHQSA-N 1 0 272.692 0.635 10 5 CCBERO CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000034978613 171911441 /nfs/dbraw/zinc/91/14/41/171911441.db2.gz SDIRBYJIWWIJKA-JTQLQIEISA-N 1 0 255.274 0.117 10 5 CCBERO Cc1nn(C[C@H](O)C[NH2+]C2CC2)c(C)c1[N+](=O)[O-] ZINC000036950884 172824703 /nfs/dbraw/zinc/82/47/03/172824703.db2.gz PLQVZBYIABKMFK-SNVBAGLBSA-N 1 0 254.290 0.521 10 5 CCBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000408071022 288100103 /nfs/dbraw/zinc/10/01/03/288100103.db2.gz OSGNVSZCJUWCET-VHSXEESVSA-N 1 0 267.333 0.853 10 5 CCBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000381695246 336071181 /nfs/dbraw/zinc/07/11/81/336071181.db2.gz GCRAWLYGHHIDHW-RNFRBKRXSA-N 1 0 252.274 0.841 10 5 CCBERO C[NH2+][C@@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(N)=O ZINC000062539873 522347306 /nfs/dbraw/zinc/34/73/06/522347306.db2.gz CHOIYTLJQFNWML-VIFPVBQESA-N 1 0 267.285 0.745 10 5 CCBERO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000600951473 362098568 /nfs/dbraw/zinc/09/85/68/362098568.db2.gz JTXPJTCASNLHOH-UHFFFAOYSA-N 1 0 254.290 0.368 10 5 CCBERO Cc1nn(C)c(N2C[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600962139 362102357 /nfs/dbraw/zinc/10/23/57/362102357.db2.gz ZAJDSKUOSOSCEA-CBAPKCEASA-N 1 0 253.306 0.668 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263267123 137062105 /nfs/dbraw/zinc/06/21/05/137062105.db2.gz RREZDIKFPWDCQS-JQWIXIFHSA-N 1 0 251.286 0.265 10 5 CCBERO NS(=O)(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000036926760 348174743 /nfs/dbraw/zinc/17/47/43/348174743.db2.gz VSICZXOROIKNJV-UHFFFAOYSA-N 1 0 274.302 0.003 10 5 CCBERO C[C@@H]([NH3+])CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000063171735 348680628 /nfs/dbraw/zinc/68/06/28/348680628.db2.gz LOKAKPPOKPRNPR-SSDOTTSWSA-N 1 0 277.284 0.981 10 5 CCBERO COCC[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000176232565 351163193 /nfs/dbraw/zinc/16/31/93/351163193.db2.gz LTHMWUQHNMDNGD-GFCCVEGCSA-N 1 0 297.359 0.444 10 5 CCBERO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193476577 351829696 /nfs/dbraw/zinc/82/96/96/351829696.db2.gz AVHUOLKCSCQFAB-SNVBAGLBSA-N 1 0 292.295 0.616 10 5 CCBERO C[N@H+]1C[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000193608191 351835137 /nfs/dbraw/zinc/83/51/37/351835137.db2.gz PATYPYPUMVUDAI-PHIMTYICSA-N 1 0 265.317 0.285 10 5 CCBERO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263281089 352592507 /nfs/dbraw/zinc/59/25/07/352592507.db2.gz UFXKGWOFATYFSZ-PWSUYJOCSA-N 1 0 251.286 0.265 10 5 CCBERO CC(C)[N@H+]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000153887290 188109711 /nfs/dbraw/zinc/10/97/11/188109711.db2.gz XRTJPDKMZLXTIK-IUCAKERBSA-N 1 0 281.316 0.776 10 5 CCBERO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]CCOC1 ZINC000591594397 359604355 /nfs/dbraw/zinc/60/43/55/359604355.db2.gz WNMISWGRKKZFTL-NSHDSACASA-N 1 0 279.296 0.447 10 5 