smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000109350457 349754134 /nfs/dbraw/zinc/75/41/34/349754134.db2.gz DUSIGPAMUWIRPY-UHFFFAOYSA-N 2 1 278.356 0.932 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168631091 350829202 /nfs/dbraw/zinc/82/92/02/350829202.db2.gz VWDVOXROBOQNKQ-KOLCDFICSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168631091 350829204 /nfs/dbraw/zinc/82/92/04/350829204.db2.gz VWDVOXROBOQNKQ-KOLCDFICSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000226874602 352034891 /nfs/dbraw/zinc/03/48/91/352034891.db2.gz GZDFZVCTQONGLA-NQBHXWOUSA-N 2 1 297.359 0.225 20 5 CCBDMP CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592489154 359856676 /nfs/dbraw/zinc/85/66/76/359856676.db2.gz RMTZUSCZXHTCGZ-GHMZBOCLSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592489154 359856682 /nfs/dbraw/zinc/85/66/82/359856682.db2.gz RMTZUSCZXHTCGZ-GHMZBOCLSA-N 2 1 267.333 0.851 20 5 CCBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000351491845 389592795 /nfs/dbraw/zinc/59/27/95/389592795.db2.gz KFLLBMWQPBTBGY-ADEWGFFLSA-N 2 1 265.317 0.460 20 5 CCBDMP C[N@H+](CCC[NH3+])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923290691 616074221 /nfs/dbraw/zinc/07/42/21/616074221.db2.gz JDSFUQJYXWQMAF-LBPRGKRZSA-N 2 1 253.302 0.909 20 5 CCBDMP C[N@@H+](CCC[NH3+])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923290691 616074222 /nfs/dbraw/zinc/07/42/22/616074222.db2.gz JDSFUQJYXWQMAF-LBPRGKRZSA-N 2 1 253.302 0.909 20 5 CCBDMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000903843287 634665512 /nfs/dbraw/zinc/66/55/12/634665512.db2.gz HMTPFRHDCIBINE-AXFHLTTASA-N 2 1 265.317 0.603 20 5 CCBDMP Cc1cc(N2CCC([NH2+]CC[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000905152346 634802402 /nfs/dbraw/zinc/80/24/02/634802402.db2.gz BMWOHEKPVSOYSA-UHFFFAOYSA-N 2 1 279.344 0.929 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C[NH3+] ZINC000923495585 640161094 /nfs/dbraw/zinc/16/10/94/640161094.db2.gz CNBOKHMZXXDQFI-QWRGUYRKSA-N 2 1 267.333 0.708 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C[NH3+] ZINC000923495582 640161475 /nfs/dbraw/zinc/16/14/75/640161475.db2.gz CNBOKHMZXXDQFI-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000886839817 648021939 /nfs/dbraw/zinc/02/19/39/648021939.db2.gz MMFOTAZRWPHODJ-ZDUSSCGKSA-N 2 1 291.355 0.469 20 5 CCBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000886839817 648021942 /nfs/dbraw/zinc/02/19/42/648021942.db2.gz MMFOTAZRWPHODJ-ZDUSSCGKSA-N 2 1 291.355 0.469 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246577692 807300240 /nfs/dbraw/zinc/30/02/40/807300240.db2.gz CUFCMEIGGCJHSG-VHRBIJSZSA-N 2 1 279.340 0.777 20 5 CCBDMP [NH3+]C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246585325 807306964 /nfs/dbraw/zinc/30/69/64/807306964.db2.gz NLHKUJGYHSMSSS-FPMFFAJLSA-N 2 1 277.324 0.313 20 5 CCBDMP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000823806341 821538731 /nfs/dbraw/zinc/53/87/31/821538731.db2.gz SDGNCVGOJPALJX-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000823806341 821538734 /nfs/dbraw/zinc/53/87/34/821538734.db2.gz SDGNCVGOJPALJX-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000823806341 821538735 /nfs/dbraw/zinc/53/87/35/821538735.db2.gz SDGNCVGOJPALJX-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001168977435 836075227 /nfs/dbraw/zinc/07/52/27/836075227.db2.gz JUBZVTDWAXGYRM-DGCLKSJQSA-N 2 1 271.361 0.478 20 5 CCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131789090 350288098 /nfs/dbraw/zinc/28/80/98/350288098.db2.gz KKXAEKVKXGRBTD-ZJUUUORDSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131789090 350288103 /nfs/dbraw/zinc/28/81/03/350288103.db2.gz KKXAEKVKXGRBTD-ZJUUUORDSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000430919661 389834770 /nfs/dbraw/zinc/83/47/70/389834770.db2.gz RIPAFJFVXDZNQV-GXSJLCMTSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000430919661 389834773 /nfs/dbraw/zinc/83/47/73/389834773.db2.gz RIPAFJFVXDZNQV-GXSJLCMTSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000430919666 389835088 /nfs/dbraw/zinc/83/50/88/389835088.db2.gz RIPAFJFVXDZNQV-ONGXEEELSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000430919666 389835090 /nfs/dbraw/zinc/83/50/90/389835090.db2.gz RIPAFJFVXDZNQV-ONGXEEELSA-N 2 1 253.306 0.460 20 5 CCBDMP C[NH2+]C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430937774 389837568 /nfs/dbraw/zinc/83/75/68/389837568.db2.gz FHLJLKFCTXPUJI-SNVBAGLBSA-N 2 1 253.306 0.333 20 5 CCBDMP C[NH2+]C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430937774 389837569 /nfs/dbraw/zinc/83/75/69/389837569.db2.gz FHLJLKFCTXPUJI-SNVBAGLBSA-N 2 1 253.306 0.333 20 5 CCBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420368736 389993108 /nfs/dbraw/zinc/99/31/08/389993108.db2.gz NZTFJHSSMKSLCU-SCVCMEIPSA-N 2 1 267.333 0.767 20 5 CCBDMP C[NH2+]CCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923379168 616943318 /nfs/dbraw/zinc/94/33/18/616943318.db2.gz YGNKEVVLUMXKRZ-ZDUSSCGKSA-N 2 1 297.355 0.876 20 5 CCBDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923379168 616943320 /nfs/dbraw/zinc/94/33/20/616943320.db2.gz YGNKEVVLUMXKRZ-ZDUSSCGKSA-N 2 1 297.355 0.876 20 5 CCBDMP [NH3+]CC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923483435 640162185 /nfs/dbraw/zinc/16/21/85/640162185.db2.gz OOXQGIFOZJSTPV-JTQLQIEISA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923490368 640163524 /nfs/dbraw/zinc/16/35/24/640163524.db2.gz NDKYDOXWMYTCQD-NXEZZACHSA-N 2 1 267.333 0.745 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589436 808264386 /nfs/dbraw/zinc/26/43/86/808264386.db2.gz OSLAVKMIJIFMCD-CQSZACIVSA-N 2 1 293.367 0.966 20 5 CCBDMP C[NH2+]CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000430965167 389841808 /nfs/dbraw/zinc/84/18/08/389841808.db2.gz HTAAEQJIKKDYIQ-UHFFFAOYSA-N 2 1 267.333 0.760 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246499680 807266433 /nfs/dbraw/zinc/26/64/33/807266433.db2.gz UMXVPEBEKVFDSM-AAEUAGOBSA-N 2 1 278.356 0.677 20 5 CCBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036518 836110098 /nfs/dbraw/zinc/11/00/98/836110098.db2.gz GIAAVTQZLIVKQL-FVCCEPFGSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036518 836110105 /nfs/dbraw/zinc/11/01/05/836110105.db2.gz GIAAVTQZLIVKQL-FVCCEPFGSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036518 836110108 /nfs/dbraw/zinc/11/01/08/836110108.db2.gz GIAAVTQZLIVKQL-FVCCEPFGSA-N 2 1 253.346 0.925 20 5 CCBDMP CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592984980 360007925 /nfs/dbraw/zinc/00/79/25/360007925.db2.gz YFXARLQUSWSWNH-CMPLNLGQSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592984980 360007929 /nfs/dbraw/zinc/00/79/29/360007929.db2.gz YFXARLQUSWSWNH-CMPLNLGQSA-N 2 1 267.333 0.851 20 5 CCBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596424805 360889640 /nfs/dbraw/zinc/88/96/40/360889640.db2.gz LVRSHPGLNPSCFE-UHFFFAOYSA-N 2 1 296.375 0.289 20 5 CCBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596424805 360889650 /nfs/dbraw/zinc/88/96/50/360889650.db2.gz LVRSHPGLNPSCFE-UHFFFAOYSA-N 2 1 296.375 0.289 20 5 CCBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064131 389872711 /nfs/dbraw/zinc/87/27/11/389872711.db2.gz BWRBLDFUQHTALE-LLVKDONJSA-N 2 1 267.333 0.852 20 5 CCBDMP C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616485 641116497 /nfs/dbraw/zinc/11/64/97/641116497.db2.gz PONBMAWXZUYBBY-YGRLFVJLSA-N 2 1 294.355 0.894 20 5 CCBDMP COc1nc(C)c([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157096881 801300479 /nfs/dbraw/zinc/30/04/79/801300479.db2.gz OHPVYVCLURXFAL-UHFFFAOYSA-N 2 1 297.319 0.377 20 5 CCBDMP Nc1cc([N+](=O)[O-])cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160520262 801960522 /nfs/dbraw/zinc/96/05/22/801960522.db2.gz PQPYYDPLGVNGFW-ZDUSSCGKSA-N 2 1 292.343 0.407 20 5 CCBDMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246153270 807170195 /nfs/dbraw/zinc/17/01/95/807170195.db2.gz QNKLYJAKBZQCIT-TUAOUCFPSA-N 2 1 287.360 0.692 20 5 CCBDMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246400791 807242245 /nfs/dbraw/zinc/24/22/45/807242245.db2.gz HXTCCKMPLHSQBY-DCAQKATOSA-N 2 1 273.333 0.302 20 5 CCBDMP [NH3+]CCC[NH2+]CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246458088 807255087 /nfs/dbraw/zinc/25/50/87/807255087.db2.gz SKAFDIHKDQAQAW-AWEZNQCLSA-N 3 1 292.383 0.980 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006489 836094752 /nfs/dbraw/zinc/09/47/52/836094752.db2.gz YCUIQHLWSHTTKQ-NEPJUHHUSA-N 2 1 259.350 0.336 20 5 CCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131788678 350287722 /nfs/dbraw/zinc/28/77/22/350287722.db2.gz KKXAEKVKXGRBTD-NXEZZACHSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131788678 350287725 /nfs/dbraw/zinc/28/77/25/350287725.db2.gz KKXAEKVKXGRBTD-NXEZZACHSA-N 2 1 292.339 0.863 20 5 CCBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000596425209 360889805 /nfs/dbraw/zinc/88/98/05/360889805.db2.gz QJEKXCIVQFTZFV-UHFFFAOYSA-N 2 1 281.360 0.707 20 5 CCBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccncc1[N+](=O)[O-] ZINC000596425209 360889812 /nfs/dbraw/zinc/88/98/12/360889812.db2.gz QJEKXCIVQFTZFV-UHFFFAOYSA-N 2 1 281.360 0.707 20 5 CCBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342108204 130265839 /nfs/dbraw/zinc/26/58/39/130265839.db2.gz QTOQPAGZANGTHG-KGYLQXTDSA-N 2 1 279.344 0.851 20 5 CCBDMP Cn1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000931479810 615872714 /nfs/dbraw/zinc/87/27/14/615872714.db2.gz CJDJCACRVSSFKB-UHFFFAOYSA-N 2 1 297.359 0.217 20 5 CCBDMP C[NH+](C)CCOc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905192569 615910107 /nfs/dbraw/zinc/91/01/07/615910107.db2.gz VYLHGUDNNCVKDV-UHFFFAOYSA-N 2 1 268.317 0.388 20 5 CCBDMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246560654 807288664 /nfs/dbraw/zinc/28/86/64/807288664.db2.gz RYBIGYSGQJJLCR-MGPQQGTHSA-N 2 1 277.324 0.456 20 5 CCBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246560654 807288668 /nfs/dbraw/zinc/28/86/68/807288668.db2.gz RYBIGYSGQJJLCR-MGPQQGTHSA-N 2 1 277.324 0.456 20 5 CCBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578028 807299655 /nfs/dbraw/zinc/29/96/55/807299655.db2.gz DSYMFJHTBXRCEZ-JKOKRWQUSA-N 2 1 279.340 0.777 20 5 CCBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578028 807299659 /nfs/dbraw/zinc/29/96/59/807299659.db2.gz DSYMFJHTBXRCEZ-JKOKRWQUSA-N 2 1 279.340 0.777 20 5 CCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978386 836076475 /nfs/dbraw/zinc/07/64/75/836076475.db2.gz RNZNTTLFBOQCBC-GMTAPVOTSA-N 2 1 268.317 0.363 20 5 CCBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038640 836112693 /nfs/dbraw/zinc/11/26/93/836112693.db2.gz JQEUSDNZRMMQPW-ZIAGYGMSSA-N 2 1 284.404 0.611 20 5 CCBDMP CN1CC[C@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999336 920554616 /nfs/dbraw/zinc/55/46/16/920554616.db2.gz FGTHIZHZNKJFAB-KGLIPLIRSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999336 920554622 /nfs/dbraw/zinc/55/46/22/920554622.db2.gz FGTHIZHZNKJFAB-KGLIPLIRSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999336 920554637 /nfs/dbraw/zinc/55/46/37/920554637.db2.gz FGTHIZHZNKJFAB-KGLIPLIRSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000420349480 389987905 /nfs/dbraw/zinc/98/79/05/389987905.db2.gz CZTVYCFVKJPTRL-NSHDSACASA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000420349480 389987907 /nfs/dbraw/zinc/98/79/07/389987907.db2.gz CZTVYCFVKJPTRL-NSHDSACASA-N 2 1 269.301 0.225 20 5 CCBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420377337 389994245 /nfs/dbraw/zinc/99/42/45/389994245.db2.gz WDXPTFNGGCOGFZ-JFGNBEQYSA-N 2 1 267.333 0.767 20 5 CCBDMP C[C@H](C[N+](C)(C)C)OCCCN1CC[NH+](C)CC1 ZINC001206595844 803273826 /nfs/dbraw/zinc/27/38/26/803273826.db2.gz JHOUYRUWAUEZJO-CQSZACIVSA-N 2 1 258.430 0.735 20 5 CCBDMP [NH3+]CCCC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005383 836096035 /nfs/dbraw/zinc/09/60/35/836096035.db2.gz TXWNFFFRNAATPW-KBPBESRZSA-N 2 1 284.404 0.788 20 5 CCBDMP [NH3+]C[C@]1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CN2CCC1CC2 ZINC001168987812 836102126 /nfs/dbraw/zinc/10/21/26/836102126.db2.gz KMBTXZPMIUEZKO-BNOWGMLFSA-N 2 1 282.388 0.445 20 5 CCBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038639 836112395 /nfs/dbraw/zinc/11/23/95/836112395.db2.gz JQEUSDNZRMMQPW-UONOGXRCSA-N 2 1 284.404 0.611 20 5 CCBDMP C[N@H+](CCOCC[NH3+])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000600733727 362048563 /nfs/dbraw/zinc/04/85/63/362048563.db2.gz BXDSEXOFYULBMV-UHFFFAOYSA-N 2 1 296.327 0.101 20 5 CCBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000600733727 362048565 /nfs/dbraw/zinc/04/85/65/362048565.db2.gz BXDSEXOFYULBMV-UHFFFAOYSA-N 2 1 296.327 0.101 20 5 CCBDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923413841 614550679 /nfs/dbraw/zinc/55/06/79/614550679.db2.gz IOYQFXXITDYMMZ-LBPRGKRZSA-N 2 1 297.359 0.226 20 5 CCBDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923413841 614550682 /nfs/dbraw/zinc/55/06/82/614550682.db2.gz IOYQFXXITDYMMZ-LBPRGKRZSA-N 2 1 297.359 0.226 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877366903 616350437 /nfs/dbraw/zinc/35/04/37/616350437.db2.gz YHJBIKRNQYUYLR-GCZXYKMCSA-N 2 1 295.343 0.151 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877366903 616350442 /nfs/dbraw/zinc/35/04/42/616350442.db2.gz YHJBIKRNQYUYLR-GCZXYKMCSA-N 2 1 295.343 0.151 20 5 CCBDMP O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000886839816 648022762 /nfs/dbraw/zinc/02/27/62/648022762.db2.gz MMFOTAZRWPHODJ-CYBMUJFWSA-N 2 1 291.355 0.469 20 5 CCBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000886839816 648022763 /nfs/dbraw/zinc/02/27/63/648022763.db2.gz MMFOTAZRWPHODJ-CYBMUJFWSA-N 2 1 291.355 0.469 20 5 CCBDMP C[N@@H+]1CCc2c(N[C@@H]3COC[C@@H]3[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001162925786 802439478 /nfs/dbraw/zinc/43/94/78/802439478.db2.gz BBADEZJMPPMTPO-WCQYABFASA-N 2 1 292.339 0.721 20 5 CCBDMP C[N@H+]1CCc2c(N[C@@H]3COC[C@@H]3[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001162925786 802439483 /nfs/dbraw/zinc/43/94/83/802439483.db2.gz BBADEZJMPPMTPO-WCQYABFASA-N 2 1 292.339 0.721 20 5 CCBDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168972501 836090200 /nfs/dbraw/zinc/09/02/00/836090200.db2.gz NERFPVHGACNAQC-SRVKXCTJSA-N 2 1 287.360 0.692 20 5 CCBDMP C[N@@H+]1CCc2c(-n3nncc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001169312079 836191427 /nfs/dbraw/zinc/19/14/27/836191427.db2.gz LERDQKIWZUYQRH-UHFFFAOYSA-N 2 1 288.311 0.622 20 5 CCBDMP C[N@H+]1CCc2c(-n3nncc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001169312079 836191430 /nfs/dbraw/zinc/19/14/30/836191430.db2.gz LERDQKIWZUYQRH-UHFFFAOYSA-N 2 1 288.311 0.622 20 5 CCBDMP C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001156581150 836615912 /nfs/dbraw/zinc/61/59/12/836615912.db2.gz CGEQJEALQLZKCG-VIFPVBQESA-N 2 1 278.316 0.188 20 5 CCBDMP C[N@H+]1CCC[C@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224817337 895491987 /nfs/dbraw/zinc/49/19/87/895491987.db2.gz NAUMVOMXRHRDGL-NWDGAFQWSA-N 2 1 259.370 0.081 20 5 CCBDMP CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000592489156 359856100 /nfs/dbraw/zinc/85/61/00/359856100.db2.gz RMTZUSCZXHTCGZ-MNOVXSKESA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000592489156 359856107 /nfs/dbraw/zinc/85/61/07/359856107.db2.gz RMTZUSCZXHTCGZ-MNOVXSKESA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859751 389701240 /nfs/dbraw/zinc/70/12/40/389701240.db2.gz DKCDNKYIUVBSEK-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357074678 144057385 /nfs/dbraw/zinc/05/73/85/144057385.db2.gz NCRRLVKYBUVMMW-MNOVXSKESA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357074678 144057386 /nfs/dbraw/zinc/05/73/86/144057386.db2.gz NCRRLVKYBUVMMW-MNOVXSKESA-N 2 1 265.317 0.333 20 5 CCBDMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000903843151 634665753 /nfs/dbraw/zinc/66/57/53/634665753.db2.gz DCHIOHUDFJRISD-DCAQKATOSA-N 2 1 265.317 0.603 20 5 CCBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894014 800001931 /nfs/dbraw/zinc/00/19/31/800001931.db2.gz BLLIIONZFYDMKR-AAEUAGOBSA-N 2 1 297.359 0.084 20 5 CCBDMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247506463 807465446 /nfs/dbraw/zinc/46/54/46/807465446.db2.gz CARMHOLCDIZNSI-ZETCQYMHSA-N 2 1 296.262 0.918 20 5 CCBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000415056886 282335365 /nfs/dbraw/zinc/33/53/65/282335365.db2.gz OYVUBGXOVNZYCM-FVOPLDGLSA-N 2 1 265.313 0.859 20 5 CCBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000415056886 282335366 /nfs/dbraw/zinc/33/53/66/282335366.db2.gz OYVUBGXOVNZYCM-FVOPLDGLSA-N 2 1 265.313 0.859 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745530 351053044 /nfs/dbraw/zinc/05/30/44/351053044.db2.gz WGTNBIHIKOYDBN-YPMHNXCESA-N 2 1 297.359 0.036 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745530 351053047 /nfs/dbraw/zinc/05/30/47/351053047.db2.gz WGTNBIHIKOYDBN-YPMHNXCESA-N 2 1 297.359 0.036 20 5 CCBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222632 358835440 /nfs/dbraw/zinc/83/54/40/358835440.db2.gz UPJCIDPJMUEWRP-UWVGGRQHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222632 358835442 /nfs/dbraw/zinc/83/54/42/358835442.db2.gz UPJCIDPJMUEWRP-UWVGGRQHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000071148680 388956958 /nfs/dbraw/zinc/95/69/58/388956958.db2.gz NACWGTOZEGXVKY-UHFFFAOYSA-N 2 1 278.356 0.932 20 5 CCBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000071148680 388956963 /nfs/dbraw/zinc/95/69/63/388956963.db2.gz NACWGTOZEGXVKY-UHFFFAOYSA-N 2 1 278.356 0.932 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862759 389702009 /nfs/dbraw/zinc/70/20/09/389702009.db2.gz QHYBHSXWMCXQDN-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572171 389808494 /nfs/dbraw/zinc/80/84/94/389808494.db2.gz NMOBIHZQKSMOQB-GHMZBOCLSA-N 2 1 267.333 0.851 20 5 CCBDMP [NH3+]CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000420315748 389982854 /nfs/dbraw/zinc/98/28/54/389982854.db2.gz LHGAFSXAKUDADQ-SNVBAGLBSA-N 2 1 265.317 0.825 20 5 CCBDMP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923490369 640163931 /nfs/dbraw/zinc/16/39/31/640163931.db2.gz NDKYDOXWMYTCQD-UWVGGRQHSA-N 2 1 267.333 0.745 20 5 CCBDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000872153189 646215138 /nfs/dbraw/zinc/21/51/38/646215138.db2.gz AULVXAXVAKIWFM-CMPLNLGQSA-N 2 1 265.317 0.333 20 5 CCBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000872153189 646215141 /nfs/dbraw/zinc/21/51/41/646215141.db2.gz AULVXAXVAKIWFM-CMPLNLGQSA-N 2 1 265.317 0.333 20 5 CCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978387 836077220 /nfs/dbraw/zinc/07/72/20/836077220.db2.gz RNZNTTLFBOQCBC-HBNTYKKESA-N 2 1 268.317 0.363 20 5 CCBDMP [NH3+]C[C@]1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CN2CCC1CC2 ZINC001168987817 836102649 /nfs/dbraw/zinc/10/26/49/836102649.db2.gz KMBTXZPMIUEZKO-YUTCNCBUSA-N 2 1 282.388 0.445 20 5 CCBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038638 836112330 /nfs/dbraw/zinc/11/23/30/836112330.db2.gz JQEUSDNZRMMQPW-KGLIPLIRSA-N 2 1 284.404 0.611 20 5 CCBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246543350 839948523 /nfs/dbraw/zinc/94/85/23/839948523.db2.gz MXYHMPVCYVUKII-AVGNSLFASA-N 2 1 271.361 0.608 20 5 CCBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352519369 389824066 /nfs/dbraw/zinc/82/40/66/389824066.db2.gz OEAOGVUQZZGTTF-NSHDSACASA-N 2 1 267.333 0.995 20 5 CCBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359304 389991189 /nfs/dbraw/zinc/99/11/89/389991189.db2.gz VOHXSRLZHKGHSZ-BXKDBHETSA-N 2 1 253.302 0.907 20 5 CCBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359304 389991191 /nfs/dbraw/zinc/99/11/91/389991191.db2.gz VOHXSRLZHKGHSZ-BXKDBHETSA-N 2 1 253.302 0.907 20 5 CCBDMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000923479682 640158427 /nfs/dbraw/zinc/15/84/27/640158427.db2.gz RQTXAQCJOXNTMK-SECBINFHSA-N 2 1 253.306 0.499 20 5 CCBDMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001155374175 800961736 /nfs/dbraw/zinc/96/17/36/800961736.db2.gz XKXXWRPQCWLESP-GFCCVEGCSA-N 2 1 291.355 0.849 20 5 CCBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157624157 801437096 /nfs/dbraw/zinc/43/70/96/801437096.db2.gz RNJPOYLRSHYEFB-HEKLCECKSA-N 2 1 289.339 0.930 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246499681 807266425 /nfs/dbraw/zinc/26/64/25/807266425.db2.gz UMXVPEBEKVFDSM-DGCLKSJQSA-N 2 1 278.356 0.677 20 5 CCBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977822 836074361 /nfs/dbraw/zinc/07/43/61/836074361.db2.gz MJGYCELQZGHFEU-CHWSQXEVSA-N 2 1 298.387 0.186 20 5 CCBDMP C[NH+]1CCN(C2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042769 836114138 /nfs/dbraw/zinc/11/41/38/836114138.db2.gz FKFKVRVIJXGUQW-CHWSQXEVSA-N 2 1 282.388 0.363 20 5 CCBDMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603428649 363127559 /nfs/dbraw/zinc/12/75/59/363127559.db2.gz KVTSJLZKUFAVDY-ZMLRMANQSA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603428649 363127563 /nfs/dbraw/zinc/12/75/63/363127563.db2.gz KVTSJLZKUFAVDY-ZMLRMANQSA-N 2 1 279.344 0.888 20 5 CCBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000342136847 355727493 /nfs/dbraw/zinc/72/74/93/355727493.db2.gz MKPADGAERQVWSR-IJLUTSLNSA-N 2 1 279.344 0.851 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614866 389812808 /nfs/dbraw/zinc/81/28/08/389812808.db2.gz AGXKGHMNVKMAGQ-LLVKDONJSA-N 2 1 267.333 0.723 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614866 389812810 /nfs/dbraw/zinc/81/28/10/389812810.db2.gz AGXKGHMNVKMAGQ-LLVKDONJSA-N 2 1 267.333 0.723 20 5 CCBDMP C[C@H]([NH3+])C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000430930416 389836509 /nfs/dbraw/zinc/83/65/09/389836509.db2.gz ANPXUKJNYKUBLR-VIFPVBQESA-N 2 1 267.333 0.888 20 5 CCBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359306 389991477 /nfs/dbraw/zinc/99/14/77/389991477.db2.gz VOHXSRLZHKGHSZ-CABZTGNLSA-N 2 1 253.302 0.907 20 5 CCBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359306 389991478 /nfs/dbraw/zinc/99/14/78/389991478.db2.gz VOHXSRLZHKGHSZ-CABZTGNLSA-N 2 1 253.302 0.907 20 5 CCBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420368731 389993241 /nfs/dbraw/zinc/99/32/41/389993241.db2.gz NZTFJHSSMKSLCU-FOGDFJRCSA-N 2 1 267.333 0.767 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420368911 389993259 /nfs/dbraw/zinc/99/32/59/389993259.db2.gz KRGTUQFKBSVYAT-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420368911 389993260 /nfs/dbraw/zinc/99/32/60/389993260.db2.gz KRGTUQFKBSVYAT-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420369915 389993805 /nfs/dbraw/zinc/99/38/05/389993805.db2.gz VGEXBRDDVKRHSL-SNVBAGLBSA-N 2 1 255.322 0.754 20 5 CCBDMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970633 836090315 /nfs/dbraw/zinc/09/03/15/836090315.db2.gz HXTCCKMPLHSQBY-GARJFASQSA-N 2 1 273.333 0.302 20 5 CCBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246543355 839948502 /nfs/dbraw/zinc/94/85/02/839948502.db2.gz MXYHMPVCYVUKII-UPJWGTAASA-N 2 1 271.361 0.608 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568652 138000946 /nfs/dbraw/zinc/00/09/46/138000946.db2.gz KVXHBHGLZJBCBA-LBPRGKRZSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360568652 138000947 /nfs/dbraw/zinc/00/09/47/138000947.db2.gz KVXHBHGLZJBCBA-LBPRGKRZSA-N 2 1 265.317 0.477 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430623326 389813836 /nfs/dbraw/zinc/81/38/36/389813836.db2.gz MRSKRZZYPSUDBO-NSHDSACASA-N 2 1 267.333 0.723 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430623326 389813838 /nfs/dbraw/zinc/81/38/38/389813838.db2.gz MRSKRZZYPSUDBO-NSHDSACASA-N 2 1 267.333 0.723 20 5 CCBDMP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000430919664 389834786 /nfs/dbraw/zinc/83/47/86/389834786.db2.gz RIPAFJFVXDZNQV-MWLCHTKSSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000430919664 389834790 /nfs/dbraw/zinc/83/47/90/389834790.db2.gz RIPAFJFVXDZNQV-MWLCHTKSSA-N 2 1 253.306 0.460 20 5 CCBDMP CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1C[NH2+]C1 ZINC001166977939 803006303 /nfs/dbraw/zinc/00/63/03/803006303.db2.gz FHBBMLZYFZFTEI-SNAWJCMRSA-N 2 1 277.328 0.930 20 5 CCBDMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001155362527 822134595 /nfs/dbraw/zinc/13/45/95/822134595.db2.gz GJFJDGDNQAQAKU-ZDUSSCGKSA-N 2 1 291.355 0.849 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358497518 232113183 /nfs/dbraw/zinc/11/31/83/232113183.db2.gz BKWHIXBRWRWAGM-UHFFFAOYSA-N 2 1 279.344 0.867 20 5 CCBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000158156040 350654535 /nfs/dbraw/zinc/65/45/35/350654535.db2.gz GZDFZVCTQONGLA-MDZLAQPJSA-N 2 1 297.359 0.225 20 5 CCBDMP C[NH+](C)CCOc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905073590 615910917 /nfs/dbraw/zinc/91/09/17/615910917.db2.gz DZBXUAWKSXRDQQ-UHFFFAOYSA-N 2 1 267.329 0.993 20 5 CCBDMP CN(CC[N+](=O)[O-])CC[N@@H+](C)C1CCN(C)CC1 ZINC000930113283 648824198 /nfs/dbraw/zinc/82/41/98/648824198.db2.gz KDOOLUCDMYHDLX-UHFFFAOYSA-N 2 1 258.366 0.221 20 5 CCBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264304 799711533 /nfs/dbraw/zinc/71/15/33/799711533.db2.gz BLLIIONZFYDMKR-WCQYABFASA-N 2 1 297.359 0.084 20 5 CCBDMP [NH3+]C[C@]1(Nc2cccc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160509836 801953430 /nfs/dbraw/zinc/95/34/30/801953430.db2.gz BFWLTVKVATVOGO-ZDUSSCGKSA-N 2 1 277.328 0.825 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246499682 807266194 /nfs/dbraw/zinc/26/61/94/807266194.db2.gz UMXVPEBEKVFDSM-WCQYABFASA-N 2 1 278.356 0.677 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602789397 362801411 /nfs/dbraw/zinc/80/14/11/362801411.db2.gz ZVQJGFSFKKFUBQ-LBPRGKRZSA-N 2 1 281.360 0.983 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000602789397 362801418 /nfs/dbraw/zinc/80/14/18/362801418.db2.gz ZVQJGFSFKKFUBQ-LBPRGKRZSA-N 2 1 281.360 0.983 20 5 CCBDMP CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000592489159 359856321 /nfs/dbraw/zinc/85/63/21/359856321.db2.gz RMTZUSCZXHTCGZ-QWRGUYRKSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000592489159 359856325 /nfs/dbraw/zinc/85/63/25/359856325.db2.gz RMTZUSCZXHTCGZ-QWRGUYRKSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859749 389700650 /nfs/dbraw/zinc/70/06/50/389700650.db2.gz DKCDNKYIUVBSEK-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1CC[NH3+] ZINC000903499176 634582806 /nfs/dbraw/zinc/58/28/06/634582806.db2.gz ILJXLCCDCDGMDX-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C[NH3+] ZINC000923499382 640169885 /nfs/dbraw/zinc/16/98/85/640169885.db2.gz KDACMRKIAGRTAW-QWRGUYRKSA-N 2 1 267.333 0.708 20 5 CCBDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])n1 ZINC000883424015 647523660 /nfs/dbraw/zinc/52/36/60/647523660.db2.gz BIZIVGHLZOJFFS-UHFFFAOYSA-N 2 1 279.344 0.904 20 5 CCBDMP [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])ccn2)C[NH+]2CCC1CC2 ZINC001160508711 801953808 /nfs/dbraw/zinc/95/38/08/801953808.db2.gz JFUAUDBTGDXEAO-CYBMUJFWSA-N 2 1 277.328 0.825 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612659 807324045 /nfs/dbraw/zinc/32/40/45/807324045.db2.gz BUDLLLQITIONPQ-RFGFWPKPSA-N 2 1 282.388 0.458 20 5 CCBDMP COc1nc(NC(=[NH2+])NCCCC[NH3+])nc(C)c1[N+](=O)[O-] ZINC001167877598 812372962 /nfs/dbraw/zinc/37/29/62/812372962.db2.gz GJEAJMXCLUKDSM-UHFFFAOYSA-N 2 1 297.319 0.377 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602611967 362712827 /nfs/dbraw/zinc/71/28/27/362712827.db2.gz OEOYYRKLBXQXES-CQSZACIVSA-N 2 1 279.340 0.794 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602611967 362712831 /nfs/dbraw/zinc/71/28/31/362712831.db2.gz OEOYYRKLBXQXES-CQSZACIVSA-N 2 1 279.340 0.794 20 5 CCBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812655 359002217 /nfs/dbraw/zinc/00/22/17/359002217.db2.gz AFUPYLQZIPQJNI-VHSXEESVSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812655 359002218 /nfs/dbraw/zinc/00/22/18/359002218.db2.gz AFUPYLQZIPQJNI-VHSXEESVSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862757 389701824 /nfs/dbraw/zinc/70/18/24/389701824.db2.gz QHYBHSXWMCXQDN-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000420296767 389980052 /nfs/dbraw/zinc/98/00/52/389980052.db2.gz DUGGGIWKJIKJAT-UHFFFAOYSA-N 2 1 290.367 0.858 20 5 CCBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000420296767 389980053 /nfs/dbraw/zinc/98/00/53/389980053.db2.gz DUGGGIWKJIKJAT-UHFFFAOYSA-N 2 1 290.367 0.858 20 5 CCBDMP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000931438085 616332933 /nfs/dbraw/zinc/33/29/33/616332933.db2.gz ZKPXMXJLMDPSRW-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000931438085 616332936 /nfs/dbraw/zinc/33/29/36/616332936.db2.gz ZKPXMXJLMDPSRW-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000931438085 616332941 /nfs/dbraw/zinc/33/29/41/616332941.db2.gz ZKPXMXJLMDPSRW-NEPJUHHUSA-N 2 1 279.344 0.675 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283921 616998279 /nfs/dbraw/zinc/99/82/79/616998279.db2.gz ZIYGKXIPTREILK-DGCLKSJQSA-N 2 1 297.359 0.084 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283921 616998286 /nfs/dbraw/zinc/99/82/86/616998286.db2.gz ZIYGKXIPTREILK-DGCLKSJQSA-N 2 1 297.359 0.084 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C[NH3+] ZINC000923499377 640169815 /nfs/dbraw/zinc/16/98/15/640169815.db2.gz KDACMRKIAGRTAW-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575630 807298553 /nfs/dbraw/zinc/29/85/53/807298553.db2.gz DSYMFJHTBXRCEZ-VHRBIJSZSA-N 2 1 279.340 0.777 20 5 CCBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575630 807298559 /nfs/dbraw/zinc/29/85/59/807298559.db2.gz DSYMFJHTBXRCEZ-VHRBIJSZSA-N 2 1 279.340 0.777 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322397 349435882 /nfs/dbraw/zinc/43/58/82/349435882.db2.gz IDLXMVIZAPGEGW-GHMZBOCLSA-N 2 1 265.317 0.251 20 5 CCBDMP C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443649 389686692 /nfs/dbraw/zinc/68/66/92/389686692.db2.gz LXWFEASULJXOOZ-QWRGUYRKSA-N 2 1 267.333 0.864 20 5 CCBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000420349479 389987987 /nfs/dbraw/zinc/98/79/87/389987987.db2.gz CZTVYCFVKJPTRL-LLVKDONJSA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000420349479 389987989 /nfs/dbraw/zinc/98/79/89/389987989.db2.gz CZTVYCFVKJPTRL-LLVKDONJSA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000420362877 389991776 /nfs/dbraw/zinc/99/17/76/389991776.db2.gz ZORSGBDMHCTMEA-NSHDSACASA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000420362877 389991778 /nfs/dbraw/zinc/99/17/78/389991778.db2.gz ZORSGBDMHCTMEA-NSHDSACASA-N 2 1 269.301 0.225 20 5 CCBDMP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000420398579 389996545 /nfs/dbraw/zinc/99/65/45/389996545.db2.gz GZCJRNMYECDOOB-QWRGUYRKSA-N 2 1 267.333 0.708 20 5 CCBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000776278859 582066565 /nfs/dbraw/zinc/06/65/65/582066565.db2.gz WIUJBLKKJJCBOW-YRGRVCCFSA-N 2 1 277.324 0.779 20 5 CCBDMP CC[NH+]1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cn2)CC1 ZINC000905047747 615162770 /nfs/dbraw/zinc/16/27/70/615162770.db2.gz ABUUCNMLKBDFIV-UHFFFAOYSA-N 2 1 293.371 0.590 20 5 CCBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246558509 807287662 /nfs/dbraw/zinc/28/76/62/807287662.db2.gz LODRUYGETQGNFZ-RWMBFGLXSA-N 2 1 271.361 0.608 20 5 CCBDMP [NH2+]=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])cn1 ZINC001167879164 812386323 /nfs/dbraw/zinc/38/63/23/812386323.db2.gz HCOJGOAAJVWIPA-UHFFFAOYSA-N 2 1 253.266 0.060 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573960 389808962 /nfs/dbraw/zinc/80/89/62/389808962.db2.gz NIYQPBYHVADECB-QWRGUYRKSA-N 2 1 267.333 0.851 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357071482 144056570 /nfs/dbraw/zinc/05/65/70/144056570.db2.gz JQVNEEOZSBLVAK-MNOVXSKESA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357071482 144056572 /nfs/dbraw/zinc/05/65/72/144056572.db2.gz JQVNEEOZSBLVAK-MNOVXSKESA-N 2 1 265.317 0.333 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000581434252 336077057 /nfs/dbraw/zinc/07/70/57/336077057.db2.gz OUYIUFFGKPTFDV-UHFFFAOYSA-N 2 1 267.333 0.889 20 5 CCBDMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281839 640067612 /nfs/dbraw/zinc/06/76/12/640067612.db2.gz RBKLDSZMEJYRKX-GXFFZTMASA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281839 640067615 /nfs/dbraw/zinc/06/76/15/640067615.db2.gz RBKLDSZMEJYRKX-GXFFZTMASA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246558508 807287651 /nfs/dbraw/zinc/28/76/51/807287651.db2.gz LODRUYGETQGNFZ-JHJVBQTASA-N 2 1 271.361 0.608 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246577691 807299980 /nfs/dbraw/zinc/29/99/80/807299980.db2.gz CUFCMEIGGCJHSG-SCDSUCTJSA-N 2 1 279.340 0.777 20 5 CCBDMP COc1ncc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878436 812380178 /nfs/dbraw/zinc/38/01/78/812380178.db2.gz SDYZVBHYKNZBEN-UHFFFAOYSA-N 2 1 283.292 0.069 20 5 CCBDMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603428648 363126987 /nfs/dbraw/zinc/12/69/87/363126987.db2.gz KVTSJLZKUFAVDY-WCQGTBRESA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603428648 363126992 /nfs/dbraw/zinc/12/69/92/363126992.db2.gz KVTSJLZKUFAVDY-WCQGTBRESA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603428646 363127356 /nfs/dbraw/zinc/12/73/56/363127356.db2.gz KVTSJLZKUFAVDY-DLOVCJGASA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])n1 ZINC000603428646 363127360 /nfs/dbraw/zinc/12/73/60/363127360.db2.gz KVTSJLZKUFAVDY-DLOVCJGASA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430110 363128250 /nfs/dbraw/zinc/12/82/50/363128250.db2.gz SKFPPEXBRMQIOS-SNVBAGLBSA-N 2 1 267.333 0.889 20 5 CCBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812654 359002129 /nfs/dbraw/zinc/00/21/29/359002129.db2.gz AFUPYLQZIPQJNI-UWVGGRQHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812654 359002133 /nfs/dbraw/zinc/00/21/33/359002133.db2.gz AFUPYLQZIPQJNI-UWVGGRQHSA-N 2 1 253.306 0.603 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000572763145 390801791 /nfs/dbraw/zinc/80/17/91/390801791.db2.gz QOOTWKGXUQMMIZ-TXEJJXNPSA-N 2 1 279.344 0.723 20 5 CCBDMP CC(=O)O[C@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1[N@H+]2C ZINC001224773124 805075129 /nfs/dbraw/zinc/07/51/29/805075129.db2.gz DXYJRYHRRJOTEL-XQLPTFJDSA-N 2 1 285.408 0.876 20 5 CCBDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168972503 836089431 /nfs/dbraw/zinc/08/94/31/836089431.db2.gz NERFPVHGACNAQC-TUAOUCFPSA-N 2 1 287.360 0.692 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602789394 362801651 /nfs/dbraw/zinc/80/16/51/362801651.db2.gz ZVQJGFSFKKFUBQ-GFCCVEGCSA-N 2 1 281.360 0.983 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000602789394 362801658 /nfs/dbraw/zinc/80/16/58/362801658.db2.gz ZVQJGFSFKKFUBQ-GFCCVEGCSA-N 2 1 281.360 0.983 20 5 CCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131789287 350287846 /nfs/dbraw/zinc/28/78/46/350287846.db2.gz KKXAEKVKXGRBTD-UWVGGRQHSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131789287 350287847 /nfs/dbraw/zinc/28/78/47/350287847.db2.gz KKXAEKVKXGRBTD-UWVGGRQHSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443591 389686593 /nfs/dbraw/zinc/68/65/93/389686593.db2.gz LXWFEASULJXOOZ-GHMZBOCLSA-N 2 1 267.333 0.864 20 5 CCBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359308 389991393 /nfs/dbraw/zinc/99/13/93/389991393.db2.gz VOHXSRLZHKGHSZ-JOYOIKCWSA-N 2 1 253.302 0.907 20 5 CCBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359308 389991394 /nfs/dbraw/zinc/99/13/94/389991394.db2.gz VOHXSRLZHKGHSZ-JOYOIKCWSA-N 2 1 253.302 0.907 20 5 CCBDMP [NH2+]=C(NCCCC[NH3+])Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001157094233 801299411 /nfs/dbraw/zinc/29/94/11/801299411.db2.gz OFHFNNLHCZRWRH-UHFFFAOYSA-N 2 1 287.711 0.713 20 5 CCBDMP C[C@@]1(C[NH3+])CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000261800378 137020439 /nfs/dbraw/zinc/02/04/39/137020439.db2.gz VWVLABMOYMUFGM-NSHDSACASA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000261800378 137020440 /nfs/dbraw/zinc/02/04/40/137020440.db2.gz VWVLABMOYMUFGM-NSHDSACASA-N 2 1 253.306 0.462 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357071480 144056128 /nfs/dbraw/zinc/05/61/28/144056128.db2.gz JQVNEEOZSBLVAK-GHMZBOCLSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357071480 144056129 /nfs/dbraw/zinc/05/61/29/144056129.db2.gz JQVNEEOZSBLVAK-GHMZBOCLSA-N 2 1 265.317 0.333 20 5 CCBDMP Cn1ncc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000894521280 615879916 /nfs/dbraw/zinc/87/99/16/615879916.db2.gz MFNKQBIKSZNWBP-UHFFFAOYSA-N 2 1 284.364 0.624 20 5 CCBDMP Cn1ncc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000894521280 615879918 /nfs/dbraw/zinc/87/99/18/615879918.db2.gz MFNKQBIKSZNWBP-UHFFFAOYSA-N 2 1 284.364 0.624 20 5 CCBDMP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230506882 805608703 /nfs/dbraw/zinc/60/87/03/805608703.db2.gz JUEPUKQVQWXSBC-SECBINFHSA-N 2 1 293.347 0.508 20 5 CCBDMP Nc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513059 801956346 /nfs/dbraw/zinc/95/63/46/801956346.db2.gz JLUMPDZMZFMVLZ-CYBMUJFWSA-N 2 1 292.343 0.407 20 5 CCBDMP [NH2+]=C(NCCCC[NH3+])Nc1nccnc1[N+](=O)[O-] ZINC001167878387 812378085 /nfs/dbraw/zinc/37/80/85/812378085.db2.gz PKMPOXNLENEFAY-UHFFFAOYSA-N 2 1 253.266 0.060 20 5 CCBDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974467 836092219 /nfs/dbraw/zinc/09/22/19/836092219.db2.gz QNKLYJAKBZQCIT-SDDRHHMPSA-N 2 1 287.360 0.692 20 5 CCBDMP [NH3+]CCCC[NH+]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005384 836094670 /nfs/dbraw/zinc/09/46/70/836094670.db2.gz TXWNFFFRNAATPW-KGLIPLIRSA-N 2 1 284.404 0.788 20 5 CCBDMP [NH3+]CCCC[NH+]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005386 836095908 /nfs/dbraw/zinc/09/59/08/836095908.db2.gz TXWNFFFRNAATPW-ZIAGYGMSSA-N 2 1 284.404 0.788 20 5 CCBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246543347 839948415 /nfs/dbraw/zinc/94/84/15/839948415.db2.gz MXYHMPVCYVUKII-AGIUHOORSA-N 2 1 271.361 0.608 20 5 CCBDMP C[N@@H+](CCOCC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600738116 362050495 /nfs/dbraw/zinc/05/04/95/362050495.db2.gz ZVMMKNOPKNAFLF-UHFFFAOYSA-N 2 1 283.328 0.881 20 5 CCBDMP Cn1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743134 /nfs/dbraw/zinc/74/31/34/362743134.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 1 279.344 0.856 20 5 CCBDMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603428647 363127381 /nfs/dbraw/zinc/12/73/81/363127381.db2.gz KVTSJLZKUFAVDY-MVWJERBFSA-N 2 1 279.344 0.888 20 5 CCBDMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000603428647 363127385 /nfs/dbraw/zinc/12/73/85/363127385.db2.gz KVTSJLZKUFAVDY-MVWJERBFSA-N 2 1 279.344 0.888 20 5 CCBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH3+] ZINC000423196096 389551568 /nfs/dbraw/zinc/55/15/68/389551568.db2.gz YUEWYUXSLQYFAW-SECBINFHSA-N 2 1 266.301 0.860 20 5 CCBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]CC1 ZINC000435611171 389959374 /nfs/dbraw/zinc/95/93/74/389959374.db2.gz QITHFYQZVQTBOQ-LLVKDONJSA-N 2 1 267.333 0.865 20 5 CCBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000435619194 389959425 /nfs/dbraw/zinc/95/94/25/389959425.db2.gz WWRVQXFWDMJNQX-NSHDSACASA-N 2 1 267.333 0.865 20 5 CCBDMP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000420412122 389998527 /nfs/dbraw/zinc/99/85/27/389998527.db2.gz SDBDDKFGFACJNN-WDEREUQCSA-N 2 1 267.333 0.708 20 5 CCBDMP [NH3+]CCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000357105934 144060774 /nfs/dbraw/zinc/06/07/74/144060774.db2.gz OWUNFKIVJJFMBL-UHFFFAOYSA-N 2 1 294.355 0.692 20 5 CCBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC([NH3+])CC1 ZINC000843354741 616127690 /nfs/dbraw/zinc/12/76/90/616127690.db2.gz FVWMQWJOHRQCGK-UHFFFAOYSA-N 2 1 267.333 0.993 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000923518532 640173838 /nfs/dbraw/zinc/17/38/38/640173838.db2.gz MULPNJMTFXNNPE-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246153273 807169866 /nfs/dbraw/zinc/16/98/66/807169866.db2.gz QNKLYJAKBZQCIT-UTUOFQBUSA-N 2 1 287.360 0.692 20 5 CCBDMP C[N@H+]1CCCC[C@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701987 815484906 /nfs/dbraw/zinc/48/49/06/815484906.db2.gz JRVJGIGGUWALSH-QWHCGFSZSA-N 2 1 273.397 0.471 20 5 CCBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000342136850 137087505 /nfs/dbraw/zinc/08/75/05/137087505.db2.gz