smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000160445184 351970434 /nfs/dbraw/zinc/97/04/34/351970434.db2.gz CTKVYBCPBJXGSR-MRVPVSSYSA-N 1 0 283.288 -0.280 10 5 CBBERO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185151934 352116095 /nfs/dbraw/zinc/11/60/95/352116095.db2.gz HYFHKAKOLMQRPL-PSASIEDQSA-N 1 0 256.262 -0.781 10 5 CBBERO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])C[C@H](O)C1 ZINC000219611969 352237936 /nfs/dbraw/zinc/23/79/36/352237936.db2.gz VJACWULKPWSUSY-SFYZADRCSA-N 1 0 255.278 -0.383 10 5 CBBERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262210848 352409809 /nfs/dbraw/zinc/40/98/09/352409809.db2.gz IVEYKDPAGXVDRA-ONGXEEELSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000262301971 352414253 /nfs/dbraw/zinc/41/42/53/352414253.db2.gz PQTCYSATTDFQDA-HTRCEHHLSA-N 1 0 254.246 -0.767 10 5 CBBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262231885 137711262 /nfs/dbraw/zinc/71/12/62/137711262.db2.gz KIKHDGKBYIVNLL-GXSJLCMTSA-N 1 0 295.295 -0.330 10 5 CBBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000592549292 355162033 /nfs/dbraw/zinc/16/20/33/355162033.db2.gz XZVSQADSWGJVFL-GMSGAONNSA-N 1 0 268.273 -0.757 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592338411 355149156 /nfs/dbraw/zinc/14/91/56/355149156.db2.gz ZYOINYKJCFMUEZ-HZGVNTEJSA-N 1 0 282.256 -0.995 10 5 CBBERO O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000179185187 189176107 /nfs/dbraw/zinc/17/61/07/189176107.db2.gz LAXFLQPKVOEJIT-ZJUUUORDSA-N 1 0 295.295 -0.039 10 5 CBBERO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC000153119451 372806302 /nfs/dbraw/zinc/80/63/02/372806302.db2.gz VKJKPRQQRPGCPW-IUCAKERBSA-N 1 0 280.288 -0.514 10 5 CBBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262471589 190055741 /nfs/dbraw/zinc/05/57/41/190055741.db2.gz ZCNZSNXHUXZASZ-MNOVXSKESA-N 1 0 279.296 -0.024 10 5 CBBERO CCOCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037892948 184543735 /nfs/dbraw/zinc/54/37/35/184543735.db2.gz OFKPLZROXKYMDV-SNVBAGLBSA-N 1 0 258.278 -0.222 10 5 CBBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420243207 420248911 /nfs/dbraw/zinc/24/89/11/420248911.db2.gz CKBYXHZWJVMHNO-SCZZXKLOSA-N 1 0 252.274 0.290 10 5 CBBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420243208 420249648 /nfs/dbraw/zinc/24/96/48/420249648.db2.gz CKBYXHZWJVMHNO-WCBMZHEXSA-N 1 0 252.274 0.290 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc([N+](=O)[O-])s1 ZINC000226779058 656107455 /nfs/dbraw/zinc/10/74/55/656107455.db2.gz UMYPTSVLFZGMFV-UHFFFAOYSA-N 1 0 285.329 -0.081 10 5 CBBERO C[NH2+][C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000261639755 656125370 /nfs/dbraw/zinc/12/53/70/656125370.db2.gz DDUOWNHFPNGOIS-SSDOTTSWSA-N 1 0 255.278 -0.176 10 5 CBBERO CCn1cc(S(=O)(=O)NC[C@@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC000261858125 656127154 /nfs/dbraw/zinc/12/71/54/656127154.db2.gz YARIESWTKXGZLH-SSDOTTSWSA-N 1 0 291.333 -0.303 10 5 CBBERO CNS(=O)(=O)c1ccc(NCC[NH3+])c([N+](=O)[O-])c1 ZINC000035059768 351385772 /nfs/dbraw/zinc/38/57/72/351385772.db2.gz JHQXQDDLFUMHSZ-UHFFFAOYSA-N 1 0 274.302 -0.127 10 5 CBBERO COC[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037875209 351410020 /nfs/dbraw/zinc/41/00/20/351410020.db2.gz MKGNXYGJCLIBFP-WPRPVWTQSA-N 1 0 258.278 -0.223 10 5 CBBERO O=C(CNc1ccc([N+](=O)[O-])cn1)N1CC[NH2+]CC1 ZINC000057915755 351557161 /nfs/dbraw/zinc/55/71/61/351557161.db2.gz BEMYUTPRLVRGNC-UHFFFAOYSA-N 1 0 265.273 -0.167 10 5 CBBERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262210847 352410097 /nfs/dbraw/zinc/41/00/97/352410097.db2.gz IVEYKDPAGXVDRA-MWLCHTKSSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262218730 352411368 /nfs/dbraw/zinc/41/13/68/352411368.db2.gz JHZSAFWXUSGBHZ-SKDRFNHKSA-N 1 0 294.311 -0.297 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000262243847 352412625 /nfs/dbraw/zinc/41/26/25/352412625.db2.gz LCYBUXVXVGOPJT-IMTBSYHQSA-N 1 0 254.246 -0.767 10 5 CBBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262300328 352414019 /nfs/dbraw/zinc/41/40/19/352414019.db2.gz PNPHMRPPRIKDQZ-PELKAZGASA-N 1 0 295.295 -0.087 10 5 CBBERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)n1cc([N+](=O)[O-])cn1 ZINC000262314667 352415187 /nfs/dbraw/zinc/41/51/87/352415187.db2.gz QSGUTYSKWVXRQI-WCBMZHEXSA-N 1 0 297.315 -0.777 10 5 CBBERO Nc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc(F)cc1[N+](=O)[O-] ZINC000262335934 352417315 /nfs/dbraw/zinc/41/73/15/352417315.db2.gz SRRJCOGPBDHKEV-LDWIPMOCSA-N 1 0 298.274 -0.374 10 5 CBBERO Nc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000262086076 352406254 /nfs/dbraw/zinc/40/62/54/352406254.db2.gz CRNFICXNRMOACD-XCBNKYQSSA-N 1 0 280.284 -0.513 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])o1 ZINC000262111350 352407346 /nfs/dbraw/zinc/40/73/46/352407346.db2.gz FKKDBVLCPUVFRZ-RQJHMYQMSA-N 1 0 255.230 -0.502 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])s1 ZINC000262076883 137707060 /nfs/dbraw/zinc/70/70/60/137707060.db2.gz CDRVSKKSLMOMPO-NKWVEPMBSA-N 1 0 271.298 -0.034 10 5 CBBERO Cn1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262267924 137711997 /nfs/dbraw/zinc/71/19/97/137711997.db2.gz MSHJTJTWDRELRV-VXNVDRBHSA-N 1 0 268.273 -0.757 10 5 CBBERO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]([NH3+])C[C@@H](O)C1 ZINC000584637647 355034126 /nfs/dbraw/zinc/03/41/26/355034126.db2.gz VJACWULKPWSUSY-HTQZYQBOSA-N 