CCBERO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)cn1 ZINC000036301771 172595736 /nfs/dbraw/zinc/59/57/36/172595736.db2.gz WSTUDLNMSHSVNC-UHFFFAOYSA-N 1 0 265.317 0.697 10 5 CCBERO CN(c1ccc([N+](=O)[O-])c2nonc21)[C@@H]1CC[NH2+]C1 ZINC000071311715 176118959 /nfs/dbraw/zinc/11/89/59/176118959.db2.gz LHQNQHRCIJQZLD-SSDOTTSWSA-N 1 0 263.257 0.929 10 5 CCBERO O=[N+]([O-])c1cnc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000179304734 275041675 /nfs/dbraw/zinc/04/16/75/275041675.db2.gz GJUXVICTZLWOQF-SNVBAGLBSA-N 1 0 288.311 0.922 10 5 CCBERO CC(C)(C[NH3+])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063020531 519233429 /nfs/dbraw/zinc/23/34/29/519233429.db2.gz KRVQWXVIHNTXDS-UHFFFAOYSA-N 1 0 287.341 0.752 10 5 CCBERO NC(=O)[C@H]([NH3+])CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000062595793 526993796 /nfs/dbraw/zinc/99/37/96/526993796.db2.gz FXNGRZZDHLTCST-SSDOTTSWSA-N 1 0 273.676 0.830 10 5 CCBERO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000369748270 536011952 /nfs/dbraw/zinc/01/19/52/536011952.db2.gz DQWWASYSHZYFOA-JTQLQIEISA-N 1 0 281.316 0.392 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132966544 647571899 /nfs/dbraw/zinc/57/18/99/647571899.db2.gz WIPQTXAKAHFPRF-MWLCHTKSSA-N 1 0 266.301 0.851 10 5 CCBERO Cc1ccnc(N(C)CCOCC[NH3+])c1[N+](=O)[O-] ZINC000600955966 362100560 /nfs/dbraw/zinc/10/05/60/362100560.db2.gz LATULGYVRGVKSY-UHFFFAOYSA-N 1 0 254.290 0.710 10 5 CCBERO CCc1nn(C)c(N(C)CCOCC[NH3+])c1[N+](=O)[O-] ZINC000600956722 362100781 /nfs/dbraw/zinc/10/07/81/362100781.db2.gz YJUYMLKPKIMDAI-UHFFFAOYSA-N 1 0 271.321 0.302 10 5 CCBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1 ZINC000262379759 137041117 /nfs/dbraw/zinc/04/11/17/137041117.db2.gz WYVPZQXNUHAKTK-JQWIXIFHSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262397193 137042120 /nfs/dbraw/zinc/04/21/20/137042120.db2.gz YKBHNGOLZVTMGS-JOYOIKCWSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000262174864 137029943 /nfs/dbraw/zinc/02/99/43/137029943.db2.gz YSXPIUAIGYCBSC-SECBINFHSA-N 1 0 295.343 0.836 10 5 CCBERO Cc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cccc1[N+](=O)[O-] ZINC000262240493 137032497 /nfs/dbraw/zinc/03/24/97/137032497.db2.gz KYGVUWCIGSLYJD-BXKDBHETSA-N 1 0 279.296 0.213 10 5 CCBERO C[C@@H](CC[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000311599409 137075172 /nfs/dbraw/zinc/07/51/72/137075172.db2.gz SQAHSDDJPVMPDQ-ZETCQYMHSA-N 1 0 288.329 0.391 10 5 CCBERO C[C@H]([NH3+])CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000063171734 348680361 /nfs/dbraw/zinc/68/03/61/348680361.db2.gz LOKAKPPOKPRNPR-ZETCQYMHSA-N 1 0 277.284 0.981 10 5 CCBERO [NH3+]CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000074319847 348985030 /nfs/dbraw/zinc/98/50/30/348985030.db2.gz TZFBDJRWPZNULY-UHFFFAOYSA-N 1 0 254.202 0.192 10 5 CCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089091309 349375027 /nfs/dbraw/zinc/37/50/27/349375027.db2.gz