MKPADGAERQVWSR-QJPTWQEYSA-N 2 1 279.344 0.851 20 5 CCBDMP Cn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603428298 363127493 /nfs/dbraw/zinc/12/74/93/363127493.db2.gz GYDCDHYWCPGOQP-UHFFFAOYSA-N 2 1 297.359 0.658 20 5 CCBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH3+] ZINC000423184813 389549900 /nfs/dbraw/zinc/54/99/00/389549900.db2.gz NKTYPNWYHIHINY-SECBINFHSA-N 2 1 266.301 0.860 20 5 CCBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000351491847 389592784 /nfs/dbraw/zinc/59/27/84/389592784.db2.gz KFLLBMWQPBTBGY-YUSALJHKSA-N 2 1 265.317 0.460 20 5 CCBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000420358876 389991415 /nfs/dbraw/zinc/99/14/15/389991415.db2.gz VCHCSRAPXGYLLZ-GFCCVEGCSA-N 2 1 296.327 0.175 20 5 CCBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108205 130265151 /nfs/dbraw/zinc/26/51/51/130265151.db2.gz QTOQPAGZANGTHG-RAIGVLPGSA-N 2 1 279.344 0.851 20 5 CCBDMP [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])ccn2)C[NH+]2CCC1CC2 ZINC001160508712 801954190 /nfs/dbraw/zinc/95/41/90/801954190.db2.gz JFUAUDBTGDXEAO-ZDUSSCGKSA-N 2 1 277.328 0.825 20 5 CCBDMP Cc1nn(C)c(NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596425830 360891340 /nfs/dbraw/zinc/89/13/40/360891340.db2.gz WJSFHCFFAGFMSP-UHFFFAOYSA-N 2 1 298.391 0.932 20 5 CCBDMP Cc1nn(C)c(NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596425830 360891342 /nfs/dbraw/zinc/89/13/42/360891342.db2.gz WJSFHCFFAGFMSP-UHFFFAOYSA-N 2 1 298.391 0.932 20 5 CCBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CNCCO1 ZINC000415091878 389657490 /nfs/dbraw/zinc/65/74/90/389657490.db2.gz DGOOXDGBHBVVPL-LLVKDONJSA-N 2 1 251.286 0.673 20 5 CCBDMP [NH3+]CCOCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088489 144059097 /nfs/dbraw/zinc/05/90/97/144059097.db2.gz XIDMMUSLIBOFNL-LLVKDONJSA-N 2 1 295.343 0.451 20 5 CCBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001167092040 790526333 /nfs/dbraw/zinc/52/63/33/790526333.db2.gz HWSJBCFQVPMWAE-KJDJKKKBSA-N 2 1 293.327 0.030 20 5 CCBDMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246400793 807241675 /nfs/dbraw/zinc/24/16/75/807241675.db2.gz HXTCCKMPLHSQBY-MXWKQRLJSA-N 2 1 273.333 0.302 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243691 351164057 /nfs/dbraw/zinc/16/40/57/351164057.db2.gz MUBZHDWDLOZBIH-NSHDSACASA-N 2 1 267.333 0.675 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243691 351164060 /nfs/dbraw/zinc/16/40/60/351164060.db2.gz MUBZHDWDLOZBIH-NSHDSACASA-N 2 1 267.333 0.675 20 5 CCBDMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430109 363128837 /nfs/dbraw/zinc/12/88/37/363128837.db2.gz SKFPPEXBRMQIOS-JTQLQIEISA-N 2 1 267.333 0.889 20 5 CCBDMP CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592984983 360007999 /nfs/dbraw/zinc/00/79/99/360007999.db2.gz YFXARLQUSWSWNH-ZYHUDNBSSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000592984983 360008003 /nfs/dbraw/zinc/00/80/03/360008003.db2.gz YFXARLQUSWSWNH-ZYHUDNBSSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572175 389808398 /nfs/dbraw/zinc/80/83/98/389808398.db2.gz NMOBIHZQKSMOQB-WDEREUQCSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763508 389861743 /nfs/dbraw/zinc/86/17/43/389861743.db2.gz SDVNBRSAWYEQSS-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334389 616150969 /nfs/dbraw/zinc/15/09/69/616150969.db2.gz HLIAXWRJBSIRME-YPMHNXCESA-N 2 1 297.359 0.226 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246563966 807293471 /nfs/dbraw/zinc/29/34/71/807293471.db2.gz DNSXIQXLLZYIDC-ZLKJLUDKSA-N 2 1 279.340 0.920 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246563966 807293477 /nfs/dbraw/zinc/29/34/77/807293477.db2.gz DNSXIQXLLZYIDC-ZLKJLUDKSA-N 2 1 279.340 0.920 20 5 CCBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1N ZINC001254538418 808257958 /nfs/dbraw/zinc/25/79/58/808257958.db2.gz URCGURPYIKYSAZ-YUSALJHKSA-N 2 1 265.313 0.842 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589435 808263800 /nfs/dbraw/zinc/26/38/00/808263800.db2.gz OSLAVKMIJIFMCD-AWEZNQCLSA-N 2 1 293.367 0.966 20 5 CCBDMP C[N@H+]1CCCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978084 836076761 /nfs/dbraw/zinc/07/67/61/836076761.db2.gz OGBQNRDLXMWYJM-KGLIPLIRSA-N 2 1 284.404 0.659 20 5 CCBDMP C[NH+]1CCN(C2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042772 836113948 /nfs/dbraw/zinc/11/39/48/836113948.db2.gz FKFKVRVIJXGUQW-STQMWFEESA-N 2 1 282.388 0.363 20 5 CCBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397021741 285234040 /nfs/dbraw/zinc/23/40/40/285234040.db2.gz HZKIVSANOZGUAB-UHFFFAOYSA-N 2 1 295.339 0.889 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572172 389808721 /nfs/dbraw/zinc/80/87/21/389808721.db2.gz NMOBIHZQKSMOQB-MNOVXSKESA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763512 389861417 /nfs/dbraw/zinc/86/14/17/389861417.db2.gz SDVNBRSAWYEQSS-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C[NH3+] ZINC000923495583 640161952 /nfs/dbraw/zinc/16/19/52/640161952.db2.gz CNBOKHMZXXDQFI-MNOVXSKESA-N 2 1 267.333 0.708 20 5 CCBDMP C[C@@H](C[N+](C)(C)C)OCCCN1CC[NH+](C)CC1 ZINC001206595842 803273580 /nfs/dbraw/zinc/27/35/80/803273580.db2.gz JHOUYRUWAUEZJO-AWEZNQCLSA-N 2 1 258.430 0.735 20 5 CCBDMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970634 836090903 /nfs/dbraw/zinc/09/09/03/836090903.db2.gz HXTCCKMPLHSQBY-GMTAPVOTSA-N 2 1 273.333 0.302 20 5 CCBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000071148679 348904396 /nfs/dbraw/zinc/90/43/96/348904396.db2.gz CHEYJILSTATVHH-UHFFFAOYSA-N 2 1 278.356 0.932 20 5 CCBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000158155754 350654609 /nfs/dbraw/zinc/65/46/09/350654609.db2.gz GZDFZVCTQONGLA-WZRBSPASSA-N 2 1 297.359 0.225 20 5 CCBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278856 582066523 /nfs/dbraw/zinc/06/65/23/582066523.db2.gz WIUJBLKKJJCBOW-SGMGOOAPSA-N 2 1 277.324 0.779 20 5 CCBDMP C[NH+](CC[N+](=O)[O-])[C@H]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])CC1 ZINC000931738771 616123394 /nfs/dbraw/zinc/12/33/94/616123394.db2.gz XMPNXSMLOUZRCO-HAQNSBGRSA-N 2 1 288.348 0.715 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516403 640173269 /nfs/dbraw/zinc/17/32/69/640173269.db2.gz CLXWUUIQGLNRHW-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516403 640173273 /nfs/dbraw/zinc/17/32/73/640173273.db2.gz CLXWUUIQGLNRHW-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP Cc1nc(NC(=[NH2+])NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001157101496 801302047 /nfs/dbraw/zinc/30/20/47/801302047.db2.gz JUYAXJFLMGIJBG-UHFFFAOYSA-N 2 1 267.293 0.368 20 5 CCBDMP [NH2+]=C(NCCCC[NH3+])Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001167878672 812383297 /nfs/dbraw/zinc/38/32/97/812383297.db2.gz BMDLCPQVGAMXRW-UHFFFAOYSA-N 2 1 287.711 0.713 20 5 CCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978385 836076886 /nfs/dbraw/zinc/07/68/86/836076886.db2.gz RNZNTTLFBOQCBC-AXFHLTTASA-N 2 1 268.317 0.363 20 5 CCBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036520 836110002 /nfs/dbraw/zinc/11/00/02/836110002.db2.gz GIAAVTQZLIVKQL-NDBYEHHHSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036520 836110008 /nfs/dbraw/zinc/11/00/08/836110008.db2.gz GIAAVTQZLIVKQL-NDBYEHHHSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036520 836110012 /nfs/dbraw/zinc/11/00/12/836110012.db2.gz GIAAVTQZLIVKQL-NDBYEHHHSA-N 2 1 253.346 0.925 20 5 CCBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786813 389863200 /nfs/dbraw/zinc/86/32/00/389863200.db2.gz ZYMJDEUVGNLPKY-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP O=[N+]([O-])CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805313 625434182 /nfs/dbraw/zinc/43/41/82/625434182.db2.gz FMEXNQQBEUZSSJ-UHFFFAOYSA-N 2 1 250.302 0.870 20 5 CCBDMP O=[N+]([O-])CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930805313 625434185 /nfs/dbraw/zinc/43/41/85/625434185.db2.gz FMEXNQQBEUZSSJ-UHFFFAOYSA-N 2 1 250.302 0.870 20 5 CCBDMP C[NH2+]C1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001163706929 820245321 /nfs/dbraw/zinc/24/53/21/820245321.db2.gz NPUCLAFLVBBEQR-SNAWJCMRSA-N 2 1 277.328 0.930 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638117 840218498 /nfs/dbraw/zinc/21/84/98/840218498.db2.gz AURBZLFIEXIHMR-JHJVBQTASA-N 2 1 268.361 0.069 20 5 CCBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000415056887 282336299 /nfs/dbraw/zinc/33/62/99/282336299.db2.gz OYVUBGXOVNZYCM-RNZFLTOJSA-N 2 1 265.313 0.859 20 5 CCBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000415056887 282336300 /nfs/dbraw/zinc/33/63/00/282336300.db2.gz OYVUBGXOVNZYCM-RNZFLTOJSA-N 2 1 265.313 0.859 20 5 CCBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000311016735 137073690 /nfs/dbraw/zinc/07/36/90/137073690.db2.gz YFVLBQRWLAUWIO-LBPRGKRZSA-N 2 1 253.302 0.389 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630796 350829346 /nfs/dbraw/zinc/82/93/46/350829346.db2.gz VWDVOXROBOQNKQ-GXSJLCMTSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630796 350829348 /nfs/dbraw/zinc/82/93/48/350829348.db2.gz VWDVOXROBOQNKQ-GXSJLCMTSA-N 2 1 292.339 0.863 20 5 CCBDMP [NH3+]CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000420315747 389982769 /nfs/dbraw/zinc/98/27/69/389982769.db2.gz LHGAFSXAKUDADQ-JTQLQIEISA-N 2 1 265.317 0.825 20 5 CCBDMP O=[N+]([O-])c1ccn(CCN2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000566017772 390568928 /nfs/dbraw/zinc/56/89/28/390568928.db2.gz KQHWFTWDIMGKJB-UHFFFAOYSA-N 2 1 291.315 0.337 20 5 CCBDMP [NH3+]CCOCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088490 144059039 /nfs/dbraw/zinc/05/90/39/144059039.db2.gz XIDMMUSLIBOFNL-NSHDSACASA-N 2 1 295.343 0.451 20 5 CCBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376794 616126089 /nfs/dbraw/zinc/12/60/89/616126089.db2.gz OZDIPTZEGSLNTP-UBHSHLNASA-N 2 1 279.340 0.920 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246563963 807291783 /nfs/dbraw/zinc/29/17/83/807291783.db2.gz DNSXIQXLLZYIDC-LERXQTSPSA-N 2 1 279.340 0.920 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246563963 807291786 /nfs/dbraw/zinc/29/17/86/807291786.db2.gz DNSXIQXLLZYIDC-LERXQTSPSA-N 2 1 279.340 0.920 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246623643 807331083 /nfs/dbraw/zinc/33/10/83/807331083.db2.gz BDPVOSPAIRMPKV-UPJWGTAASA-N 2 1 268.361 0.069 20 5 CCBDMP COc1nc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167878402 812378688 /nfs/dbraw/zinc/37/86/88/812378688.db2.gz QBRBIPMLGKPVSM-UHFFFAOYSA-N 2 1 297.319 0.377 20 5 CCBDMP CC(C)[NH+]1CC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001157532971 837100808 /nfs/dbraw/zinc/10/08/08/837100808.db2.gz OBOXZTCEBBUBDT-UHFFFAOYSA-N 2 1 292.343 0.576 20 5 CCBDMP C[N@@H+](CCOCC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000600733699 362048600 /nfs/dbraw/zinc/04/86/00/362048600.db2.gz BEIBBZFLQAYACU-UHFFFAOYSA-N 2 1 283.328 0.881 20 5 CCBDMP C[C@]1(C[NH3+])CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000261602464 137011609 /nfs/dbraw/zinc/01/16/09/137011609.db2.gz ABNIJOLBDVMPHI-LLVKDONJSA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@]1(C[NH3+])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000261602464 137011610 /nfs/dbraw/zinc/01/16/10/137011610.db2.gz ABNIJOLBDVMPHI-LLVKDONJSA-N 2 1 253.306 0.462 20 5 CCBDMP [NH3+]CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000057794911 348615972 /nfs/dbraw/zinc/61/59/72/348615972.db2.gz NGECCVXCGAUFRG-UHFFFAOYSA-N 2 1 295.343 0.087 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745517 351052749 /nfs/dbraw/zinc/05/27/49/351052749.db2.gz WGTNBIHIKOYDBN-AAEUAGOBSA-N 2 1 297.359 0.036 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173745517 351052755 /nfs/dbraw/zinc/05/27/55/351052755.db2.gz WGTNBIHIKOYDBN-AAEUAGOBSA-N 2 1 297.359 0.036 20 5 CCBDMP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000420398580 389996859 /nfs/dbraw/zinc/99/68/59/389996859.db2.gz GZCJRNMYECDOOB-WDEREUQCSA-N 2 1 267.333 0.708 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442359 648990428 /nfs/dbraw/zinc/99/04/28/648990428.db2.gz DLXQZVCLTGCUDN-OLZOCXBDSA-N 2 1 293.371 0.983 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442359 648990432 /nfs/dbraw/zinc/99/04/32/648990432.db2.gz DLXQZVCLTGCUDN-OLZOCXBDSA-N 2 1 293.371 0.983 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442359 648990436 /nfs/dbraw/zinc/99/04/36/648990436.db2.gz DLXQZVCLTGCUDN-OLZOCXBDSA-N 2 1 293.371 0.983 20 5 CCBDMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246153266 807170324 /nfs/dbraw/zinc/17/03/24/807170324.db2.gz QNKLYJAKBZQCIT-SRVKXCTJSA-N 2 1 287.360 0.692 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578840 807301172 /nfs/dbraw/zinc/30/11/72/807301172.db2.gz CUFCMEIGGCJHSG-OSMZGAPFSA-N 2 1 279.340 0.777 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612660 807324627 /nfs/dbraw/zinc/32/46/27/807324627.db2.gz BUDLLLQITIONPQ-XUXIUFHCSA-N 2 1 282.388 0.458 20 5 CCBDMP C[N@H+]1CCCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978083 836076422 /nfs/dbraw/zinc/07/64/22/836076422.db2.gz OGBQNRDLXMWYJM-KBPBESRZSA-N 2 1 284.404 0.659 20 5 CCBDMP C[N@H+]1CC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208871 /nfs/dbraw/zinc/20/88/71/357208871.