1 0 255.278 -0.383 10 5 CBBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591685554 355107496 /nfs/dbraw/zinc/10/74/96/355107496.db2.gz JRWDFSMUSMHHAJ-APPZFPTMSA-N 1 0 253.262 -0.261 10 5 CBBERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000036235929 172533500 /nfs/dbraw/zinc/53/35/00/172533500.db2.gz LYTOTDKGIRVWCQ-XPUUQOCRSA-N 1 0 255.230 -0.096 10 5 CBBERO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261280 172553824 /nfs/dbraw/zinc/55/38/24/172553824.db2.gz FQUDJYDPIXVJQE-RNFRBKRXSA-N 1 0 255.230 -0.408 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncccc1[N+](=O)[O-] ZINC000038031669 174026938 /nfs/dbraw/zinc/02/69/38/174026938.db2.gz WIABZFYANQRSKA-UHFFFAOYSA-N 1 0 279.300 -0.142 10 5 CBBERO COC1CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000234687378 656114459 /nfs/dbraw/zinc/11/44/59/656114459.db2.gz SLFMSWMOZRHMRC-LDGBHUKOSA-N 1 0 270.289 -0.081 10 5 CBBERO CCn1cc(S(=O)(=O)NC[C@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC000261858128 656127161 /nfs/dbraw/zinc/12/71/61/656127161.db2.gz YARIESWTKXGZLH-ZETCQYMHSA-N 1 0 291.333 -0.303 10 5 CBBERO Nc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262221923 656129848 /nfs/dbraw/zinc/12/98/48/656129848.db2.gz JNDMMGXRZVIJEZ-GZMMTYOYSA-N 1 0 280.284 -0.513 10 5 CBBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262375920 656131404 /nfs/dbraw/zinc/13/14/04/656131404.db2.gz MIECWHFMGKFRBP-RDDDGLTNSA-N 1 0 280.284 -0.513 10 5 CBBERO CN(CC[NH3+])c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054419492 351536103 /nfs/dbraw/zinc/53/61/03/351536103.db2.gz WBXKDMCIUITNBR-UHFFFAOYSA-N 1 0 274.302 -0.363 10 5 CBBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089169411 351728682 /nfs/dbraw/zinc/72/86/82/351728682.db2.gz PXTCBVFGPCKQMO-WCQGTBRESA-N 1 0 284.316 -0.097 10 5 CBBERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262210845 352410016 /nfs/dbraw/zinc/41/00/16/352410016.db2.gz IVEYKDPAGXVDRA-KOLCDFICSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000262231690 352411605 /nfs/dbraw/zinc/41/16/05/352411605.db2.gz KHCPLRSSARKKSS-GZMMTYOYSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000262301975 352414266 /nfs/dbraw/zinc/41/42/66/352414266.db2.gz PQTCYSATTDFQDA-SVRRBLITSA-N 1 0 254.246 -0.767 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262322602 352416222 /nfs/dbraw/zinc/41/62/22/352416222.db2.gz RMGFQHRJAQDLIK-MWLCHTKSSA-N 1 0 265.269 -0.095 10 5 CBBERO Nc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cccc1[N+](=O)[O-] ZINC000262086074 352406495 /nfs/dbraw/zinc/40/64/95/352406495.db2.gz CRNFICXNRMOACD-OIBJUYFYSA-N 1 0 280.284 -0.513 10 5 CBBERO CCCc1n[nH]c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262133223 137708135 /nfs/dbraw/zinc/70/81/35/137708135.db2.gz GRCBGSXRMXTAJK-APPZFPTMSA-N 1 0 297.315 -0.420 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1csc([N+](=O)[O-])c1 ZINC000262206017 137709770 /nfs/dbraw/zinc/70/97/70/137709770.db2.gz IMXJJKVLEGREEJ-JGVFFNPUSA-N 1 0 271.298 -0.034 10 5 CBBERO CCN1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389391511 353790466 /nfs/dbraw/zinc/79/04/66/353790466.db2.gz JFXJXLMEWOWOGR-PWSUYJOCSA-N 1 0 283.332 -0.164 10 5 CBBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262471592 190055829 /nfs/dbraw/zinc/05/58/29/190055829.db2.gz ZCNZSNXHUXZASZ-QWRGUYRKSA-N 1 0 279.296 -0.024 10 5 CBBERO Cc1nn(CC(=O)NCCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000002538322 169805490 /nfs/dbraw/zinc/80/54/90/169805490.db2.gz ZEIHLNLGFRMOSF-UHFFFAOYSA-N 1 0 255.278 -0.127 10 5 CBBERO CC[N+](C)(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000005115118 170067067 /nfs/dbraw/zinc/06/70/67/170067067.db2.gz RJQGWJDZVFJJNM-UHFFFAOYSA-N 1 0 294.379 -0.080 10 5 CBBERO Cc1nn(C)c(N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000038031663 174027162 /nfs/dbraw/zinc/02/71/62/174027162.db2.gz GLGVXLPXFZDURU-UHFFFAOYSA-N 1 0 296.331 -0.495 10 5 CBBERO N[N+](=O)c1cnn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000585087096 570322255 /nfs/dbraw/zinc/32/22/55/570322255.db2.gz MMXZAEWDTOEYEQ-VIFPVBQESA-N 1 0 282.240 -0.667 10 5 CBBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262375924 656131438 /nfs/dbraw/zinc/13/14/38/656131438.db2.gz MIECWHFMGKFRBP-WRWORJQWSA-N 1 0 280.284 -0.513 10 5 CBBERO C[N+](CCO)(CCO)C[C@@H](O)COc1ccccc1 ZINC000001874593 717090795 /nfs/dbraw/zinc/09/07/95/717090795.db2.gz UZIXPSUCXPFGHM-CYBMUJFWSA-N 1 0 270.349 -0.143 10 5 CBBERO C[NH2+][C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261808391 290800089 /nfs/dbraw/zinc/80/00/89/290800089.db2.gz SJVZWAUYYOODNV-QMMMGPOBSA-N 1 0 268.273 -0.519 10 5 CBBERO CN1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000091436502 351744928 /nfs/dbraw/zinc/74/49/28/351744928.db2.gz DKSGFXIJSZFFCR-RYUDHWBXSA-N 1 0 299.331 -0.928 10 5 CBBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262220187 352411682 /nfs/dbraw/zinc/41/16/82/352411682.db2.gz JJZHVBQXBZQVAZ-GZMMTYOYSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000262260127 352412300 /nfs/dbraw/zinc/41/23/00/352412300.db2.gz MDUZPJPXRDBHJX-ONGXEEELSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000262260125 352412765 /nfs/dbraw/zinc/41/27/65/352412765.db2.gz MDUZPJPXRDBHJX-MWLCHTKSSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262322603 352416570 /nfs/dbraw/zinc/41/65/70/352416570.db2.gz RMGFQHRJAQDLIK-ONGXEEELSA-N 1 0 265.269 -0.095 10 5 CBBERO