SHMYPJSYKXCVDH-WCBMZHEXSA-N 1 0 266.301 0.791 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133002906 350321859 /nfs/dbraw/zinc/32/18/59/350321859.db2.gz ZSSOSWPGRBOJSU-MWLCHTKSSA-N 1 0 266.301 0.851 10 5 CCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195063114 351895367 /nfs/dbraw/zinc/89/53/67/351895367.db2.gz GTTCFQUQHSUZNA-NSHDSACASA-N 1 0 293.327 0.488 10 5 CCBERO CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000227163133 352039484 /nfs/dbraw/zinc/03/94/84/352039484.db2.gz QLDRXHPKEMLSMW-VIFPVBQESA-N 1 0 285.735 0.722 10 5 CCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000245412083 352321829 /nfs/dbraw/zinc/32/18/29/352321829.db2.gz ZVQXJLBEVUQECW-NEPJUHHUSA-N 1 0 279.344 0.960 10 5 CCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000250751676 352507709 /nfs/dbraw/zinc/50/77/09/352507709.db2.gz DGTGBWARDHJEHJ-GRYCIOLGSA-N 1 0 284.316 0.045 10 5 CCBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000423635834 235024378 /nfs/dbraw/zinc/02/43/78/235024378.db2.gz FQQFBJFRPVEVMU-BXKDBHETSA-N 1 0 279.296 0.922 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374611490 357400695 /nfs/dbraw/zinc/40/06/95/357400695.db2.gz NJAMRYUMFLUTLL-NEPJUHHUSA-N 1 0 277.280 0.408 10 5 CCBERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000381670763 357710611 /nfs/dbraw/zinc/71/06/11/357710611.db2.gz BXELWGVIRBDLBP-PHDIDXHHSA-N 1 0 253.262 0.236 10 5 CCBERO CCO[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000405557536 357826967 /nfs/dbraw/zinc/82/69/67/357826967.db2.gz BQCSRDCJALHBES-MWLCHTKSSA-N 1 0 266.301 0.790 10 5 CCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408050528 357889529 /nfs/dbraw/zinc/88/95/29/357889529.db2.gz DRSIOPSXIDZIDA-QMMMGPOBSA-N 1 0 267.289 0.104 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c(F)c1 ZINC000599012754 361555449 /nfs/dbraw/zinc/55/54/49/361555449.db2.gz VUZXGUGGHVFEBO-NEPJUHHUSA-N 1 0 270.260 0.973 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000420252812 533035859 /nfs/dbraw/zinc/03/58/59/533035859.db2.gz OQGNTSOMMGSIJO-KWQFWETISA-N 1 0 267.285 0.596 10 5 CCBERO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000395723367 285228182 /nfs/dbraw/zinc/22/81/82/285228182.db2.gz CYVVUYRKGKMRSF-SSDOTTSWSA-N 1 0 267.289 0.499 10 5 CCBERO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420240331 389971169 /nfs/dbraw/zinc/97/11/69/389971169.db2.gz LTIDNAXMIUGYJX-MUWHJKNJSA-N 1 0 272.692 0.635 10 5 CCBERO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000420245739 389972345 /nfs/dbraw/zinc/97/23/45/389972345.db2.gz RELZGSLLHDOMGK-SVRRBLITSA-N 1 0 295.324 0.592 10 5 CCBERO CNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414521 172188303 /nfs/dbraw/zinc/18/83/03/172188303.db2.gz YLWMBXGXZVIWRK-ZETCQYMHSA-N 1 0 253.258 0.567 10 5 CCBERO [NH3+][C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036263930 172557380 /nfs/dbraw/zinc/55/73/80/172557380.db2.gz QESFQZMUFXKKGK-RNFRBKRXSA-N 