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 1 279.344 0.819 20 5 CCBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420368734 389993521 /nfs/dbraw/zinc/99/35/21/389993521.db2.gz NZTFJHSSMKSLCU-JFGNBEQYSA-N 2 1 267.333 0.767 20 5 CCBDMP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000420398575 389996791 /nfs/dbraw/zinc/99/67/91/389996791.db2.gz GZCJRNMYECDOOB-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC([NH3+])CC1 ZINC000844221349 616127688 /nfs/dbraw/zinc/12/76/88/616127688.db2.gz WVPMOAFZJIIIFM-UHFFFAOYSA-N 2 1 267.333 0.993 20 5 CCBDMP Cc1nccn1-c1ncccc1CNCC[N+](=O)[O-] ZINC000905063321 634795040 /nfs/dbraw/zinc/79/50/40/634795040.db2.gz YCJZKUJMQFIIQW-UHFFFAOYSA-N 2 1 261.285 0.942 20 5 CCBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)ncc1[N+](=O)[O-] ZINC001163125781 802487136 /nfs/dbraw/zinc/48/71/36/802487136.db2.gz JXIPIYVSKCZFSM-UHFFFAOYSA-N 2 1 295.347 0.971 20 5 CCBDMP C[N@H+]1[C@@H]2C[C@@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623715 815346863 /nfs/dbraw/zinc/34/68/63/815346863.db2.gz QBCOGBHSXVADIA-IACUBPJLSA-N 2 1 255.382 0.904 20 5 CCBDMP C[N@H+]1CCCC[C@@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701985 815485111 /nfs/dbraw/zinc/48/51/11/815485111.db2.gz JRVJGIGGUWALSH-CHWSQXEVSA-N 2 1 273.397 0.471 20 5 CCBDMP N[C@H](CCC[NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170901324 839548352 /nfs/dbraw/zinc/54/83/52/839548352.db2.gz ZGQRUEKRFQHPKU-LBPRGKRZSA-N 2 1 265.317 0.634 20 5 CCBDMP CN1CC[C@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999335 920555447 /nfs/dbraw/zinc/55/54/47/920555447.db2.gz FGTHIZHZNKJFAB-KBPBESRZSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999335 920555461 /nfs/dbraw/zinc/55/54/61/920555461.db2.gz FGTHIZHZNKJFAB-KBPBESRZSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999335 920555477 /nfs/dbraw/zinc/55/54/77/920555477.db2.gz FGTHIZHZNKJFAB-KBPBESRZSA-N 2 1 295.339 0.284 20 5 CCBDMP Cn1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743175 /nfs/dbraw/zinc/74/31/75/362743175.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 1 279.344 0.856 20 5 CCBDMP CC1([NH3+])CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000592485004 359853514 /nfs/dbraw/zinc/85/35/14/359853514.db2.gz MUOKMNJNENLFGE-UHFFFAOYSA-N 2 1 253.306 0.605 20 5 CCBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000420349462 389988024 /nfs/dbraw/zinc/98/80/24/389988024.db2.gz CYMUHBOEAXITOR-JTQLQIEISA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000420349462 389988025 /nfs/dbraw/zinc/98/80/25/389988025.db2.gz CYMUHBOEAXITOR-JTQLQIEISA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+]1CCc2c(NOCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001164435454 802741660 /nfs/dbraw/zinc/74/16/60/802741660.db2.gz FULWSYVAVABFRP-UHFFFAOYSA-N 2 1 266.301 0.885 20 5 CCBDMP C[N@H+]1CCc2c(NOCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001164435454 802741664 /nfs/dbraw/zinc/74/16/64/802741664.db2.gz FULWSYVAVABFRP-UHFFFAOYSA-N 2 1 266.301 0.885 20 5 CCBDMP [NH3+][C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246560636 807288620 /nfs/dbraw/zinc/28/86/20/807288620.db2.gz RYBIGYSGQJJLCR-BFHYXJOUSA-N 2 1 277.324 0.456 20 5 CCBDMP [NH3+][C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246560636 807288623 /nfs/dbraw/zinc/28/86/23/807288623.db2.gz RYBIGYSGQJJLCR-BFHYXJOUSA-N 2 1 277.324 0.456 20 5 CCBDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974464 836092312 /nfs/dbraw/zinc/09/23/12/836092312.db2.gz QNKLYJAKBZQCIT-GRYCIOLGSA-N 2 1 287.360 0.692 20 5 CCBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000415056888 282336017 /nfs/dbraw/zinc/33/60/17/282336017.db2.gz OYVUBGXOVNZYCM-TXNVCOODSA-N 2 1 265.313 0.859 20 5 CCBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000415056888 282336023 /nfs/dbraw/zinc/33/60/23/282336023.db2.gz OYVUBGXOVNZYCM-TXNVCOODSA-N 2 1 265.313 0.859 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614871 389812828 /nfs/dbraw/zinc/81/28/28/389812828.db2.gz AGXKGHMNVKMAGQ-NSHDSACASA-N 2 1 267.333 0.723 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430614871 389812830 /nfs/dbraw/zinc/81/28/30/389812830.db2.gz AGXKGHMNVKMAGQ-NSHDSACASA-N 2 1 267.333 0.723 20 5 CCBDMP C[NH2+]C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430937773 389837923 /nfs/dbraw/zinc/83/79/23/389837923.db2.gz FHLJLKFCTXPUJI-JTQLQIEISA-N 2 1 253.306 0.333 20 5 CCBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430937773 389837925 /nfs/dbraw/zinc/83/79/25/389837925.db2.gz FHLJLKFCTXPUJI-JTQLQIEISA-N 2 1 253.306 0.333 20 5 CCBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342109240 130265662 /nfs/dbraw/zinc/26/56/62/130265662.db2.gz QTOQPAGZANGTHG-WCFLWFBJSA-N 2 1 279.344 0.851 20 5 CCBDMP C[NH2+]CCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923379248 616943112 /nfs/dbraw/zinc/94/31/12/616943112.db2.gz ZXPYGGSLGUTHKA-LBPRGKRZSA-N 2 1 297.355 0.876 20 5 CCBDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923379248 616943116 /nfs/dbraw/zinc/94/31/16/616943116.db2.gz ZXPYGGSLGUTHKA-LBPRGKRZSA-N 2 1 297.355 0.876 20 5 CCBDMP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281841 640068907 /nfs/dbraw/zinc/06/89/07/640068907.db2.gz RBKLDSZMEJYRKX-ZWNOBZJWSA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281841 640068909 /nfs/dbraw/zinc/06/89/09/640068909.db2.gz RBKLDSZMEJYRKX-ZWNOBZJWSA-N 2 1 265.313 0.909 20 5 CCBDMP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923490371 640163434 /nfs/dbraw/zinc/16/34/34/640163434.db2.gz NDKYDOXWMYTCQD-VHSXEESVSA-N 2 1 267.333 0.745 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000601328093 362225139 /nfs/dbraw/zinc/22/51/39/362225139.db2.gz GSDDPVRLRBYKKK-PWSUYJOCSA-N 2 1 265.317 0.523 20 5 CCBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000311016734 137073490 /nfs/dbraw/zinc/07/34/90/137073490.db2.gz YFVLBQRWLAUWIO-GFCCVEGCSA-N 2 1 253.302 0.389 20 5 CCBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342136842 137087542 /nfs/dbraw/zinc/08/75/42/137087542.db2.gz MKPADGAERQVWSR-GRYCIOLGSA-N 2 1 279.344 0.851 20 5 CCBDMP CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592984982 360008100 /nfs/dbraw/zinc/00/81/00/360008100.db2.gz YFXARLQUSWSWNH-PWSUYJOCSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592984982 360008106 /nfs/dbraw/zinc/00/81/06/360008106.db2.gz YFXARLQUSWSWNH-PWSUYJOCSA-N 2 1 267.333 0.851 20 5 CCBDMP CCO[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000593737293 360144434 /nfs/dbraw/zinc/14/44/34/360144434.db2.gz SWAQFENPMYVEIP-GHMZBOCLSA-N 2 1 283.332 0.087 20 5 CCBDMP CCO[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000593737293 360144435 /nfs/dbraw/zinc/14/44/35/360144435.db2.gz SWAQFENPMYVEIP-GHMZBOCLSA-N 2 1 283.332 0.087 20 5 CCBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420377338 389994479 /nfs/dbraw/zinc/99/44/79/389994479.db2.gz WDXPTFNGGCOGFZ-SCVCMEIPSA-N 2 1 267.333 0.767 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503821 534889036 /nfs/dbraw/zinc/88/90/36/534889036.db2.gz GUGHLCZABYHCTI-UHFFFAOYSA-N 2 1 279.344 0.867 20 5 CCBDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923379166 616942628 /nfs/dbraw/zinc/94/26/28/616942628.db2.gz YGNKEVVLUMXKRZ-CYBMUJFWSA-N 2 1 297.355 0.876 20 5 CCBDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923379166 616942632 /nfs/dbraw/zinc/94/26/32/616942632.db2.gz YGNKEVVLUMXKRZ-CYBMUJFWSA-N 2 1 297.355 0.876 20 5 CCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978388 836077196 /nfs/dbraw/zinc/07/71/96/836077196.db2.gz RNZNTTLFBOQCBC-MXWKQRLJSA-N 2 1 268.317 0.363 20 5 CCBDMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970636 836090358 /nfs/dbraw/zinc/09/03/58/836090358.db2.gz HXTCCKMPLHSQBY-HBNTYKKESA-N 2 1 273.333 0.302 20 5 CCBDMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246400794 839830816 /nfs/dbraw/zinc/83/08/16/839830816.db2.gz HXTCCKMPLHSQBY-VWYCJHECSA-N 2 1 273.333 0.302 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596423810 360889620 /nfs/dbraw/zinc/88/96/20/360889620.db2.gz COTUIPFBBLVALF-UHFFFAOYSA-N 2 1 284.364 0.624 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596423810 360889625 /nfs/dbraw/zinc/88/96/25/360889625.db2.gz COTUIPFBBLVALF-UHFFFAOYSA-N 2 1 284.364 0.624 20 5 CCBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000071150895 388956391 /nfs/dbraw/zinc/95/63/91/388956391.db2.gz GTSWHSJPHWGYFP-UHFFFAOYSA-N 2 1 292.383 0.974 20 5 CCBDMP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000430617381 389813472 /nfs/dbraw/zinc/81/34/72/389813472.db2.gz MHQTUMJPOMFCBY-UHFFFAOYSA-N 2 1 253.306 0.475 20 5 CCBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000430617381 389813475 /nfs/dbraw/zinc/81/34/75/389813475.db2.gz MHQTUMJPOMFCBY-UHFFFAOYSA-N 2 1 253.306 0.475 20 5 CCBDMP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000420412119 389998480 /nfs/dbraw/zinc/99/84/80/389998480.db2.gz SDBDDKFGFACJNN-QWRGUYRKSA-N 2 1 267.333 0.708 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357074682 144056778 /nfs/dbraw/zinc/05/67/78/144056778.db2.gz NCRRLVKYBUVMMW-QWRGUYRKSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357074682 144056779 /nfs/dbraw/zinc/05/67/79/144056779.db2.gz NCRRLVKYBUVMMW-QWRGUYRKSA-N 2 1 265.317 0.333 20 5 CCBDMP C[NH+](C)CC1(O)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000931478905 615872700 /nfs/dbraw/zinc/87/27/00/615872700.db2.gz HBIZOHOWGIODCY-UHFFFAOYSA-N 2 1 294.355 0.878 20 5 CCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334380 616150823 /nfs/dbraw/zinc/15/08/23/616150823.db2.gz HLIAXWRJBSIRME-AAEUAGOBSA-N 2 1 297.359 0.226 20 5 CCBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894013 800001758 /nfs/dbraw/zinc/00/17/58/800001758.db2.gz BLLIIONZFYDMKR-YPMHNXCESA-N 2 1 297.359 0.084 20 5 CCBDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978086 836076399 /nfs/dbraw/zinc/07/63/99/836076399.db2.gz OGBQNRDLXMWYJM-ZIAGYGMSSA-N 2 1 284.404 0.659 20 5 CCBDMP [NH3+]CCCC[NH+]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005385 836095515 /nfs/dbraw/zinc/09/55/15/836095515.db2.gz TXWNFFFRNAATPW-UONOGXRCSA-N 2 1 284.404 0.788 20 5 CCBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000226874589 352034894 /nfs/dbraw/zinc/03/48/94/352034894.db2.gz GZDFZVCTQONGLA-NTZNESFSSA-N 2 1 297.359 0.225 20 5 CCBDMP C[N@H+]1CC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209482 /nfs/dbraw/zinc/20/94/82/357209482.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 1 279.344 0.819 20 5 CCBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222633 358835608 /nfs/dbraw/zinc/83/56/08/358835608.db2.gz UPJCIDPJMUEWRP-VHSXEESVSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222633 358835609 /nfs/dbraw/zinc/83/56/09/358835609.db2.gz UPJCIDPJMUEWRP-VHSXEESVSA-N 2 1 253.306 0.603 20 5 CCBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000593733325 360143492 /nfs/dbraw/zinc/14/34/92/360143492.db2.gz LKOZFYKFIZBCPU-AAEUAGOBSA-N 2 1 279.344 0.852 20 5 CCBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000351498883 389595812 /nfs/dbraw/zinc/59/58/12/389595812.db2.gz WLKFSQQQMOHJNT-GMTAPVOTSA-N 2 1 265.317 0.460 20 5 CCBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064132 389872663 /nfs/dbraw/zinc/87/26/63/389872663.db2.gz BWRBLDFUQHTALE-NSHDSACASA-N 2 1 267.333 0.852 20 5 CCBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352526546 389825868 /nfs/dbraw/zinc/82/58/68/389825868.db2.gz OVBFUYCBPGSGML-LLVKDONJSA-N 2 1 267.333 0.995 20 5 CCBDMP CCN1CC[NH+](CCCC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905110316 615157646 /nfs/dbraw/zinc/15/76/46/615157646.db2.gz MGNUZSFWVQPSGI-UHFFFAOYSA-N 2 1 258.366 0.270 20 5 CCBDMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923490372 640163036 /nfs/dbraw/zinc/16/30/36/640163036.db2.gz NDKYDOXWMYTCQD-ZJUUUORDSA-N 2 1 267.333 0.745 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607731 807322047 /nfs/dbraw/zinc/32/20/47/807322047.db2.gz XIHQZENEZHTQOY-OLZOCXBDSA-N 2 1 282.388 0.459 20 5 CCBDMP CN1CC[C@@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999338 920555829 /nfs/dbraw/zinc/55/58/29/920555829.db2.gz FGTHIZHZNKJFAB-ZIAGYGMSSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999338 920555839 /nfs/dbraw/zinc/55/58/39/920555839.db2.gz FGTHIZHZNKJFAB-ZIAGYGMSSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999338 920555851 /nfs/dbraw/zinc/55/58/51/920555851.db2.gz FGTHIZHZNKJFAB-ZIAGYGMSSA-N 2 1 295.339 0.284 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521848 232120309 /nfs/dbraw/zinc/12/03/09/232120309.db2.gz YUDDOVZDCYFGES-UHFFFAOYSA-N 2 1 279.344 0.904 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693049 352423850 /nfs/dbraw/zinc/42/38/50/352423850.db2.gz WGTNBIHIKOYDBN-WCQYABFASA-N 2 1 297.359 0.036 20 5 CCBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693049 352423854 /nfs/dbraw/zinc/42/38/54/352423854.db2.gz WGTNBIHIKOYDBN-WCQYABFASA-N 2 1 297.359 0.036 20 5 CCBDMP C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443629 389686100 /nfs/dbraw/zinc/68/61/00/389686100.db2.gz LXWFEASULJXOOZ-MNOVXSKESA-N 2 1 267.333 0.864 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859752 389700747 /nfs/dbraw/zinc/70/07/47/389700747.db2.gz DKCDNKYIUVBSEK-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862756 389701740 /nfs/dbraw/zinc/70/17/40/389701740.db2.gz QHYBHSXWMCXQDN-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000430642889 389815911 /nfs/dbraw/zinc/81/59/11/389815911.db2.gz PUMXXKCBTZMCFY-UHFFFAOYSA-N 2 1 253.306 0.475 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420368912 389993066 /nfs/dbraw/zinc/99/30/66/389993066.db2.gz KRGTUQFKBSVYAT-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420368912 389993067 /nfs/dbraw/zinc/99/30/67/389993067.db2.gz