Nc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc(F)cc1[N+](=O)[O-] ZINC000262335936 352417070 /nfs/dbraw/zinc/41/70/70/352417070.db2.gz SRRJCOGPBDHKEV-LHLIQPBNSA-N 1 0 298.274 -0.374 10 5 CBBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262351471 352418319 /nfs/dbraw/zinc/41/83/19/352418319.db2.gz ULNZACDXGZDFJV-CABZTGNLSA-N 1 0 295.295 -0.330 10 5 CBBERO CN1CC[NH2+]C[C@H]1c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000263302200 352442076 /nfs/dbraw/zinc/44/20/76/352442076.db2.gz XFMLPMVBZGICHK-VIFPVBQESA-N 1 0 293.287 -0.201 10 5 CBBERO CCCc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1[N+](=O)[O-] ZINC000262133226 352407090 /nfs/dbraw/zinc/40/70/90/352407090.db2.gz GRCBGSXRMXTAJK-CBAPKCEASA-N 1 0 297.315 -0.420 10 5 CBBERO CCN1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389391509 353790714 /nfs/dbraw/zinc/79/07/14/353790714.db2.gz JFXJXLMEWOWOGR-JQWIXIFHSA-N 1 0 283.332 -0.164 10 5 CBBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000570081876 354853307 /nfs/dbraw/zinc/85/33/07/354853307.db2.gz LFUWELZNYLKLHN-WDEREUQCSA-N 1 0 280.284 -0.254 10 5 CBBERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000584634959 355033773 /nfs/dbraw/zinc/03/37/73/355033773.db2.gz CVGHHXYSABDGGN-VXNVDRBHSA-N 1 0 287.297 -0.713 10 5 CBBERO O=[N+]([O-])C1([N+](=O)[O-])C=C(c2cccc[n+]2[O-])[N+](=O)CC1 ZINC000100426709 372778868 /nfs/dbraw/zinc/77/88/68/372778868.db2.gz XCYPSESHMXJSQW-UHFFFAOYSA-N 1 0 280.196 -0.105 10 5 CBBERO O=C(CNc1cc([N+](=O)[O-])ccn1)N1CC[NH2+]CC1 ZINC000043568443 175067460 /nfs/dbraw/zinc/06/74/60/175067460.db2.gz JOZUUBNUJDCMAJ-UHFFFAOYSA-N 1 0 265.273 -0.167 10 5 CBBERO CN(CCN1CC[NH2+]CC1)c1ncc([N+](=O)[O-])cn1 ZINC000071150985 176045020 /nfs/dbraw/zinc/04/50/20/176045020.db2.gz AFKZKYGENCKGLR-UHFFFAOYSA-N 1 0 266.305 -0.274 10 5 CBBERO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420243206 420248915 /nfs/dbraw/zinc/24/89/15/420248915.db2.gz CKBYXHZWJVMHNO-PSASIEDQSA-N 1 0 252.274 0.290 10 5 CBBERO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC000301681868 277125452 /nfs/dbraw/zinc/12/54/52/277125452.db2.gz VKJKPRQQRPGCPW-RKDXNWHRSA-N 1 0 280.288 -0.514 10 5 CBBERO CNS(=O)(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289409 351740737 /nfs/dbraw/zinc/74/07/37/351740737.db2.gz HCBRRNMYOZONFQ-UHFFFAOYSA-N 1 0 286.313 -0.113 10 5 CBBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000250777624 352374172 /nfs/dbraw/zinc/37/41/72/352374172.db2.gz PXTCBVFGPCKQMO-YUSALJHKSA-N 1 0 284.316 -0.097 10 5 CBBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262152381 352408526 /nfs/dbraw/zinc/40/85/26/352408526.db2.gz HWEUHVRQEWTROE-LDYMZIIASA-N 1 0 280.284 -0.392 10 5 CBBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262220195 352410990 /nfs/dbraw/zinc/41/09/90/352410990.db2.gz JJZHVBQXBZQVAZ-LDYMZIIASA-N 1 0 295.295 -0.087 10 5 CBBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262300339 352414287 /nfs/dbraw/zinc/41/42/87/352414287.db2.gz PNPHMRPPRIKDQZ-UFBFGSQYSA-N 1 0 295.295 -0.087 10 5 CBBERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)n1cc([N+](=O)[O-])cn1 ZINC000262314660 352415012 /nfs/dbraw/zinc/41/50/12/352415012.db2.gz QSGUTYSKWVXRQI-PSASIEDQSA-N 1 0 297.315 -0.777 10 5 CBBERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262320197 352416072 /nfs/dbraw/zinc/41/60/72/352416072.db2.gz RFBKMLOMSMVWKT-ONGXEEELSA-N 1 0 295.295 -0.087 10 5 CBBERO Nc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc(F)cc1[N+](=O)[O-] ZINC000262335937 352417076 /nfs/dbraw/zinc/41/70/76/352417076.db2.gz SRRJCOGPBDHKEV-QUBYGPBYSA-N 1 0 298.274 -0.374 10 5 CBBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262068227 352406136 /nfs/dbraw/zinc/40/61/36/352406136.db2.gz BJCMFOJPCPAWQB-ZYHUDNBSSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262231895 137711413 /nfs/dbraw/zinc/71/14/13/137711413.db2.gz KIKHDGKBYIVNLL-MWLCHTKSSA-N 1 0 295.295 -0.330 10 5 CBBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3C[NH2+]C[C@H]3O)[nH]c2c1 ZINC000420243146 354119515 /nfs/dbraw/zinc/11/95/15/354119515.db2.gz OXXYDSCKCWYQTC-WRWORJQWSA-N 1 0 277.284 -0.115 10 5 CBBERO NC(=O)NC(=O)COc1ccc(C[NH3+])cc1[N+](=O)[O-] ZINC000037299980 173104976 /nfs/dbraw/zinc/10/49/76/173104976.db2.gz FOGPUONCDIWFRH-UHFFFAOYSA-N 1 0 268.229 -0.373 10 5 CBBERO COc1cc([N+](=O)[O-])ccc1OC[C@H]([NH3+])C(N)=O ZINC000050506073 522984417 /nfs/dbraw/zinc/98/44/17/522984417.db2.gz BVEMKCOXGOQVJO-ZETCQYMHSA-N 1 0 255.230 -0.205 10 5 CBBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH3+])C1 ZINC000050442681 527239649 /nfs/dbraw/zinc/23/96/49/527239649.db2.gz SLBZPGOMBFVVBS-SSDOTTSWSA-N 1 0 265.273 -0.126 10 5 CBBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(N)c([N+](=O)[O-])c1 ZINC000262335792 656131339 /nfs/dbraw/zinc/13/13/39/656131339.db2.gz SPKUYKJLAULOFJ-KWQFWETISA-N 1 0 294.311 -0.204 10 5 CBBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(N)c([N+](=O)[O-])c1 ZINC000262335794 656131600 /nfs/dbraw/zinc/13/16/00/656131600.db2.gz SPKUYKJLAULOFJ-LDYMZIIASA-N 1 0 294.311 -0.204 10 5 CBBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000052943239 351524251 /nfs/dbraw/zinc/52/42/51/351524251.db2.gz AUKPQAZQGJWIJT-GHMZBOCLSA-N 1 0 265.269 -0.066 10 5 CBBERO C[C@@H](O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085989459 351720321 /nfs/dbraw/zinc/72/03/21/351720321.db2.gz COPVZEAQFUHALB-PSASIEDQSA-N 1 0 258.278 -0.487 10 5 CBBERO