1 0 291.716 0.626 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285127709 303020848 /nfs/dbraw/zinc/02/08/48/303020848.db2.gz RYVMJYDPHKKZHY-ZJUUUORDSA-N 1 0 281.316 0.238 10 5 CCBERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000311079834 334729784 /nfs/dbraw/zinc/72/97/84/334729784.db2.gz CMLGKBQIDSCPOC-GHMZBOCLSA-N 1 0 265.269 0.910 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1cccc([N+](=O)[O-])c1 ZINC000414666507 534603435 /nfs/dbraw/zinc/60/34/35/534603435.db2.gz WWGTYMXDFIHXRF-GZMMTYOYSA-N 1 0 280.284 0.297 10 5 CCBERO C[NH2+][C@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O ZINC000062595960 522461294 /nfs/dbraw/zinc/46/12/94/522461294.db2.gz VZURUFXQRPDPJH-MRVPVSSYSA-N 1 0 271.248 0.576 10 5 CCBERO C[NH2+]CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000054244787 632349978 /nfs/dbraw/zinc/34/99/78/632349978.db2.gz AJBVTTSDSWFXLT-UHFFFAOYSA-N 1 0 266.257 0.557 10 5 CCBERO O=[N+]([O-])c1ccnn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247148904 649704098 /nfs/dbraw/zinc/70/40/98/649704098.db2.gz RVGUSFORDXJLDR-JTQLQIEISA-N 1 0 251.290 0.529 10 5 CCBERO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@]1(C)C[NH3+] ZINC000310984179 232015871 /nfs/dbraw/zinc/01/58/71/232015871.db2.gz GMTSLDSHZBYIOQ-LDYMZIIASA-N 1 0 253.306 0.749 10 5 CCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1F ZINC000262285380 137035121 /nfs/dbraw/zinc/03/51/21/137035121.db2.gz ODYKMYIBEJDYTK-CPCISQLKSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263291698 137062959 /nfs/dbraw/zinc/06/29/59/137062959.db2.gz VTHGTZNKWQWLDM-QDFGCFFBSA-N 1 0 277.324 0.778 10 5 CCBERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054076476 348541082 /nfs/dbraw/zinc/54/10/82/348541082.db2.gz LJNYESYEKHSWJE-LLVKDONJSA-N 1 0 292.339 0.851 10 5 CCBERO Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncc1[N+](=O)[O-] ZINC000132891350 350319019 /nfs/dbraw/zinc/31/90/19/350319019.db2.gz LUYFCSJEJAIGQJ-KOLCDFICSA-N 1 0 266.301 0.851 10 5 CCBERO COC(=O)[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000133713088 350342348 /nfs/dbraw/zinc/34/23/48/350342348.db2.gz ZCAAMHBLXNSFNA-LLVKDONJSA-N 1 0 296.327 0.985 10 5 CCBERO O=[N+]([O-])c1ccc(CN2CCOC[C@@H]2CO)cc1 ZINC000168827053 350831624 /nfs/dbraw/zinc/83/16/24/350831624.db2.gz FTKVRCXDEHFTOE-LBPRGKRZSA-N 1 0 252.270 0.788 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000245412084 352321739 /nfs/dbraw/zinc/32/17/39/352321739.db2.gz ZVQXJLBEVUQECW-RYUDHWBXSA-N 1 0 279.344 0.960 10 5 CCBERO CCO[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C[NH3+] ZINC000405269225 357823976 /nfs/dbraw/zinc/82/39/76/357823976.db2.gz TYPDXQACGQYWTE-NXEZZACHSA-N 1 0 283.332 0.437 10 5 CCBERO CN(CC[N@H+](C)CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000598919365 361531749 /nfs/dbraw/zinc/53/17/49/361531749.db2.gz MIZITWYKIBADDT-UHFFFAOYSA-N 1 0 267.329 0.951 10 5 CCBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000599013239 