KRGTUQFKBSVYAT-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264340 799711568 /nfs/dbraw/zinc/71/15/68/799711568.db2.gz BLLIIONZFYDMKR-DGCLKSJQSA-N 2 1 297.359 0.084 20 5 CCBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165384374 802831296 /nfs/dbraw/zinc/83/12/96/802831296.db2.gz DWGDJFDNQCEWOA-AQUCKGJKSA-N 2 1 289.339 0.915 20 5 CCBDMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246153275 807170202 /nfs/dbraw/zinc/17/02/02/807170202.db2.gz QNKLYJAKBZQCIT-WOPDTQHZSA-N 2 1 287.360 0.692 20 5 CCBDMP [NH3+]C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001246580682 807304038 /nfs/dbraw/zinc/30/40/38/807304038.db2.gz NLHKUJGYHSMSSS-YUTCNCBUSA-N 2 1 277.324 0.313 20 5 CCBDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974466 836092059 /nfs/dbraw/zinc/09/20/59/836092059.db2.gz QNKLYJAKBZQCIT-QJPTWQEYSA-N 2 1 287.360 0.692 20 5 CCBDMP C[NH+]1CCN(C2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042770 836113597 /nfs/dbraw/zinc/11/35/97/836113597.db2.gz FKFKVRVIJXGUQW-OLZOCXBDSA-N 2 1 282.388 0.363 20 5 CCBDMP CN1CC[C@@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999337 920555560 /nfs/dbraw/zinc/55/55/60/920555560.db2.gz FGTHIZHZNKJFAB-UONOGXRCSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999337 920555568 /nfs/dbraw/zinc/55/55/68/920555568.db2.gz FGTHIZHZNKJFAB-UONOGXRCSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001335999337 920555576 /nfs/dbraw/zinc/55/55/76/920555576.db2.gz FGTHIZHZNKJFAB-UONOGXRCSA-N 2 1 295.339 0.284 20 5 CCBDMP C[NH+](C)CCN1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC001353279079 925778817 /nfs/dbraw/zinc/77/88/17/925778817.db2.gz XXVPNAGXHXJTNG-UHFFFAOYSA-N 2 1 258.366 0.126 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322396 349436143 /nfs/dbraw/zinc/43/61/43/349436143.db2.gz IDLXMVIZAPGEGW-PHIMTYICSA-N 2 1 265.317 0.251 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322396 349436144 /nfs/dbraw/zinc/43/61/44/349436144.db2.gz IDLXMVIZAPGEGW-PHIMTYICSA-N 2 1 265.317 0.251 20 5 CCBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C[NH3+] ZINC000430593243 389810900 /nfs/dbraw/zinc/81/09/00/389810900.db2.gz RZVHMGFCXKOZEL-UHFFFAOYSA-N 2 1 255.322 0.708 20 5 CCBDMP C[NH+]1CCN([C@H](C[NH2+]CC[N+](=O)[O-])c2cccs2)CC1 ZINC000899859628 616246969 /nfs/dbraw/zinc/24/69/69/616246969.db2.gz LODBHLHHRWITJS-GFCCVEGCSA-N 2 1 298.412 0.903 20 5 CCBDMP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616483 641116892 /nfs/dbraw/zinc/11/68/92/641116892.db2.gz PONBMAWXZUYBBY-IINYFYTJSA-N 2 1 294.355 0.894 20 5 CCBDMP [NH3+]C1CC[NH+](CCNc2cc([N+](=O)[O-])ccn2)CC1 ZINC000721964516 806026484 /nfs/dbraw/zinc/02/64/84/806026484.db2.gz VLFDPDQVDBXHOO-UHFFFAOYSA-N 2 1 265.317 0.825 20 5 CCBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578839 807299809 /nfs/dbraw/zinc/29/98/09/807299809.db2.gz CUFCMEIGGCJHSG-JKOKRWQUSA-N 2 1 279.340 0.777 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246623637 807330772 /nfs/dbraw/zinc/33/07/72/807330772.db2.gz BDPVOSPAIRMPKV-AGIUHOORSA-N 2 1 268.361 0.069 20 5 CCBDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974465 836092183 /nfs/dbraw/zinc/09/21/83/836092183.db2.gz QNKLYJAKBZQCIT-IJLUTSLNSA-N 2 1 287.360 0.692 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572174 389808130 /nfs/dbraw/zinc/80/81/30/389808130.db2.gz NMOBIHZQKSMOQB-QWRGUYRKSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573958 389809012 /nfs/dbraw/zinc/80/90/12/389809012.db2.gz NIYQPBYHVADECB-GHMZBOCLSA-N 2 1 267.333 0.851 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060894 389872734 /nfs/dbraw/zinc/87/27/34/389872734.db2.gz HOSKSVPMVJMTHW-JTQLQIEISA-N 2 1 267.333 0.889 20 5 CCBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763510 389861560 /nfs/dbraw/zinc/86/15/60/389861560.db2.gz SDVNBRSAWYEQSS-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619193 389959218 /nfs/dbraw/zinc/95/92/18/389959218.db2.gz WWRVQXFWDMJNQX-LLVKDONJSA-N 2 1 267.333 0.865 20 5 CCBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000420349469 389987700 /nfs/dbraw/zinc/98/77/00/389987700.db2.gz CYMUHBOEAXITOR-SNVBAGLBSA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000420349469 389987702 /nfs/dbraw/zinc/98/77/02/389987702.db2.gz CYMUHBOEAXITOR-SNVBAGLBSA-N 2 1 269.301 0.225 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283922 616981848 /nfs/dbraw/zinc/98/18/48/616981848.db2.gz ZIYGKXIPTREILK-WCQYABFASA-N 2 1 297.359 0.084 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283922 616981851 /nfs/dbraw/zinc/98/18/51/616981851.db2.gz ZIYGKXIPTREILK-WCQYABFASA-N 2 1 297.359 0.084 20 5 CCBDMP Nc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514362 801958335 /nfs/dbraw/zinc/95/83/35/801958335.db2.gz WBVSTICOUIZKND-ZDUSSCGKSA-N 2 1 292.343 0.407 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638109 807341411 /nfs/dbraw/zinc/34/14/11/807341411.db2.gz AURBZLFIEXIHMR-AGIUHOORSA-N 2 1 268.361 0.069 20 5 CCBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222631 358835190 /nfs/dbraw/zinc/83/51/90/358835190.db2.gz UPJCIDPJMUEWRP-NXEZZACHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222631 358835192 /nfs/dbraw/zinc/83/51/92/358835192.db2.gz UPJCIDPJMUEWRP-NXEZZACHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222634 358835273 /nfs/dbraw/zinc/83/52/73/358835273.db2.gz UPJCIDPJMUEWRP-ZJUUUORDSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570222634 358835275 /nfs/dbraw/zinc/83/52/75/358835275.db2.gz UPJCIDPJMUEWRP-ZJUUUORDSA-N 2 1 253.306 0.603 20 5 CCBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1C[NH2+]CCO1 ZINC000415091451 389657275 /nfs/dbraw/zinc/65/72/75/389657275.db2.gz CPXNQZPRTBSSKU-CYBMUJFWSA-N 2 1 265.313 0.981 20 5 CCBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057332 389872309 /nfs/dbraw/zinc/87/23/09/389872309.db2.gz GHYOSAUEBFEYAJ-NSHDSACASA-N 2 1 267.333 0.852 20 5 CCBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786793 389863220 /nfs/dbraw/zinc/86/32/20/389863220.db2.gz ZYMJDEUVGNLPKY-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1[N@H+]2C ZINC001224773122 805075248 /nfs/dbraw/zinc/07/52/48/805075248.db2.gz DXYJRYHRRJOTEL-BYNSBNAKSA-N 2 1 285.408 0.876 20 5 CCBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246558506 807287611 /nfs/dbraw/zinc/28/76/11/807287611.db2.gz LODRUYGETQGNFZ-FRRDWIJNSA-N 2 1 271.361 0.608 20 5 CCBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575627 807298481 /nfs/dbraw/zinc/29/84/81/807298481.db2.gz DSYMFJHTBXRCEZ-SCDSUCTJSA-N 2 1 279.340 0.777 20 5 CCBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575627 807298487 /nfs/dbraw/zinc/29/84/87/807298487.db2.gz DSYMFJHTBXRCEZ-SCDSUCTJSA-N 2 1 279.340 0.777 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001168977434 836075405 /nfs/dbraw/zinc/07/54/05/836075405.db2.gz JUBZVTDWAXGYRM-AAEUAGOBSA-N 2 1 271.361 0.478 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602611966 362712938 /nfs/dbraw/zinc/71/29/38/362712938.db2.gz OEOYYRKLBXQXES-AWEZNQCLSA-N 2 1 279.340 0.794 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602611966 362712941 /nfs/dbraw/zinc/71/29/41/362712941.db2.gz OEOYYRKLBXQXES-AWEZNQCLSA-N 2 1 279.340 0.794 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693046 352423752 /nfs/dbraw/zinc/42/37/52/352423752.db2.gz WGTNBIHIKOYDBN-DGCLKSJQSA-N 2 1 297.359 0.036 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247693046 352423757 /nfs/dbraw/zinc/42/37/57/352423757.db2.gz WGTNBIHIKOYDBN-DGCLKSJQSA-N 2 1 297.359 0.036 20 5 CCBDMP [NH3+]C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000581667339 359126426 /nfs/dbraw/zinc/12/64/26/359126426.db2.gz GEUIAKQREGFVTR-SNVBAGLBSA-N 2 1 253.306 0.462 20 5 CCBDMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563271016 291211141 /nfs/dbraw/zinc/21/11/41/291211141.db2.gz ITMDUZJHQKHQLD-CYBMUJFWSA-N 2 1 297.359 0.399 20 5 CCBDMP CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592984981 360008168 /nfs/dbraw/zinc/00/81/68/360008168.db2.gz YFXARLQUSWSWNH-JQWIXIFHSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000592984981 360008174 /nfs/dbraw/zinc/00/81/74/360008174.db2.gz YFXARLQUSWSWNH-JQWIXIFHSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000181443609 389686194 /nfs/dbraw/zinc/68/61/94/389686194.db2.gz LXWFEASULJXOOZ-WDEREUQCSA-N 2 1 267.333 0.864 20 5 CCBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057331 389872359 /nfs/dbraw/zinc/87/23/59/389872359.db2.gz GHYOSAUEBFEYAJ-LLVKDONJSA-N 2 1 267.333 0.852 20 5 CCBDMP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000430919663 389834799 /nfs/dbraw/zinc/83/47/99/389834799.db2.gz RIPAFJFVXDZNQV-KOLCDFICSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000430919663 389834803 /nfs/dbraw/zinc/83/48/03/389834803.db2.gz RIPAFJFVXDZNQV-KOLCDFICSA-N 2 1 253.306 0.460 20 5 CCBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923483436 640161930 /nfs/dbraw/zinc/16/19/30/640161930.db2.gz OOXQGIFOZJSTPV-SNVBAGLBSA-N 2 1 253.306 0.462 20 5 CCBDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978085 836077211 /nfs/dbraw/zinc/07/72/11/836077211.db2.gz OGBQNRDLXMWYJM-UONOGXRCSA-N 2 1 284.404 0.659 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420357661 285167703 /nfs/dbraw/zinc/16/77/03/285167703.db2.gz DUSOCUBVPUCNBX-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420357661 285167710 /nfs/dbraw/zinc/16/77/10/285167710.db2.gz DUSOCUBVPUCNBX-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420360733 389991329 /nfs/dbraw/zinc/99/13/29/389991329.db2.gz LJQRVTDSOZSHMO-SECBINFHSA-N 2 1 255.322 0.754 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357074686 144056836 /nfs/dbraw/zinc/05/68/36/144056836.db2.gz NCRRLVKYBUVMMW-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357074686 144056837 /nfs/dbraw/zinc/05/68/37/144056837.db2.gz NCRRLVKYBUVMMW-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357074673 144057129 /nfs/dbraw/zinc/05/71/29/144057129.db2.gz NCRRLVKYBUVMMW-GHMZBOCLSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357074673 144057131 /nfs/dbraw/zinc/05/71/31/144057131.db2.gz NCRRLVKYBUVMMW-GHMZBOCLSA-N 2 1 265.317 0.333 20 5 CCBDMP [NH3+]C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430612585 389813102 /nfs/dbraw/zinc/81/31/02/389813102.db2.gz RYPIBKXFHQGLCX-JTQLQIEISA-N 2 1 253.306 0.462 20 5 CCBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430612585 389813103 /nfs/dbraw/zinc/81/31/03/389813103.db2.gz RYPIBKXFHQGLCX-JTQLQIEISA-N 2 1 253.306 0.462 20 5 CCBDMP COc1ccc(OCC[N@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC000420360473 389991154 /nfs/dbraw/zinc/99/11/54/389991154.db2.gz WSKKZTATNWBFEA-SNVBAGLBSA-N 2 1 299.327 0.234 20 5 CCBDMP COc1ccc(OCC[N@@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC000420360473 389991157 /nfs/dbraw/zinc/99/11/57/389991157.db2.gz WSKKZTATNWBFEA-SNVBAGLBSA-N 2 1 299.327 0.234 20 5 CCBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359309 389991469 /nfs/dbraw/zinc/99/14/69/389991469.db2.gz VOHXSRLZHKGHSZ-SKDRFNHKSA-N 2 1 253.302 0.907 20 5 CCBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359309 389991470 /nfs/dbraw/zinc/99/14/70/389991470.db2.gz VOHXSRLZHKGHSZ-SKDRFNHKSA-N 2 1 253.302 0.907 20 5 CCBDMP C[N@H+](CCO)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000884826170 616102612 /nfs/dbraw/zinc/10/26/12/616102612.db2.gz MMCLJEHZQMLDQJ-UHFFFAOYSA-N 2 1 290.323 0.901 20 5 CCBDMP C[N@@H+](CCO)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000884826170 616102615 /nfs/dbraw/zinc/10/26/15/616102615.db2.gz MMCLJEHZQMLDQJ-UHFFFAOYSA-N 2 1 290.323 0.901 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C[NH3+] ZINC000923499383 640169394 /nfs/dbraw/zinc/16/93/94/640169394.db2.gz KDACMRKIAGRTAW-WDEREUQCSA-N 2 1 267.333 0.708 20 5 CCBDMP Nc1cc(NCC[NH+]2CCC([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161867958 802234393 /nfs/dbraw/zinc/23/43/93/802234393.db2.gz YJECHCZUXSJYFG-UHFFFAOYSA-N 2 1 280.332 0.407 20 5 CCBDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168972509 836090256 /nfs/dbraw/zinc/09/02/56/836090256.db2.gz NERFPVHGACNAQC-WOPDTQHZSA-N 2 1 287.360 0.692 20 5 CCBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000415056885 389654013 /nfs/dbraw/zinc/65/40/13/389654013.db2.gz OYVUBGXOVNZYCM-FUEXJSSKSA-N 2 1 265.313 0.859 20 5 CCBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000415056885 389654018 /nfs/dbraw/zinc/65/40/18/389654018.db2.gz OYVUBGXOVNZYCM-FUEXJSSKSA-N 2 1 265.313 0.859 20 5 CCBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352526547 389825836 /nfs/dbraw/zinc/82/58/36/389825836.db2.gz OVBFUYCBPGSGML-NSHDSACASA-N 2 1 267.333 0.995 20 5 CCBDMP [NH3+]CCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000357022019 274946206 /nfs/dbraw/zinc/94/62/06/274946206.db2.gz AKKPTAMEBWJBDR-UHFFFAOYSA-N 2 1 294.355 0.692 20 5 CCBDMP C[N@H+](CCC[NH3+])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923290689 616074210 /nfs/dbraw/zinc/07/42/10/616074210.db2.gz JDSFUQJYXWQMAF-GFCCVEGCSA-N 2 1 253.302 0.909 20 5 CCBDMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923290689 616074211 /nfs/dbraw/zinc/07/42/11/616074211.db2.gz JDSFUQJYXWQMAF-GFCCVEGCSA-N 2 1 253.302 0.909 20 5 CCBDMP COc1nc(NC(=[NH2+])NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001157094448 801298855 /nfs/dbraw/zinc/29/88/55/801298855.db2.gz PTPJJQHOLJSJOY-UHFFFAOYSA-N 2 1 283.292 0.069 20 5 CCBDMP C[NH+](C)/C=C/c1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786762 801871020 /nfs/dbraw/zinc/87/10/20/801871020.db2.gz JPKFWCWQFCFNBD-HOSRBBHYSA-N 3 1 294.359 