CCn1nc(C)c([N+](=O)[O-])c1NCC(=O)N1CC[NH2+]CC1 ZINC000091557653 351744241 /nfs/dbraw/zinc/74/42/41/351744241.db2.gz KAIYSFBZXVQKOD-UHFFFAOYSA-N 1 0 296.331 -0.037 10 5 CBBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262243795 352412444 /nfs/dbraw/zinc/41/24/44/352412444.db2.gz LCTZLIRNFLCZHT-CMPLNLGQSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262243802 352412635 /nfs/dbraw/zinc/41/26/35/352412635.db2.gz LCTZLIRNFLCZHT-PWSUYJOCSA-N 1 0 279.296 -0.166 10 5 CBBERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)n1cc([N+](=O)[O-])cn1 ZINC000262314671 352415071 /nfs/dbraw/zinc/41/50/71/352415071.db2.gz QSGUTYSKWVXRQI-WPRPVWTQSA-N 1 0 297.315 -0.777 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262322600 352416368 /nfs/dbraw/zinc/41/63/68/352416368.db2.gz RMGFQHRJAQDLIK-GXSJLCMTSA-N 1 0 265.269 -0.095 10 5 CBBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000592549295 355161948 /nfs/dbraw/zinc/16/19/48/355161948.db2.gz XZVSQADSWGJVFL-XCBNKYQSSA-N 1 0 268.273 -0.757 10 5 CBBERO C[NH+](C)C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000172307789 188794621 /nfs/dbraw/zinc/79/46/21/188794621.db2.gz PMSQZWOXFAVUHX-NSHDSACASA-N 1 0 297.315 -0.420 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592338413 355149074 /nfs/dbraw/zinc/14/90/74/355149074.db2.gz ZYOINYKJCFMUEZ-MUWHJKNJSA-N 1 0 282.256 -0.995 10 5 CBBERO [NH3+]C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000019966116 170947828 /nfs/dbraw/zinc/94/78/28/170947828.db2.gz QIDKHIDGGNBHGU-ZETCQYMHSA-N 1 0 265.225 -0.490 10 5 CBBERO Cc1n(CCO)c([N+](=O)[O-])c[n+]1Cc1cnc(C)nc1N ZINC000033903222 171825499 /nfs/dbraw/zinc/82/54/99/171825499.db2.gz OFTZXSNXKYDMIL-UHFFFAOYSA-N 1 0 293.307 -0.287 10 5 CBBERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000036236119 172532964 /nfs/dbraw/zinc/53/29/64/172532964.db2.gz SDDGJDKYRRJKNL-SFYZADRCSA-N 1 0 254.246 -0.361 10 5 CBBERO CNC(=O)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686693 419509847 /nfs/dbraw/zinc/50/98/47/419509847.db2.gz KGVFWDYCDZITGR-GHMZBOCLSA-N 1 0 299.331 -0.488 10 5 CBBERO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC000153119571 277125246 /nfs/dbraw/zinc/12/52/46/277125246.db2.gz VKJKPRQQRPGCPW-DTWKUNHWSA-N 1 0 280.288 -0.514 10 5 CBBERO Nc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262221928 656130104 /nfs/dbraw/zinc/13/01/04/656130104.db2.gz JNDMMGXRZVIJEZ-KWQFWETISA-N 1 0 280.284 -0.513 10 5 CBBERO O=C(CNc1ccc([N+](=O)[O-])nc1)N1CC[NH2+]CC1 ZINC000037716345 351402293 /nfs/dbraw/zinc/40/22/93/351402293.db2.gz QEOQEIUROSFKEW-UHFFFAOYSA-N 1 0 265.273 -0.167 10 5 CBBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262220190 352411264 /nfs/dbraw/zinc/41/12/64/352411264.db2.gz JJZHVBQXBZQVAZ-KCJUWKMLSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262322601 352416611 /nfs/dbraw/zinc/41/66/11/352416611.db2.gz RMGFQHRJAQDLIK-KOLCDFICSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262346666 352417577 /nfs/dbraw/zinc/41/75/77/352417577.db2.gz UEDXXHJFICZMHZ-JOYOIKCWSA-N 1 0 295.295 -0.330 10 5 CBBERO CN1CC[NH2+]C[C@H]1c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000263191772 352438627 /nfs/dbraw/zinc/43/86/27/352438627.db2.gz IAFGLDPRTKSZQK-QMMMGPOBSA-N 1 0 293.287 -0.201 10 5 CBBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262089194 352406435 /nfs/dbraw/zinc/40/64/35/352406435.db2.gz CWDQALKHYYPJHT-CMPLNLGQSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262089196 352406558 /nfs/dbraw/zinc/40/65/58/352406558.db2.gz CWDQALKHYYPJHT-JQWIXIFHSA-N 1 0 279.296 -0.166 10 5 CBBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262152378 352408128 /nfs/dbraw/zinc/40/81/28/352408128.db2.gz HWEUHVRQEWTROE-KWQFWETISA-N 1 0 280.284 -0.392 10 5 CBBERO COc1ccc(NC(=O)[C@H](N)CC(N)=O)cc1[N+](=O)[O-] ZINC000312179500 352774125 /nfs/dbraw/zinc/77/41/25/352774125.db2.gz UODTZSGFSMQVHU-SSDOTTSWSA-N 1 0 282.256 -0.255 10 5 CBBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262220193 137711275 /nfs/dbraw/zinc/71/12/75/137711275.db2.gz JJZHVBQXBZQVAZ-KWQFWETISA-N 1 0 295.295 -0.087 10 5 CBBERO C[NH2+]C[C@H](O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000019864353 170899017 /nfs/dbraw/zinc/89/90/17/170899017.db2.gz XCORQMNKVHIJEE-ZETCQYMHSA-N 1 0 279.252 -0.229 10 5 CBBERO [NH3+]C[C@@H](O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000035059146 171961700 /nfs/dbraw/zinc/96/17/00/171961700.db2.gz JKVZZGJTYFVSNL-SSDOTTSWSA-N 1 0 253.214 -0.178 10 5 CBBERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000036236114 172533469 /nfs/dbraw/zinc/53/34/69/172533469.db2.gz UBKRZYOTAFYQRT-APPZFPTMSA-N 1 0 268.273 -0.350 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1c([N+](=O)[O-])ncn1C ZINC000038031641 174025944 /nfs/dbraw/zinc/02/59/44/174025944.db2.gz VLXJPBBGJOQSCT-UHFFFAOYSA-N 1 0 282.304 -0.804 10 5 CBBERO NS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244071 351500130 /nfs/dbraw/zinc/50/01/30/351500130.db2.gz RAGRHZXUGMEJBI-SSDOTTSWSA-N 1 0 286.313 -0.220 10 5 CBBERO NS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244070 351500363 /nfs/dbraw/zinc/50/03/63/351500363.db2.gz RAGRHZXUGMEJBI-ZETCQYMHSA-N 1 0 286.313 -0.220 10 5 CBBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262231899 352410981 /nfs/dbraw/zinc/41/09/81/352410981.db2.gz KIKHDGKBYIVNLL-ONGXEEELSA-N 1 0 295.295 -0.330 10 5 CBBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262231891 352411433 /nfs/dbraw/zinc/41/14/33/352411433.db2.gz