361555736 /nfs/dbraw/zinc/55/57/36/361555736.db2.gz YLGFVHSLCADGHS-RYUDHWBXSA-N 1 0 252.270 0.834 10 5 CCBERO C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@@H]1C[NH3+] ZINC000070178439 388954706 /nfs/dbraw/zinc/95/47/06/388954706.db2.gz CSIQIYAYUQHVNK-RKDXNWHRSA-N 1 0 253.306 0.892 10 5 CCBERO COc1cccc(NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000420249142 389972859 /nfs/dbraw/zinc/97/28/59/389972859.db2.gz ISRPPZDACUJCEL-SCZZXKLOSA-N 1 0 267.285 0.596 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCNC(C)=O ZINC000035139596 172007973 /nfs/dbraw/zinc/00/79/73/172007973.db2.gz MIJAVHUIFXZPSD-UHFFFAOYSA-N 1 0 267.285 0.829 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031650 174026396 /nfs/dbraw/zinc/02/63/96/174026396.db2.gz HKVGWRYCZADUJH-UHFFFAOYSA-N 1 0 292.339 0.771 10 5 CCBERO Cc1cc(C)c(OCC[C@H]([NH3+])C(N)=O)c([N+](=O)[O-])c1 ZINC000062595592 524311508 /nfs/dbraw/zinc/31/15/08/524311508.db2.gz PWJZLDQMEQKGBF-VIFPVBQESA-N 1 0 267.285 0.793 10 5 CCBERO O=[N+]([O-])c1ccnc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000095092091 349589921 /nfs/dbraw/zinc/58/99/21/349589921.db2.gz NTPVRACBWPVEQB-QMMMGPOBSA-N 1 0 286.313 0.020 10 5 CCBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262415989 137043012 /nfs/dbraw/zinc/04/30/12/137043012.db2.gz ZPZDRRBUMOCPGB-JOYOIKCWSA-N 1 0 279.296 0.213 10 5 CCBERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cccc1[N+](=O)[O-] ZINC000262240502 137032435 /nfs/dbraw/zinc/03/24/35/137032435.db2.gz KYGVUWCIGSLYJD-JOYOIKCWSA-N 1 0 279.296 0.213 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000262326422 137038613 /nfs/dbraw/zinc/03/86/13/137038613.db2.gz RWEXRTAARBXKFY-KCJUWKMLSA-N 1 0 283.259 0.044 10 5 CCBERO O=[N+]([O-])c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263267122 137061988 /nfs/dbraw/zinc/06/19/88/137061988.db2.gz RREZDIKFPWDCQS-CMPLNLGQSA-N 1 0 251.286 0.265 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263244941 137061206 /nfs/dbraw/zinc/06/12/06/137061206.db2.gz PEKOPDHSHQXXQY-YPMHNXCESA-N 1 0 265.313 0.573 10 5 CCBERO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179172197 189174311 /nfs/dbraw/zinc/17/43/11/189174311.db2.gz IGECLWBEAGJWPZ-VXGBXAGGSA-N 1 0 282.296 0.401 10 5 CCBERO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179180710 189175215 /nfs/dbraw/zinc/17/52/15/189175215.db2.gz ATNRGWBFIDTVMF-OLZOCXBDSA-N 1 0 266.297 0.565 10 5 CCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)C1CC[NH2+]CC1 ZINC000095091849 285167442 /nfs/dbraw/zinc/16/74/42/285167442.db2.gz MIYVPOMPYOUYBW-UHFFFAOYSA-N 1 0 271.298 0.516 10 5 CCBERO CNC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183635922 388760364 /nfs/dbraw/zinc/76/03/64/388760364.db2.gz KBTZYPJJZXLHNX-SNVBAGLBSA-N 1 0 269.305 0.152 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000390090218 389772442 /nfs/dbraw/zinc/77/24/42/389772442.db2.gz