0.958 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607733 807322066 /nfs/dbraw/zinc/32/20/66/807322066.db2.gz XIHQZENEZHTQOY-STQMWFEESA-N 2 1 282.388 0.459 20 5 CCBDMP [NH3+]C[C@]1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CN2CCC1CC2 ZINC001168987815 836102286 /nfs/dbraw/zinc/10/22/86/836102286.db2.gz KMBTXZPMIUEZKO-XBFCOCLRSA-N 2 1 282.388 0.445 20 5 CCBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038637 836112411 /nfs/dbraw/zinc/11/24/11/836112411.db2.gz JQEUSDNZRMMQPW-KBPBESRZSA-N 2 1 284.404 0.611 20 5 CCBDMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563271023 291211046 /nfs/dbraw/zinc/21/10/46/291211046.db2.gz ITMDUZJHQKHQLD-ZDUSSCGKSA-N 2 1 297.359 0.399 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430578049 389809486 /nfs/dbraw/zinc/80/94/86/389809486.db2.gz OYUYGHKLQHBGQW-UHFFFAOYSA-N 2 1 297.359 0.658 20 5 CCBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278853 582066643 /nfs/dbraw/zinc/06/66/43/582066643.db2.gz WIUJBLKKJJCBOW-SCRDCRAPSA-N 2 1 277.324 0.779 20 5 CCBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278853 582066644 /nfs/dbraw/zinc/06/66/44/582066644.db2.gz WIUJBLKKJJCBOW-SCRDCRAPSA-N 2 1 277.324 0.779 20 5 CCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334386 616133180 /nfs/dbraw/zinc/13/31/80/616133180.db2.gz HLIAXWRJBSIRME-WCQYABFASA-N 2 1 297.359 0.226 20 5 CCBDMP C[N@H+]1CC[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001167275229 790769564 /nfs/dbraw/zinc/76/95/64/790769564.db2.gz JVBVDYDVQDDQTJ-VIFPVBQESA-N 2 1 278.316 0.188 20 5 CCBDMP Nc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514360 801958130 /nfs/dbraw/zinc/95/81/30/801958130.db2.gz WBVSTICOUIZKND-CYBMUJFWSA-N 2 1 292.343 0.407 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607732 807322159 /nfs/dbraw/zinc/32/21/59/807322159.db2.gz XIHQZENEZHTQOY-QWHCGFSZSA-N 2 1 282.388 0.459 20 5 CCBDMP O=[N+]([O-])CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001120502621 857095940 /nfs/dbraw/zinc/09/59/40/857095940.db2.gz CNIRCZVFJIUXBQ-AWEZNQCLSA-N 2 1 279.340 0.620 20 5 CCBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342136857 355727544 /nfs/dbraw/zinc/72/75/44/355727544.db2.gz MKPADGAERQVWSR-SDDRHHMPSA-N 2 1 279.344 0.851 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000568884120 358714840 /nfs/dbraw/zinc/71/48/40/358714840.db2.gz HMGSXDJXDVUANT-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000568884120 358714844 /nfs/dbraw/zinc/71/48/44/358714844.db2.gz HMGSXDJXDVUANT-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000596424296 360889844 /nfs/dbraw/zinc/88/98/44/360889844.db2.gz GRXKDPAOHPLONG-UHFFFAOYSA-N 2 1 281.360 0.707 20 5 CCBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000596424296 360889849 /nfs/dbraw/zinc/88/98/49/360889849.db2.gz GRXKDPAOHPLONG-UHFFFAOYSA-N 2 1 281.360 0.707 20 5 CCBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH3+] ZINC000423184816 389550285 /nfs/dbraw/zinc/55/02/85/389550285.db2.gz NKTYPNWYHIHINY-VIFPVBQESA-N 2 1 266.301 0.860 20 5 CCBDMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905087633 615902352 /nfs/dbraw/zinc/90/23/52/615902352.db2.gz FQWHORJYCPOOOO-UHFFFAOYSA-N 2 1 294.355 0.344 20 5 CCBDMP [NH3+]CCC[NH2+]CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246458090 807254967 /nfs/dbraw/zinc/25/49/67/807254967.db2.gz SKAFDIHKDQAQAW-CQSZACIVSA-N 3 1 292.383 0.980 20 5 CCBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC[C@H]1N ZINC001254538417 808258683 /nfs/dbraw/zinc/25/86/83/808258683.db2.gz URCGURPYIKYSAZ-MVWJERBFSA-N 2 1 265.313 0.842 20 5 CCBDMP C[NH+]1CCN(c2ccccc2C[NH2+]CC[N+](=O)[O-])CC1 ZINC001352801493 925645852 /nfs/dbraw/zinc/64/58/52/925645852.db2.gz APTXIMIGRRQCIO-UHFFFAOYSA-N 2 1 278.356 0.805 20 5 CCBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000593730774 360142813 /nfs/dbraw/zinc/14/28/13/360142813.db2.gz FVHOOPSILFPQIV-AAEUAGOBSA-N 2 1 279.344 0.852 20 5 CCBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786800 389862999 /nfs/dbraw/zinc/86/29/99/389862999.db2.gz ZYMJDEUVGNLPKY-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420368729 389993396 /nfs/dbraw/zinc/99/33/96/389993396.db2.gz NZTFJHSSMKSLCU-CKYFFXLPSA-N 2 1 267.333 0.767 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566620834 390634108 /nfs/dbraw/zinc/63/41/08/390634108.db2.gz ZEMWWJJBOCDDJD-PHIMTYICSA-N 2 1 279.344 0.760 20 5 CCBDMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903499450 634582036 /nfs/dbraw/zinc/58/20/36/634582036.db2.gz VUWFPFCVGUBOOD-NXEZZACHSA-N 2 1 267.333 0.745 20 5 CCBDMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247506462 807465797 /nfs/dbraw/zinc/46/57/97/807465797.db2.gz CARMHOLCDIZNSI-SSDOTTSWSA-N 2 1 296.262 0.918 20 5 CCBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812653 359002964 /nfs/dbraw/zinc/00/29/64/359002964.db2.gz AFUPYLQZIPQJNI-NXEZZACHSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812653 359002969 /nfs/dbraw/zinc/00/29/69/359002969.db2.gz AFUPYLQZIPQJNI-NXEZZACHSA-N 2 1 253.306 0.603 20 5 CCBDMP O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000595901176 360697271 /nfs/dbraw/zinc/69/72/71/360697271.db2.gz COCWBFFCNUAERO-UHFFFAOYSA-N 2 1 295.339 0.678 20 5 CCBDMP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000573001852 390818884 /nfs/dbraw/zinc/81/88/84/390818884.db2.gz GMSZWOKZBOYSEH-UHFFFAOYSA-N 2 1 291.355 0.253 20 5 CCBDMP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000573001852 390818887 /nfs/dbraw/zinc/81/88/87/390818887.db2.gz GMSZWOKZBOYSEH-UHFFFAOYSA-N 2 1 291.355 0.253 20 5 CCBDMP Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC(=[NH2+])NCCCC[NH3+] ZINC001157096416 801299106 /nfs/dbraw/zinc/29/91/06/801299106.db2.gz JVAVRZRVKZJQHU-UHFFFAOYSA-N 2 1 282.304 0.212 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612653 807324958 /nfs/dbraw/zinc/32/49/58/807324958.db2.gz BUDLLLQITIONPQ-CRWXNKLISA-N 2 1 282.388 0.458 20 5 CCBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168977823 836075925 /nfs/dbraw/zinc/07/59/25/836075925.db2.gz MJGYCELQZGHFEU-OLZOCXBDSA-N 2 1 298.387 0.186 20 5 CCBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977825 836076574 /nfs/dbraw/zinc/07/65/74/836076574.db2.gz MJGYCELQZGHFEU-STQMWFEESA-N 2 1 298.387 0.186 20 5 CCBDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168972507 836090606 /nfs/dbraw/zinc/09/06/06/836090606.db2.gz NERFPVHGACNAQC-UTUOFQBUSA-N 2 1 287.360 0.692 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000360549520 357038822 /nfs/dbraw/zinc/03/88/22/357038822.db2.gz XOMKWTSPEIFKLL-LBPRGKRZSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000360549520 357038826 /nfs/dbraw/zinc/03/88/26/357038826.db2.gz XOMKWTSPEIFKLL-LBPRGKRZSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901124 360697797 /nfs/dbraw/zinc/69/77/97/360697797.db2.gz AIZBIEWJCHAJGJ-UHFFFAOYSA-N 2 1 295.339 0.678 20 5 CCBDMP Nc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000721985316 806033873 /nfs/dbraw/zinc/03/38/73/806033873.db2.gz JNIPZUZSBNZTSD-UHFFFAOYSA-N 2 1 280.332 0.407 20 5 CCBDMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001155362526 800959336 /nfs/dbraw/zinc/95/93/36/800959336.db2.gz GJFJDGDNQAQAKU-CYBMUJFWSA-N 2 1 291.355 0.849 20 5 CCBDMP [NH3+]C[C@@]1(Nc2cccc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160509835 801953790 /nfs/dbraw/zinc/95/37/90/801953790.db2.gz BFWLTVKVATVOGO-CYBMUJFWSA-N 2 1 277.328 0.825 20 5 CCBDMP C[NH+](C)Cc1ncccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225278707 805118538 /nfs/dbraw/zinc/11/85/38/805118538.db2.gz PHGMEIQSCORRQB-GFCCVEGCSA-N 2 1 296.391 0.506 20 5 CCBDMP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246400789 807241604 /nfs/dbraw/zinc/24/16/04/807241604.db2.gz HXTCCKMPLHSQBY-AXFHLTTASA-N 2 1 273.333 0.302 20 5 CCBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246499683 807266018 /nfs/dbraw/zinc/26/60/18/807266018.db2.gz UMXVPEBEKVFDSM-YPMHNXCESA-N 2 1 278.356 0.677 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006491 836094985 /nfs/dbraw/zinc/09/49/85/836094985.db2.gz YCUIQHLWSHTTKQ-RYUDHWBXSA-N 2 1 259.350 0.336 20 5 CCBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322398 349435958 /nfs/dbraw/zinc/43/59/58/349435958.db2.gz IDLXMVIZAPGEGW-QWRGUYRKSA-N 2 1 265.317 0.251 20 5 CCBDMP C[N@@H+](CCOCC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600735629 362050666 /nfs/dbraw/zinc/05/06/66/362050666.db2.gz MSFANHACUZJQFJ-UHFFFAOYSA-N 2 1 283.328 0.881 20 5 CCBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000351491846 389592459 /nfs/dbraw/zinc/59/24/59/389592459.db2.gz KFLLBMWQPBTBGY-MVWJERBFSA-N 2 1 265.317 0.460 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430623325 389813861 /nfs/dbraw/zinc/81/38/61/389813861.db2.gz MRSKRZZYPSUDBO-LLVKDONJSA-N 2 1 267.333 0.723 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430623325 389813864 /nfs/dbraw/zinc/81/38/64/389813864.db2.gz MRSKRZZYPSUDBO-LLVKDONJSA-N 2 1 267.333 0.723 20 5 CCBDMP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000430974283 389842832 /nfs/dbraw/zinc/84/28/32/389842832.db2.gz YGLAXTWZJGXHCX-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000430974283 389842833 /nfs/dbraw/zinc/84/28/33/389842833.db2.gz YGLAXTWZJGXHCX-ZJUUUORDSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000430974282 389842873 /nfs/dbraw/zinc/84/28/73/389842873.db2.gz YGLAXTWZJGXHCX-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000430974282 389842874 /nfs/dbraw/zinc/84/28/74/389842874.db2.gz YGLAXTWZJGXHCX-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923403904 616964814 /nfs/dbraw/zinc/96/48/14/616964814.db2.gz VNRKUHVOHWFKFG-AWEZNQCLSA-N 2 1 297.355 0.796 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1CC[NH3+] ZINC000903497266 634590584 /nfs/dbraw/zinc/59/05/84/634590584.db2.gz SEEDTFAAPSZBPU-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281838 640068538 /nfs/dbraw/zinc/06/85/38/640068538.db2.gz RBKLDSZMEJYRKX-GWCFXTLKSA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281838 640068540 /nfs/dbraw/zinc/06/85/40/640068540.db2.gz RBKLDSZMEJYRKX-GWCFXTLKSA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]CC[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923488531 640163745 /nfs/dbraw/zinc/16/37/45/640163745.db2.gz BVXNYOFVUAEWQD-JTQLQIEISA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616484 641116950 /nfs/dbraw/zinc/11/69/50/641116950.db2.gz PONBMAWXZUYBBY-QMTHXVAHSA-N 2 1 294.355 0.894 20 5 CCBDMP [NH3+]C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246585327 807305295 /nfs/dbraw/zinc/30/52/95/807305295.db2.gz NLHKUJGYHSMSSS-IACUBPJLSA-N 2 1 277.324 0.313 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006492 836096121 /nfs/dbraw/zinc/09/61/21/836096121.db2.gz YCUIQHLWSHTTKQ-VXGBXAGGSA-N 2 1 259.350 0.336 20 5 CCBDMP C[NH+]1CCN(C2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)CC1 ZINC001169042771 836113481 /nfs/dbraw/zinc/11/34/81/836113481.db2.gz FKFKVRVIJXGUQW-QWHCGFSZSA-N 2 1 282.388 0.363 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000601327183 362223136 /nfs/dbraw/zinc/22/31/36/362223136.db2.gz SDJBKXPOOJFSLI-NXEZZACHSA-N 2 1 253.306 0.318 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C[NH3+])CC1 ZINC000430662710 285248001 /nfs/dbraw/zinc/24/80/01/285248001.db2.gz ISMJBZHERFPURS-UHFFFAOYSA-N 2 1 253.306 0.499 20 5 CCBDMP [NH3+]C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430612586 389812985 /nfs/dbraw/zinc/81/29/85/389812985.db2.gz RYPIBKXFHQGLCX-SNVBAGLBSA-N 2 1 253.306 0.462 20 5 CCBDMP [NH3+]C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430612586 389812987 /nfs/dbraw/zinc/81/29/87/389812987.db2.gz RYPIBKXFHQGLCX-SNVBAGLBSA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000430974280 389842868 /nfs/dbraw/zinc/84/28/68/389842868.db2.gz YGLAXTWZJGXHCX-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000430974280 389842870 /nfs/dbraw/zinc/84/28/70/389842870.db2.gz YGLAXTWZJGXHCX-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000420358879 389991315 /nfs/dbraw/zinc/99/13/15/389991315.db2.gz VCHCSRAPXGYLLZ-LBPRGKRZSA-N 2 1 296.327 0.175 20 5 CCBDMP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000420412115 389998363 /nfs/dbraw/zinc/99/83/63/389998363.db2.gz SDBDDKFGFACJNN-GHMZBOCLSA-N 2 1 267.333 0.708 20 5 CCBDMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923403905 616964776 /nfs/dbraw/zinc/96/47/76/616964776.db2.gz VNRKUHVOHWFKFG-CQSZACIVSA-N 2 1 297.355 0.796 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283919 616981767 /nfs/dbraw/zinc/98/17/67/616981767.db2.gz ZIYGKXIPTREILK-AAEUAGOBSA-N 2 1 297.359 0.084 20 5 CCBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283919 616981769 /nfs/dbraw/zinc/98/17/69/616981769.db2.gz ZIYGKXIPTREILK-AAEUAGOBSA-N 2 1 297.359 0.084 20 5 CCBDMP [NH3+]CCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881708 634676240 /nfs/dbraw/zinc/67/62/40/634676240.db2.gz GLGKQTVOYIMJAM-UHFFFAOYSA-N 2 1 265.313 0.928 20 5 CCBDMP [NH3+]CCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881708 634676242 /nfs/dbraw/zinc/67/62/42/634676242.db2.gz GLGKQTVOYIMJAM-UHFFFAOYSA-N 2 1 265.313 0.928 20 5 CCBDMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000923479683 640159060 /nfs/dbraw/zinc/15/90/60/640159060.db2.gz RQTXAQCJOXNTMK-VIFPVBQESA-N 2 1 253.306 0.499 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877366906 646803717 /nfs/dbraw/zinc/80/37/17/646803717.db2.gz YHJBIKRNQYUYLR-XIVSLSHWSA-N 2 1 295.343 0.151 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877366906 