KIKHDGKBYIVNLL-KOLCDFICSA-N 1 0 295.295 -0.330 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])o1 ZINC000262111345 137707615 /nfs/dbraw/zinc/70/76/15/137707615.db2.gz FKKDBVLCPUVFRZ-NKWVEPMBSA-N 1 0 255.230 -0.502 10 5 CBBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591685795 355107599 /nfs/dbraw/zinc/10/75/99/355107599.db2.gz PHWONRYESOTDEZ-JGVFFNPUSA-N 1 0 253.262 -0.261 10 5 CBBERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000036236106 172532984 /nfs/dbraw/zinc/53/29/84/172532984.db2.gz NHLCQXNKXXTXBX-SCZZXKLOSA-N 1 0 268.273 -0.350 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000262260120 526554036 /nfs/dbraw/zinc/55/40/36/526554036.db2.gz MDUZPJPXRDBHJX-GXSJLCMTSA-N 1 0 265.269 -0.095 10 5 CBBERO C[NH2+][C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000261639758 656125414 /nfs/dbraw/zinc/12/54/14/656125414.db2.gz DDUOWNHFPNGOIS-ZETCQYMHSA-N 1 0 255.278 -0.176 10 5 CBBERO CCCc1n[nH]c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262133234 352408586 /nfs/dbraw/zinc/40/85/86/352408586.db2.gz GRCBGSXRMXTAJK-VXNVDRBHSA-N 1 0 297.315 -0.420 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000262231696 352411277 /nfs/dbraw/zinc/41/12/77/352411277.db2.gz KHCPLRSSARKKSS-KWQFWETISA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000262243844 352412280 /nfs/dbraw/zinc/41/22/80/352412280.db2.gz LCYBUXVXVGOPJT-HZGVNTEJSA-N 1 0 254.246 -0.767 10 5 CBBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262243799 352412387 /nfs/dbraw/zinc/41/23/87/352412387.db2.gz LCTZLIRNFLCZHT-JQWIXIFHSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262351473 352417856 /nfs/dbraw/zinc/41/78/56/352417856.db2.gz ULNZACDXGZDFJV-SKDRFNHKSA-N 1 0 295.295 -0.330 10 5 CBBERO Nc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000262086078 352406122 /nfs/dbraw/zinc/40/61/22/352406122.db2.gz CRNFICXNRMOACD-XVKPBYJWSA-N 1 0 280.284 -0.513 10 5 CBBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000592549294 355161960 /nfs/dbraw/zinc/16/19/60/355161960.db2.gz XZVSQADSWGJVFL-OIBJUYFYSA-N 1 0 268.273 -0.757 10 5 CBBERO Cn1c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000515831836 373796191 /nfs/dbraw/zinc/79/61/91/373796191.db2.gz UIRVHUYHOSWNSZ-VHSXEESVSA-N 1 0 280.284 -0.254 10 5 CBBERO [NH3+]CCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000020558480 171250807 /nfs/dbraw/zinc/25/08/07/171250807.db2.gz NYXPMRXXYWXLNN-UHFFFAOYSA-N 1 0 263.250 -0.029 10 5 CBBERO NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000035414575 172188332 /nfs/dbraw/zinc/18/83/32/172188332.db2.gz IMSFRFKWFLORHD-UHFFFAOYSA-N 1 0 268.229 -0.373 10 5 CBBERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226442768 352253072 /nfs/dbraw/zinc/25/30/72/352253072.db2.gz BZPVLQHJYQRZFN-JMJZKYOTSA-N 1 0 270.289 -0.081 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1csc([N+](=O)[O-])c1 ZINC000262206019 352410149 /nfs/dbraw/zinc/41/01/49/352410149.db2.gz IMXJJKVLEGREEJ-SFYZADRCSA-N 1 0 271.298 -0.034 10 5 CBBERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262320194 352416277 /nfs/dbraw/zinc/41/62/77/352416277.db2.gz RFBKMLOMSMVWKT-MWLCHTKSSA-N 1 0 295.295 -0.087 10 5 CBBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262152374 352407862 /nfs/dbraw/zinc/40/78/62/352407862.db2.gz HWEUHVRQEWTROE-GZMMTYOYSA-N 1 0 280.284 -0.392 10 5 CBBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262152376 137708376 /nfs/dbraw/zinc/70/83/76/137708376.db2.gz HWEUHVRQEWTROE-KCJUWKMLSA-N 1 0 280.284 -0.392 10 5 CBBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262068217 137706753 /nfs/dbraw/zinc/70/67/53/137706753.db2.gz BJCMFOJPCPAWQB-CMPLNLGQSA-N 1 0 279.296 -0.166 10 5 CBBERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591685555 355107807 /nfs/dbraw/zinc/10/78/07/355107807.db2.gz JRWDFSMUSMHHAJ-IONNQARKSA-N 1 0 253.262 -0.261 10 5 CBBERO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000095091859 285167398 /nfs/dbraw/zinc/16/73/98/285167398.db2.gz VWGPETJFWRPZNY-SSDOTTSWSA-N 1 0 272.286 -0.370 10 5 CBBERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000036236107 172532967 /nfs/dbraw/zinc/53/29/67/172532967.db2.gz NHLCQXNKXXTXBX-WPRPVWTQSA-N 1 0 268.273 -0.350 10 5 CBBERO COc1cc([N+](=O)[O-])ccc1OC[C@@H]([NH3+])C(N)=O ZINC000050506074 522983730 /nfs/dbraw/zinc/98/37/30/522983730.db2.gz BVEMKCOXGOQVJO-SSDOTTSWSA-N 1 0 255.230 -0.205 10 5 CBBERO C[NH2+]CCN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000070304494 656040297 /nfs/dbraw/zinc/04/02/97/656040297.db2.gz KWDQUWJWGBTPOR-UHFFFAOYSA-N 1 0 288.329 -0.102 10 5 CBBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262375913 656131551 /nfs/dbraw/zinc/13/15/51/656131551.db2.gz MIECWHFMGKFRBP-CPCISQLKSA-N 1 0 280.284 -0.513 10 5 CBBERO O=C(CNc1ncccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000037716331 351402653 /nfs/dbraw/zinc/40/26/53/351402653.db2.gz CLHRMDFUWDWXEA-UHFFFAOYSA-N 1 0 265.273 -0.167 10 5 CBBERO COC[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037875211 351410105 /nfs/dbraw/zinc/41/01/05/351410105.db2.gz MKGNXYGJCLIBFP-WCBMZHEXSA-N 1 0 258.278 -0.223 10 5 CBBERO C[NH2+]CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054244784 351533813 /nfs/dbraw/zinc/53/38/13/351533813.db2.gz NPGXHNRCFXPFQB-UHFFFAOYSA-N 1 0 274.302 -0.127 10 5 CBBERO CCc1nn(C)c(NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000091560293 351744865 /nfs/dbraw/zinc/74/48/65/351744865.db2.gz