DULXHCWLNFUPLZ-JTQLQIEISA-N 1 0 252.274 0.780 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000420258882 389975132 /nfs/dbraw/zinc/97/51/32/389975132.db2.gz YBQSMMOYSZRCBF-WRWORJQWSA-N 1 0 255.249 0.726 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420240580 389971313 /nfs/dbraw/zinc/97/13/13/389971313.db2.gz ABBVIKPANPODPU-JOYOIKCWSA-N 1 0 251.286 0.895 10 5 CCBERO Cc1cnc(NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])c1 ZINC000420248209 389972822 /nfs/dbraw/zinc/97/28/22/389972822.db2.gz HXFZPGVLKTZCDU-SCZZXKLOSA-N 1 0 252.274 0.290 10 5 CCBERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000284976181 196169725 /nfs/dbraw/zinc/16/97/25/196169725.db2.gz XGFQLLDZGWXARX-CYBMUJFWSA-N 1 0 279.296 0.407 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000471715374 277131369 /nfs/dbraw/zinc/13/13/69/277131369.db2.gz MAHQITJNMXZAHC-MNOVXSKESA-N 1 0 264.285 0.509 10 5 CCBERO C[C@H]([NH3+])[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000156536233 639823390 /nfs/dbraw/zinc/82/33/90/639823390.db2.gz KFLXNQIETLFIDX-OIBJUYFYSA-N 1 0 293.283 0.683 10 5 CCBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc([N+](=O)[O-])cn1)C2 ZINC000600956004 362100525 /nfs/dbraw/zinc/10/05/25/362100525.db2.gz NABJMDSIKUWNKD-TXEJJXNPSA-N 1 0 263.301 0.821 10 5 CCBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C[NH3+] ZINC000602594087 362698963 /nfs/dbraw/zinc/69/89/63/362698963.db2.gz PJMIXNWYAZHSFG-DTWKUNHWSA-N 1 0 266.301 0.600 10 5 CCBERO Cc1cc(F)cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262156313 137028795 /nfs/dbraw/zinc/02/87/95/137028795.db2.gz IAEFGBANNYGQML-KCJUWKMLSA-N 1 0 297.286 0.352 10 5 CCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262329134 137038398 /nfs/dbraw/zinc/03/83/98/137038398.db2.gz SDPCZLGGZDHSFC-KCJUWKMLSA-N 1 0 299.714 0.558 10 5 CCBERO Cc1cc([N+](=O)[O-])cnc1NCC(=O)N1CC[NH2+]CC1 ZINC000052813002 348514605 /nfs/dbraw/zinc/51/46/05/348514605.db2.gz ZHHKGYYPWHVFRD-UHFFFAOYSA-N 1 0 279.300 0.142 10 5 CCBERO O=[N+]([O-])c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415137595 233703183 /nfs/dbraw/zinc/70/31/83/233703183.db2.gz FXEYIZFUKTVYAH-QWHCGFSZSA-N 1 0 263.297 0.767 10 5 CCBERO NC(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000209507388 351928335 /nfs/dbraw/zinc/92/83/35/351928335.db2.gz GNWUSXFZAGLIHD-SKDRFNHKSA-N 1 0 276.296 0.492 10 5 CCBERO CN1CCN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226621305 352031545 /nfs/dbraw/zinc/03/15/45/352031545.db2.gz OUKCQBXSTVBMAP-JTQLQIEISA-N 1 0 268.292 0.813 10 5 CCBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401518736 357800190 /nfs/dbraw/zinc/80/01/90/357800190.db2.gz AOUOPOUUCMGCMG-ONGXEEELSA-N 1 0 268.317 0.802 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404083241 357814812 /nfs/dbraw/zinc/81/48/12/357814812.db2.gz QCQQAFPINRYVKC-DTWKUNHWSA-N 1 0 281.268 0.391 10 5 CCBERO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404073801 357814839 /nfs/dbraw/zinc/81/48/39/357814839.db2.gz MNVHBFIULZMLIQ-VHSXEESVSA-N 1 0 280.284 0.126 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588864433 359343732 /nfs/dbraw/zinc/34/37/32/359343732.db2.gz IRVLYIUHERKWBV-SNVBAGLBSA-N 1 0 281.312 0.556 10 5 CCBERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592298764 359813686 /nfs/dbraw/zinc/81/36/86/359813686.db2.gz PWYITMIEOMFUKP-XVKPBYJWSA-N 1 0 280.284 0.553 10 5 CCBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000251006754 285145323 /nfs/dbraw/zinc/14/53/23/285145323.db2.gz ATRCQDFPZANYPO-LLVKDONJSA-N 1 0 264.329 0.982 10 5 CCBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCCO2)cn1 ZINC000390090226 389772189 /nfs/dbraw/zinc/77/21/89/389772189.db2.gz DULXHCWLNFUPLZ-SNVBAGLBSA-N 1 0 252.274 0.780 10 5 CCBERO O=[N+]([O-])c1c(NC[C@@H]2C[NH2+]C[C@H]2O)nc2sccn21 ZINC000420241240 389971223 /nfs/dbraw/zinc/97/12/23/389971223.db2.gz ANXIYGDBBYDBCU-NKWVEPMBSA-N 1 0 283.313 0.296 10 5 CCBERO COc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(F)cc1[N+](=O)[O-] ZINC000420258991 389974861 /nfs/dbraw/zinc/97/48/61/389974861.db2.gz YDVBWONWLUQCFS-CPCISQLKSA-N 1 0 285.275 0.735 10 5 CCBERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284843538 196142033 /nfs/dbraw/zinc/14/20/33/196142033.db2.gz NWCKQQHAXHBMEG-ZDUSSCGKSA-N 1 0 279.296 0.407 10 5 CCBERO O=[N+]([O-])c1ccc(NCCN2CC[NH2+]CC2)cc1 ZINC000036278902 172569856 /nfs/dbraw/zinc/56/98/56/172569856.db2.gz UONGGPRTYHQBGW-UHFFFAOYSA-N 1 0 250.302 0.912 10 5 CCBERO O=c1[nH]cnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040622780 174355714 /nfs/dbraw/zinc/35/57/14/174355714.db2.gz MRWKECNQAHFHLF-UHFFFAOYSA-N 1 0 267.289 0.988 10 5 CCBERO CNc1cc(C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000054414382 522554866 /nfs/dbraw/zinc/55/48/66/522554866.db2.gz OSKHSRBPXDDXOT-UHFFFAOYSA-N 1 0 266.301 0.928 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]23C[C@H]2[NH2+]CCC3)cc1 ZINC000757067144 581691936 /nfs/dbraw/zinc/69/19/36/581691936.db2.gz RRQCXMLNMCNERG-VXGBXAGGSA-N 1 0 297.336 0.768 10 5 CCBERO O=[N+]([O-])c1ccnc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000095092090 349589928 /nfs/dbraw/zinc/58/99/28/349589928.db2.gz NTPVRACBWPVEQB-MRVPVSSYSA-N 1 0 286.313 0.020 10 5 CCBERO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCOCC[NH3+] ZINC000600955983 362100370 /nfs/dbraw/zinc/10/03/70/362100370.db2.gz LVGJCHLPBJHCKA-UHFFFAOYSA-N 1 0 271.321 0.531 10 5 CCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000116798155 349874074 /nfs/dbraw/zinc/87/40/74/349874074.db2.gz KTQOVXDHQBARTE-SECBINFHSA-N 1 0 283.284 0.590 10 5 CCBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C[NH3+] ZINC000602594088 362698885 /nfs/dbraw/zinc/69/88/85/362698885.db2.gz PJMIXNWYAZHSFG-IUCAKERBSA-N 1 0 266.301 0.600 10 5 CCBERO Cc1cc(F)cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262156320 137028889 /nfs/dbraw/zinc/02/88/89/137028889.db2.gz