ZKTRMMNMNVGXLB-UHFFFAOYSA-N 1 0 296.331 -0.266 10 5 CBBERO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]([NH3+])C[C@H](O)C1 ZINC000219611898 352238261 /nfs/dbraw/zinc/23/82/61/352238261.db2.gz VJACWULKPWSUSY-YUMQZZPRSA-N 1 0 255.278 -0.383 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1csc([N+](=O)[O-])c1 ZINC000262206015 352410390 /nfs/dbraw/zinc/41/03/90/352410390.db2.gz IMXJJKVLEGREEJ-HTQZYQBOSA-N 1 0 271.298 -0.034 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1csc([N+](=O)[O-])c1 ZINC000262206021 352410548 /nfs/dbraw/zinc/41/05/48/352410548.db2.gz IMXJJKVLEGREEJ-YUMQZZPRSA-N 1 0 271.298 -0.034 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC000262231700 352411269 /nfs/dbraw/zinc/41/12/69/352411269.db2.gz KHCPLRSSARKKSS-LDYMZIIASA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262089200 352406296 /nfs/dbraw/zinc/40/62/96/352406296.db2.gz CWDQALKHYYPJHT-ZYHUDNBSSA-N 1 0 279.296 -0.166 10 5 CBBERO CCCc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1[N+](=O)[O-] ZINC000262133230 352408117 /nfs/dbraw/zinc/40/81/17/352408117.db2.gz GRCBGSXRMXTAJK-IONNQARKSA-N 1 0 297.315 -0.420 10 5 CBBERO O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000179185177 189175494 /nfs/dbraw/zinc/17/54/94/189175494.db2.gz LAXFLQPKVOEJIT-NXEZZACHSA-N 1 0 295.295 -0.039 10 5 CBBERO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000095091860 285167395 /nfs/dbraw/zinc/16/73/95/285167395.db2.gz VWGPETJFWRPZNY-ZETCQYMHSA-N 1 0 272.286 -0.370 10 5 CBBERO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261500 172554669 /nfs/dbraw/zinc/55/46/69/172554669.db2.gz AVRKJHGWQMZJEY-RKDXNWHRSA-N 1 0 268.273 -0.662 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cn1 ZINC000038031674 174027175 /nfs/dbraw/zinc/02/71/75/174027175.db2.gz TXUPUZPTNINZRX-UHFFFAOYSA-N 1 0 279.300 -0.142 10 5 CBBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH2+]CC1 ZINC000050442089 527034850 /nfs/dbraw/zinc/03/48/50/527034850.db2.gz QYRBJBYIXLTKCD-UHFFFAOYSA-N 1 0 251.246 -0.502 10 5 CBBERO N[N+](=O)c1cnn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000585087095 570322268 /nfs/dbraw/zinc/32/22/68/570322268.db2.gz MMXZAEWDTOEYEQ-SECBINFHSA-N 1 0 282.240 -0.667 10 5 CBBERO C[N+](CCO)(CCO)C[C@H](O)COc1ccccc1 ZINC000001874592 717090598 /nfs/dbraw/zinc/09/05/98/717090598.db2.gz UZIXPSUCXPFGHM-ZDUSSCGKSA-N 1 0 270.349 -0.143 10 5 CBBERO NS(=O)(=O)c1ccc(NCC[NH3+])c([N+](=O)[O-])c1 ZINC000036924207 351394508 /nfs/dbraw/zinc/39/45/08/351394508.db2.gz RHDDEOZUXZHJAR-UHFFFAOYSA-N 1 0 260.275 -0.387 10 5 CBBERO C[C@H](O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085989455 351720371 /nfs/dbraw/zinc/72/03/71/351720371.db2.gz COPVZEAQFUHALB-WCBMZHEXSA-N 1 0 258.278 -0.487 10 5 CBBERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000149583566 351930229 /nfs/dbraw/zinc/93/02/29/351930229.db2.gz BZPVLQHJYQRZFN-INTQDDNPSA-N 1 0 270.289 -0.081 10 5 CBBERO C[NH+](C)C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000160445286 351969851 /nfs/dbraw/zinc/96/98/51/351969851.db2.gz CTKVYBCPBJXGSR-QMMMGPOBSA-N 1 0 283.288 -0.280 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000262231693 352411411 /nfs/dbraw/zinc/41/14/11/352411411.db2.gz KHCPLRSSARKKSS-KCJUWKMLSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262218725 352411513 /nfs/dbraw/zinc/41/15/13/352411513.db2.gz JHZSAFWXUSGBHZ-BXKDBHETSA-N 1 0 294.311 -0.297 10 5 CBBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262218726 352411584 /nfs/dbraw/zinc/41/15/84/352411584.db2.gz JHZSAFWXUSGBHZ-CABZTGNLSA-N 1 0 294.311 -0.297 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000262301978 352415139 /nfs/dbraw/zinc/41/51/39/352415139.db2.gz PQTCYSATTDFQDA-XPUUQOCRSA-N 1 0 254.246 -0.767 10 5 CBBERO Nc1c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cccc1[N+](=O)[O-] ZINC000262086072 352406195 /nfs/dbraw/zinc/40/61/95/352406195.db2.gz CRNFICXNRMOACD-GMSGAONNSA-N 1 0 280.284 -0.513 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])s1 ZINC000262076882 352406427 /nfs/dbraw/zinc/40/64/27/352406427.db2.gz CDRVSKKSLMOMPO-BQBZGAKWSA-N 1 0 271.298 -0.034 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])s1 ZINC000262076884 352406432 /nfs/dbraw/zinc/40/64/32/352406432.db2.gz CDRVSKKSLMOMPO-RNFRBKRXSA-N 1 0 271.298 -0.034 10 5 CBBERO CCN1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389391513 353790636 /nfs/dbraw/zinc/79/06/36/353790636.db2.gz JFXJXLMEWOWOGR-ZYHUDNBSSA-N 1 0 283.332 -0.164 10 5 CBBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3C[NH2+]C[C@H]3O)[nH]c2c1 ZINC000420243145 354119691 /nfs/dbraw/zinc/11/96/91/354119691.db2.gz OXXYDSCKCWYQTC-RDDDGLTNSA-N 1 0 277.284 -0.115 10 5 CBBERO Cn1cc([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)CC2=O)n1 ZINC000584629856 355033707 /nfs/dbraw/zinc/03/37/07/355033707.db2.gz QXKPQEGWMZWLID-ZETCQYMHSA-N 1 0 253.262 -0.005 10 5 CBBERO [NH3+]CC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899865 170038143 /nfs/dbraw/zinc/03/81/43/170038143.db2.gz KRKSLSMJVGTCMW-UHFFFAOYSA-N 1 0 252.230 -0.392 10 5 CBBERO CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[NH2+]C[C@H]1O ZINC000036261051 172554022 /nfs/dbraw/zinc/55/40/22/172554022.db2.gz YBZSVGWXHPPPOB-GHMZBOCLSA-N 1 0 265.269 -0.001 10 5 CBBERO COC1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000234693959 656114536 /nfs/dbraw/zinc/11/45/36/656114536.db2.gz SLFMSWMOZRHMRC-JZQLECPJSA-N 1 0 270.289 -0.081 10 5 CBBERO CCCn1cc([N+](=O)[O-])c(=O)n(CC[NH2+]CC)c1=O ZINC000104292913 185957615 /nfs/dbraw/zinc/95/76/15/185957615.db2.gz BXEHJLMTXKJFGS-UHFFFAOYSA-N 1 0 270.289 -0.062 10 5 CBBERO CN1CCO[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000091436501 351744503 /nfs/dbraw/zinc/74/45/03/351744503.db2.gz DKSGFXIJSZFFCR-NWDGAFQWSA-N 1 0 299.331 -0.928 10 5 CBBERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000149583927 351930221 /nfs/dbraw/zinc/93/02/21/351930221.db2.gz BZPVLQHJYQRZFN-LSJOCFKGSA-N 1 0 270.289 -0.081 10 5 CBBERO CN(CCC[NH3+])c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000133828491 351902407 /nfs/dbraw/zinc/90/24/07/351902407.db2.gz LFRUWVSHUFSUBL-UHFFFAOYSA-N 1 0 253.262 -0.126 10 5 CBBERO Cn1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262267920 352413465 /nfs/dbraw/zinc/41/34/65/352413465.db2.gz MSHJTJTWDRELRV-IONNQARKSA-N 1 0 268.273 -0.757 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000262301974 352414168 /nfs/dbraw/zinc/41/41/68/352414168.db2.gz PQTCYSATTDFQDA-POYBYMJQSA-N 1 0 254.246 -0.767 10 5 CBBERO Nc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc(F)cc1[N+](=O)[O-] ZINC000262335939 352417338 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CBBERO Cc1ccc(NC(=O)CNC(=O)C[NH3+])c([N+](=O)[O-])c1 ZINC000037629011 173579227 /nfs/dbraw/zinc/57/92/27/173579227.db2.gz DSFXKHFNSCVRCT-UHFFFAOYSA-N 1 0 266.257 -0.083 10 5 CBBERO CNC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000183686657 419512254 /nfs/dbraw/zinc/51/22/54/419512254.db2.gz KGVFWDYCDZITGR-WDEREUQCSA-N 1 0 299.331 -0.488 10 5 CBBERO Nc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262221926 656130250 /nfs/dbraw/zinc/13/02/50/656130250.db2.gz JNDMMGXRZVIJEZ-KCJUWKMLSA-N 1 0 280.284 -0.513 10 5 CBBERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(N)c([N+](=O)[O-])c1 ZINC000262335788 656131532 /nfs/dbraw/zinc/13/15/32/656131532.db2.gz SPKUYKJLAULOFJ-GZMMTYOYSA-N 1 0 294.311 -0.204 10 5 CBBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262375917 656131810 /nfs/dbraw/zinc/13/18/10/656131810.db2.gz MIECWHFMGKFRBP-HQJQHLMTSA-N 1 0 280.284 -0.513 10 5 CBBERO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185151953 352116120 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-0.087 10 5 CBBERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262320191 352416437 /nfs/dbraw/zinc/41/64/37/352416437.db2.gz RFBKMLOMSMVWKT-KOLCDFICSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262346668 352417043 /nfs/dbraw/zinc/41/70/43/352417043.db2.gz UEDXXHJFICZMHZ-SKDRFNHKSA-N 1 0 295.295 -0.330 10 5 CBBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262351472 352417827 /nfs/dbraw/zinc/41/78/27/352417827.db2.gz ULNZACDXGZDFJV-JOYOIKCWSA-N 1 0 295.295 -0.330 10 5 CBBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262351470 352418299 /nfs/dbraw/zinc/41/82/99/352418299.db2.gz ULNZACDXGZDFJV-BXKDBHETSA-N 1 0 295.295 -0.330 10 5 CBBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262068221 352405074 /nfs/dbraw/zinc/40/50/74/352405074.db2.gz BJCMFOJPCPAWQB-JQWIXIFHSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262089198 352406515 /nfs/dbraw/zinc/40/65/15/352406515.db2.gz CWDQALKHYYPJHT-PWSUYJOCSA-N 1 0 279.296 -0.166 10 5 CBBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262300336 137713665 /nfs/dbraw/zinc/71/36/65/137713665.db2.gz PNPHMRPPRIKDQZ-QPUJVOFHSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592338414 355149189 /nfs/dbraw/zinc/14/91/89/355149189.db2.gz ZYOINYKJCFMUEZ-RCOVLWMOSA-N 1 0 282.256 -0.995 10 5 CBBERO C[C@H](O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085989451 351720577 /nfs/dbraw/zinc/72/05/77/351720577.db2.gz COPVZEAQFUHALB-WPRPVWTQSA-N 1 0 258.278 -0.487 10 5 CBBERO C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000172307788 352024097 /nfs/dbraw/zinc/02/40/97/352024097.db2.gz PMSQZWOXFAVUHX-LLVKDONJSA-N 1 0 297.315 -0.420 10 5 CBBERO CN1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000227322009 352256660 /nfs/dbraw/zinc/25/66/60/352256660.db2.gz DKSGFXIJSZFFCR-VXGBXAGGSA-N 1 0 299.331 -0.928 10 5 CBBERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226442755 352253066 /nfs/dbraw/zinc/25/30/66/352253066.db2.gz BZPVLQHJYQRZFN-GDPRMGEGSA-N 1 0 270.289 -0.081 10 5 CBBERO Cn1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262267917 352412983 /nfs/dbraw/zinc/41/29/83/352412983.db2.gz MSHJTJTWDRELRV-CBAPKCEASA-N 1 0 268.273 -0.757 10 5 CBBERO Cn1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000262267912 352413489 /nfs/dbraw/zinc/41/34/89/352413489.db2.gz MSHJTJTWDRELRV-APPZFPTMSA-N 1 0 268.273 -0.757 10 5 CBBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262300332 352414398 /nfs/dbraw/zinc/41/43/98/352414398.db2.gz PNPHMRPPRIKDQZ-PRHODGIISA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262346663 352417416 /nfs/dbraw/zinc/41/74/16/352417416.db2.gz UEDXXHJFICZMHZ-CABZTGNLSA-N 1 0 295.295 -0.330 10 5 CBBERO COc1ccc(NC(=O)[C@@H](N)CC(N)=O)cc1[N+](=O)[O-] ZINC000312179501 352774207 /nfs/dbraw/zinc/77/42/07/352774207.db2.gz UODTZSGFSMQVHU-ZETCQYMHSA-N 1 0 282.256 -0.255 10 5 CBBERO CCN1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389391507 353790412 /nfs/dbraw/zinc/79/04/12/353790412.db2.gz JFXJXLMEWOWOGR-CMPLNLGQSA-N 1 0 283.332 -0.164 10 5 CBBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3C[NH2+]C[C@@H]3O)[nH]c2c1 ZINC000420243143 354119447 /nfs/dbraw/zinc/11/94/47/354119447.db2.gz