IAEFGBANNYGQML-LDYMZIIASA-N 1 0 297.286 0.352 10 5 CCBERO C[C@@H](CC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000310987928 137073646 /nfs/dbraw/zinc/07/36/46/137073646.db2.gz KTXNZLBREIEYQZ-LURJTMIESA-N 1 0 253.262 0.238 10 5 CCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000104209033 185931579 /nfs/dbraw/zinc/93/15/79/185931579.db2.gz YNHXIZHOOCMWDM-ZETCQYMHSA-N 1 0 289.313 0.229 10 5 CCBERO CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000124478291 350099423 /nfs/dbraw/zinc/09/94/23/350099423.db2.gz XAZXZWNRXPULEA-SNVBAGLBSA-N 1 0 290.327 0.550 10 5 CCBERO CCc1nn(C)c(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000234178059 352155201 /nfs/dbraw/zinc/15/52/01/352155201.db2.gz ONBCTYKHBUTLOU-QMMMGPOBSA-N 1 0 269.305 0.291 10 5 CCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157954221 188349130 /nfs/dbraw/zinc/34/91/30/188349130.db2.gz VTGTZYFDDHVPCR-DTWKUNHWSA-N 1 0 279.300 0.627 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285127699 353558558 /nfs/dbraw/zinc/55/85/58/353558558.db2.gz RYVMJYDPHKKZHY-UWVGGRQHSA-N 1 0 281.316 0.238 10 5 CCBERO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311517104 354200717 /nfs/dbraw/zinc/20/07/17/354200717.db2.gz CGOBMVZILYXKDH-CABZTGNLSA-N 1 0 265.317 0.894 10 5 CCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000588864432 359343796 /nfs/dbraw/zinc/34/37/96/359343796.db2.gz IRVLYIUHERKWBV-JTQLQIEISA-N 1 0 281.312 0.556 10 5 CCBERO O=C(NC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592320375 359818269 /nfs/dbraw/zinc/81/82/69/359818269.db2.gz CVNPROYQIIJSMT-ZETCQYMHSA-N 1 0 266.257 0.035 10 5 CCBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179659514 189210802 /nfs/dbraw/zinc/21/08/02/189210802.db2.gz DLTKUDPKYJGRDB-MRVPVSSYSA-N 1 0 265.273 0.238 10 5 CCBERO C[N@@H+]1CCO[C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000302065204 201326320 /nfs/dbraw/zinc/32/63/20/201326320.db2.gz UFEWLKPRWMGLFC-KBPBESRZSA-N 1 0 293.323 0.606 10 5 CCBERO C[C@@H](C[NH3+])CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000420214493 389966503 /nfs/dbraw/zinc/96/65/03/389966503.db2.gz IYWIILOIDJROQP-LURJTMIESA-N 1 0 253.262 0.095 10 5 CCBERO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095091925 184941110 /nfs/dbraw/zinc/94/11/10/184941110.db2.gz ZXCADKBYKKDKJX-MRVPVSSYSA-N 1 0 271.298 0.373 10 5 CCBERO NN=c1nc[nH]c(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040622665 174355551 /nfs/dbraw/zinc/35/55/51/174355551.db2.gz RXUHVKMMJJZIKV-UHFFFAOYSA-N 1 0 281.320 0.568 10 5 CCBERO C[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)[C@H]1C[NH3+] ZINC000252463790 290452961 /nfs/dbraw/zinc/45/29/61/290452961.db2.gz CSIQIYAYUQHVNK-IUCAKERBSA-N 1 0 253.306 0.892 10 5 CCBERO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000369748273 536012347 /nfs/dbraw/zinc/01/23/47/536012347.db2.gz DQWWASYSHZYFOA-SNVBAGLBSA-N 1 0 281.316 0.392 10 5 CCBERO