OXXYDSCKCWYQTC-CPCISQLKSA-N 1 0 277.284 -0.115 10 5 CBBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3C[NH2+]C[C@@H]3O)[nH]c2c1 ZINC000420243144 354119768 /nfs/dbraw/zinc/11/97/68/354119768.db2.gz OXXYDSCKCWYQTC-HQJQHLMTSA-N 1 0 277.284 -0.115 10 5 CBBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591685556 355107480 /nfs/dbraw/zinc/10/74/80/355107480.db2.gz JRWDFSMUSMHHAJ-VXNVDRBHSA-N 1 0 253.262 -0.261 10 5 CBBERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591685794 355107651 /nfs/dbraw/zinc/10/76/51/355107651.db2.gz PHWONRYESOTDEZ-HTQZYQBOSA-N 1 0 253.262 -0.261 10 5 CBBERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591685796 355107843 /nfs/dbraw/zinc/10/78/43/355107843.db2.gz PHWONRYESOTDEZ-SFYZADRCSA-N 1 0 253.262 -0.261 10 5 CBBERO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592290202 355146583 /nfs/dbraw/zinc/14/65/83/355146583.db2.gz YQWZJBWJODBIGE-ZCFIWIBFSA-N 1 0 252.230 -0.213 10 5 CBBERO C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO)O1 ZINC000003954191 169926355 /nfs/dbraw/zinc/92/63/55/169926355.db2.gz HRFXSPJVCNUPQZ-AEJSXWLSSA-N 1 0 294.335 -0.336 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])nc1 ZINC000038031636 174026146 /nfs/dbraw/zinc/02/61/46/174026146.db2.gz XTIASUNEPQXMOQ-UHFFFAOYSA-N 1 0 279.300 -0.142 10 5 CBBERO CN(CC(=O)N1CC[NH2+]CC1)c1ccncc1[N+](=O)[O-] ZINC000038031677 174027326 /nfs/dbraw/zinc/02/73/26/174027326.db2.gz XQRRPIVLSIWAHN-UHFFFAOYSA-N 1 0 279.300 -0.142 10 5 CBBERO CNS(=O)(=O)c1ccc(N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000054419512 175559820 /nfs/dbraw/zinc/55/98/20/175559820.db2.gz XYUTXJDJFKTULU-UHFFFAOYSA-N 1 0 288.329 -0.102 10 5 CBBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420243209 420249813 /nfs/dbraw/zinc/24/98/13/420249813.db2.gz CKBYXHZWJVMHNO-WPRPVWTQSA-N 1 0 252.274 0.290 10 5 CBBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH3+])C1 ZINC000050442682 527218109 /nfs/dbraw/zinc/21/81/09/527218109.db2.gz SLBZPGOMBFVVBS-ZETCQYMHSA-N 1 0 265.273 -0.126 10 5 CBBERO CC1=NONC1=C(C[N+]12CN3CN(CN(C3)C1)C2)N=O ZINC000136934442 717150676 /nfs/dbraw/zinc/15/06/76/717150676.db2.gz YFPCNYFXVSYWKG-UHFFFAOYSA-O 1 0 280.312 -0.616 10 5 CBBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[NH2+]C1 ZINC000052093983 351516895 /nfs/dbraw/zinc/51/68/95/351516895.db2.gz MMLNWCBZNACZOE-LURJTMIESA-N 1 0 251.246 -0.138 10 5 CBBERO C[C@@H](O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000085989452 351720384 /nfs/dbraw/zinc/72/03/84/351720384.db2.gz COPVZEAQFUHALB-SCZZXKLOSA-N 1 0 258.278 -0.487 10 5 CBBERO NS(=O)(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289408 351741216 /nfs/dbraw/zinc/74/12/16/351741216.db2.gz NFOGWJQOTTWPOM-UHFFFAOYSA-N 1 0 272.286 -0.374 10 5 CBBERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC000262210843 352410500 /nfs/dbraw/zinc/41/05/00/352410500.db2.gz IVEYKDPAGXVDRA-GXSJLCMTSA-N 1 0 295.295 -0.087 10 5 CBBERO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262243805 352412074 /nfs/dbraw/zinc/41/20/74/352412074.db2.gz LCTZLIRNFLCZHT-ZYHUDNBSSA-N 1 0 279.296 -0.166 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000262260122 352412497 /nfs/dbraw/zinc/41/24/97/352412497.db2.gz MDUZPJPXRDBHJX-KOLCDFICSA-N 1 0 265.269 -0.095 10 5 CBBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262346660 352417279 /nfs/dbraw/zinc/41/72/79/352417279.db2.gz UEDXXHJFICZMHZ-BXKDBHETSA-N 1 0 295.295 -0.330 10 5 CBBERO CN1CC[NH2+]C[C@@H]1c1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000263302198 352442368 /nfs/dbraw/zinc/44/23/68/352442368.db2.gz XFMLPMVBZGICHK-SECBINFHSA-N 1 0 293.287 -0.201 10 5 CBBERO CN1CC[NH2+]C[C@@H]1c1noc(Cn2ccc([N+](=O)[O-])n2)n1 ZINC000263191769 352439297 /nfs/dbraw/zinc/43/92/97/352439297.db2.gz IAFGLDPRTKSZQK-MRVPVSSYSA-N 1 0 293.287 -0.201 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])s1 ZINC000262076885 352406409 /nfs/dbraw/zinc/40/64/09/352406409.db2.gz CDRVSKKSLMOMPO-RQJHMYQMSA-N 1 0 271.298 -0.034 10 5 CBBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])o1 ZINC000262111347 352406885 /nfs/dbraw/zinc/40/68/85/352406885.db2.gz FKKDBVLCPUVFRZ-RNFRBKRXSA-N 1 0 255.230 -0.502 10 5 CBBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262218728 137710896 /nfs/dbraw/zinc/71/08/96/137710896.db2.gz JHZSAFWXUSGBHZ-JOYOIKCWSA-N 1 0 294.311 -0.297 10 5 CBBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000592549297 355161440 /nfs/dbraw/zinc/16/14/40/355161440.db2.gz XZVSQADSWGJVFL-XVKPBYJWSA-N 1 0 268.273 -0.757 10 5 CBBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000592338412 355149038 /nfs/dbraw/zinc/14/90/38/355149038.db2.gz ZYOINYKJCFMUEZ-IMTBSYHQSA-N 1 0 282.256 -0.995 10 5 CBBERO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC000301681866 372965200 /nfs/dbraw/zinc/96/52/00/372965200.db2.gz VKJKPRQQRPGCPW-BDAKNGLRSA-N 1 0 280.288 -0.514 10 5 CBBERO C[NH2+][C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000261808390 656126482 /nfs/dbraw/zinc/12/64/82/656126482.db2.gz SJVZWAUYYOODNV-MRVPVSSYSA-N 1 0 268.273 -0.519 10 5 CBBERO Nc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262221931 656130062 /nfs/dbraw/zinc/13/00/62/656130062.db2.gz JNDMMGXRZVIJEZ-LDYMZIIASA-N 1 0 280.284 -0.513 10 5 CBBERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(N)c([N+](=O)[O-])c1 ZINC000262335790 656131768 /nfs/dbraw/zinc/13/17/68/656131768.db2.gz SPKUYKJLAULOFJ-KCJUWKMLSA-N 1 0 294.311 -0.204 10 5 CBBERO