646803723 /nfs/dbraw/zinc/80/37/23/646803723.db2.gz YHJBIKRNQYUYLR-XIVSLSHWSA-N 2 1 295.343 0.151 20 5 CCBDMP COc1ncnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157095904 801298720 /nfs/dbraw/zinc/29/87/20/801298720.db2.gz ACMVKRKHSRNAIK-UHFFFAOYSA-N 2 1 283.292 0.069 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612657 807324756 /nfs/dbraw/zinc/32/47/56/807324756.db2.gz BUDLLLQITIONPQ-MQYQWHSLSA-N 2 1 282.388 0.458 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246623639 807329911 /nfs/dbraw/zinc/32/99/11/807329911.db2.gz BDPVOSPAIRMPKV-FRRDWIJNSA-N 2 1 268.361 0.069 20 5 CCBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000071150695 348904415 /nfs/dbraw/zinc/90/44/15/348904415.db2.gz RYEGYGUUYVLMGI-UHFFFAOYSA-N 2 1 292.383 0.974 20 5 CCBDMP CCO[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000593737356 360144601 /nfs/dbraw/zinc/14/46/01/360144601.db2.gz YQWLJADFINEOMB-ZYHUDNBSSA-N 2 1 283.332 0.087 20 5 CCBDMP CCO[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000593737356 360144605 /nfs/dbraw/zinc/14/46/05/360144605.db2.gz YQWLJADFINEOMB-ZYHUDNBSSA-N 2 1 283.332 0.087 20 5 CCBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000351498884 389595653 /nfs/dbraw/zinc/59/56/53/389595653.db2.gz WLKFSQQQMOHJNT-HBNTYKKESA-N 2 1 265.317 0.460 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573961 389809476 /nfs/dbraw/zinc/80/94/76/389809476.db2.gz NIYQPBYHVADECB-WDEREUQCSA-N 2 1 267.333 0.851 20 5 CCBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C[NH3+] ZINC000430590951 389810844 /nfs/dbraw/zinc/81/08/44/389810844.db2.gz MJROTVIRVDYXRO-UHFFFAOYSA-N 2 1 255.322 0.708 20 5 CCBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420377336 389994189 /nfs/dbraw/zinc/99/41/89/389994189.db2.gz WDXPTFNGGCOGFZ-FOGDFJRCSA-N 2 1 267.333 0.767 20 5 CCBDMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001155374178 800960686 /nfs/dbraw/zinc/96/06/86/800960686.db2.gz XKXXWRPQCWLESP-LBPRGKRZSA-N 2 1 291.355 0.849 20 5 CCBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001168977436 836075454 /nfs/dbraw/zinc/07/54/54/836075454.db2.gz JUBZVTDWAXGYRM-WCQYABFASA-N 2 1 271.361 0.478 20 5 CCBDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168977824 836076263 /nfs/dbraw/zinc/07/62/63/836076263.db2.gz MJGYCELQZGHFEU-QWHCGFSZSA-N 2 1 298.387 0.186 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457337 920206973 /nfs/dbraw/zinc/20/69/73/920206973.db2.gz LFKYRXIAQKJOCV-KBPBESRZSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457337 920206985 /nfs/dbraw/zinc/20/69/85/920206985.db2.gz LFKYRXIAQKJOCV-KBPBESRZSA-N 2 1 295.339 0.284 20 5 CCBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000351498882 356001921 /nfs/dbraw/zinc/00/19/21/356001921.db2.gz WLKFSQQQMOHJNT-GARJFASQSA-N 2 1 265.317 0.460 20 5 CCBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000415091879 389657512 /nfs/dbraw/zinc/65/75/12/389657512.db2.gz DGOOXDGBHBVVPL-NSHDSACASA-N 2 1 251.286 0.673 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420357662 389990973 /nfs/dbraw/zinc/99/09/73/389990973.db2.gz DUSOCUBVPUCNBX-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420357662 389990976 /nfs/dbraw/zinc/99/09/76/389990976.db2.gz DUSOCUBVPUCNBX-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000583755701 390309194 /nfs/dbraw/zinc/30/91/94/390309194.db2.gz BJDROGGSXKJMMF-TXEJJXNPSA-N 2 1 279.344 0.723 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357071487 144056189 /nfs/dbraw/zinc/05/61/89/144056189.db2.gz JQVNEEOZSBLVAK-QWRGUYRKSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357071487 144056190 /nfs/dbraw/zinc/05/61/90/144056190.db2.gz JQVNEEOZSBLVAK-QWRGUYRKSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357071489 144056258 /nfs/dbraw/zinc/05/62/58/144056258.db2.gz JQVNEEOZSBLVAK-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357071489 144056260 /nfs/dbraw/zinc/05/62/60/144056260.db2.gz JQVNEEOZSBLVAK-WDEREUQCSA-N 2 1 265.317 0.333 20 5 CCBDMP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060895 279384624 /nfs/dbraw/zinc/38/46/24/279384624.db2.gz HOSKSVPMVJMTHW-SNVBAGLBSA-N 2 1 267.333 0.889 20 5 CCBDMP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281840 640067564 /nfs/dbraw/zinc/06/75/64/640067564.db2.gz RBKLDSZMEJYRKX-MFKMUULPSA-N 2 1 265.313 0.909 20 5 CCBDMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923281840 640067569 /nfs/dbraw/zinc/06/75/69/640067569.db2.gz RBKLDSZMEJYRKX-MFKMUULPSA-N 2 1 265.313 0.909 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C[NH3+] ZINC000923499380 640169850 /nfs/dbraw/zinc/16/98/50/640169850.db2.gz KDACMRKIAGRTAW-MNOVXSKESA-N 2 1 267.333 0.708 20 5 CCBDMP C[NH+](C)/C=C/c1cc(N[C@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786763 801872028 /nfs/dbraw/zinc/87/20/28/801872028.db2.gz JPKFWCWQFCFNBD-PZBABLGHSA-N 3 1 294.359 0.958 20 5 CCBDMP [NH3+]C1CC[NH+](CCNc2cccc([N+](=O)[O-])n2)CC1 ZINC001161867648 802234823 /nfs/dbraw/zinc/23/48/23/802234823.db2.gz UMLZKNBIYSCBLD-UHFFFAOYSA-N 2 1 265.317 0.825 20 5 CCBDMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970637 836090414 /nfs/dbraw/zinc/09/04/14/836090414.db2.gz HXTCCKMPLHSQBY-OUAUKWLOSA-N 2 1 273.333 0.302 20 5 CCBDMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006490 836094964 /nfs/dbraw/zinc/09/49/64/836094964.db2.gz YCUIQHLWSHTTKQ-NWDGAFQWSA-N 2 1 259.350 0.336 20 5 CCBDMP [NH3+]C[C@]1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CN2CCC1CC2 ZINC001168987814 836102549 /nfs/dbraw/zinc/10/25/49/836102549.db2.gz KMBTXZPMIUEZKO-UBHSHLNASA-N 2 1 282.388 0.445 20 5 CCBDMP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000430974281 389842685 /nfs/dbraw/zinc/84/26/85/389842685.db2.gz YGLAXTWZJGXHCX-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1[NH3+] ZINC000430974281 389842689 /nfs/dbraw/zinc/84/26/89/389842689.db2.gz YGLAXTWZJGXHCX-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP COc1ccc(OCC[N@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC000420360468 389991528 /nfs/dbraw/zinc/99/15/28/389991528.db2.gz WSKKZTATNWBFEA-JTQLQIEISA-N 2 1 299.327 0.234 20 5 CCBDMP COc1ccc(OCC[N@@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC000420360468 389991529 /nfs/dbraw/zinc/99/15/29/389991529.db2.gz WSKKZTATNWBFEA-JTQLQIEISA-N 2 1 299.327 0.234 20 5 CCBDMP [NH3+]CCOCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000357108688 144061235 /nfs/dbraw/zinc/06/12/35/144061235.db2.gz UOCFLAZRNOCBTP-UHFFFAOYSA-N 2 1 265.313 0.928 20 5 CCBDMP [NH3+]CCOCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000357108688 144061236 /nfs/dbraw/zinc/06/12/36/144061236.db2.gz UOCFLAZRNOCBTP-UHFFFAOYSA-N 2 1 265.313 0.928 20 5 CCBDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551704 523976512 /nfs/dbraw/zinc/97/65/12/523976512.db2.gz IEUMJCLQQCGQGR-CYBMUJFWSA-N 2 1 279.344 0.819 20 5 CCBDMP C[N@H+]1CC[C@@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551704 523976514 /nfs/dbraw/zinc/97/65/14/523976514.db2.gz IEUMJCLQQCGQGR-CYBMUJFWSA-N 2 1 279.344 0.819 20 5 CCBDMP C[NH+]1CC[C@@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551704 523976518 /nfs/dbraw/zinc/97/65/18/523976518.db2.gz IEUMJCLQQCGQGR-CYBMUJFWSA-N 2 1 279.344 0.819 20 5 CCBDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551704 523976521 /nfs/dbraw/zinc/97/65/21/523976521.db2.gz IEUMJCLQQCGQGR-CYBMUJFWSA-N 2 1 279.344 0.819 20 5 CCBDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923413839 614550616 /nfs/dbraw/zinc/55/06/16/614550616.db2.gz IOYQFXXITDYMMZ-GFCCVEGCSA-N 2 1 297.359 0.226 20 5 CCBDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000923413839 614550618 /nfs/dbraw/zinc/55/06/18/614550618.db2.gz IOYQFXXITDYMMZ-GFCCVEGCSA-N 2 1 297.359 0.226 20 5 CCBDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923379246 616943209 /nfs/dbraw/zinc/94/32/09/616943209.db2.gz ZXPYGGSLGUTHKA-GFCCVEGCSA-N 2 1 297.355 0.876 20 5 CCBDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923379246 616943213 /nfs/dbraw/zinc/94/32/13/616943213.db2.gz ZXPYGGSLGUTHKA-GFCCVEGCSA-N 2 1 297.355 0.876 20 5 CCBDMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000903843288 634666023 /nfs/dbraw/zinc/66/60/23/634666023.db2.gz HMTPFRHDCIBINE-DCAQKATOSA-N 2 1 265.317 0.603 20 5 CCBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036523 836110487 /nfs/dbraw/zinc/11/04/87/836110487.db2.gz GIAAVTQZLIVKQL-WUHRBBMRSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036523 836110489 /nfs/dbraw/zinc/11/04/89/836110489.db2.gz GIAAVTQZLIVKQL-WUHRBBMRSA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036523 836110491 /nfs/dbraw/zinc/11/04/91/836110491.db2.gz GIAAVTQZLIVKQL-WUHRBBMRSA-N 2 1 253.346 0.925 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457343 920206200 /nfs/dbraw/zinc/20/62/00/920206200.db2.gz LFKYRXIAQKJOCV-ZIAGYGMSSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457343 920206207 /nfs/dbraw/zinc/20/62/07/920206207.db2.gz LFKYRXIAQKJOCV-ZIAGYGMSSA-N 2 1 295.339 0.284 20 5 CCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000601326124 362221967 /nfs/dbraw/zinc/22/19/67/362221967.db2.gz KHDOIYTVRMZHEG-NXEZZACHSA-N 2 1 253.306 0.318 20 5 CCBDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])n1 ZINC000603428578 363127427 /nfs/dbraw/zinc/12/74/27/363127427.db2.gz JNFKJAVHYRYMRQ-PHIMTYICSA-N 2 1 279.344 0.760 20 5 CCBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352519368 389824359 /nfs/dbraw/zinc/82/43/59/389824359.db2.gz OEAOGVUQZZGTTF-LLVKDONJSA-N 2 1 267.333 0.995 20 5 CCBDMP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000435611172 389959144 /nfs/dbraw/zinc/95/91/44/389959144.db2.gz QITHFYQZVQTBOQ-NSHDSACASA-N 2 1 267.333 0.865 20 5 CCBDMP Cn1cc[nH+]c1N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC001262573206 809350762 /nfs/dbraw/zinc/35/07/62/809350762.db2.gz PHMDLMJXVRWJCA-UHFFFAOYSA-N 2 1 253.306 0.255 20 5 CCBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000420362876 389992224 /nfs/dbraw/zinc/99/22/24/389992224.db2.gz ZORSGBDMHCTMEA-LLVKDONJSA-N 2 1 269.301 0.225 20 5 CCBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000420362876 389992226 /nfs/dbraw/zinc/99/22/26/389992226.db2.gz ZORSGBDMHCTMEA-LLVKDONJSA-N 2 1 269.301 0.225 20 5 CCBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278848 582066576 /nfs/dbraw/zinc/06/65/76/582066576.db2.gz WIUJBLKKJJCBOW-MBNYWOFBSA-N 2 1 277.324 0.779 20 5 CCBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278848 582066578 /nfs/dbraw/zinc/06/65/78/582066578.db2.gz WIUJBLKKJJCBOW-MBNYWOFBSA-N 2 1 277.324 0.779 20 5 CCBDMP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616482 641116735 /nfs/dbraw/zinc/11/67/35/641116735.db2.gz PONBMAWXZUYBBY-HZMBPMFUSA-N 2 1 294.355 0.894 20 5 CCBDMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457339 920206653 /nfs/dbraw/zinc/20/66/53/920206653.db2.gz LFKYRXIAQKJOCV-KGLIPLIRSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457339 920206669 /nfs/dbraw/zinc/20/66/69/920206669.db2.gz LFKYRXIAQKJOCV-KGLIPLIRSA-N 2 1 295.339 0.284 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243708 351163889 /nfs/dbraw/zinc/16/38/89/351163889.db2.gz MUBZHDWDLOZBIH-LLVKDONJSA-N 2 1 267.333 0.675 20 5 CCBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243708 351163892 /nfs/dbraw/zinc/16/38/92/351163892.db2.gz MUBZHDWDLOZBIH-LLVKDONJSA-N 2 1 267.333 0.675 20 5 CCBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000581667338 336125112 /nfs/dbraw/zinc/12/51/12/336125112.db2.gz GEUIAKQREGFVTR-JTQLQIEISA-N 2 1 253.306 0.462 20 5 CCBDMP C[NH+]1CCN([C@@H](C[NH2+]CC[N+](=O)[O-])c2cccs2)CC1 ZINC000899859629 616246526 /nfs/dbraw/zinc/24/65/26/616246526.db2.gz LODBHLHHRWITJS-LBPRGKRZSA-N 2 1 298.412 0.903 20 5 CCBDMP [NH3+]CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843356693 643037531 /nfs/dbraw/zinc/03/75/31/643037531.db2.gz VXJAPKCWJNZWPZ-UHFFFAOYSA-N 2 1 294.355 0.692 20 5 CCBDMP C[NH+](C)/C=C/c1cc(-n2nncc2C[NH3+])ncc1[N+](=O)[O-] ZINC001158428101 801646393 /nfs/dbraw/zinc/64/63/93/801646393.db2.gz OTRGLARMNLNEJI-ONEGZZNKSA-N 2 1 289.299 0.562 20 5 CCBDMP O=[N+]([O-])CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353286294 925783563 /nfs/dbraw/zinc/78/35/63/925783563.db2.gz AIIDSQOLSZRDAG-AWEZNQCLSA-N 2 1 279.340 0.490 20 5 CCBDMP C[C@]1(C[NH3+])CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000261800377 137020460 /nfs/dbraw/zinc/02/04/60/137020460.db2.gz VWVLABMOYMUFGM-LLVKDONJSA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@]1(C[NH3+])CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000261800377 137020461 /nfs/dbraw/zinc/02/04/61/137020461.db2.gz VWVLABMOYMUFGM-LLVKDONJSA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630904 350829033 /nfs/dbraw/zinc/82/90/33/350829033.db2.gz VWDVOXROBOQNKQ-MWLCHTKSSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630904 350829038 /nfs/dbraw/zinc/82/90/38/350829038.db2.gz VWDVOXROBOQNKQ-MWLCHTKSSA-N 2 1 292.339 0.863 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000360549519 357039155 /nfs/dbraw/zinc/03/91/55/357039155.db2.gz XOMKWTSPEIFKLL-GFCCVEGCSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000360549519 357039158 /nfs/dbraw/zinc/03/91/58/357039158.db2.gz XOMKWTSPEIFKLL-GFCCVEGCSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595901828 360697676 /nfs/dbraw/zinc/69/76/76/360697676.db2.gz KTOWRYXANYICSG-UHFFFAOYSA-N 2 1 295.339 0.678 20 5 CCBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573959 389809117 /nfs/dbraw/zinc/80/91/17/389809117.db2.gz NIYQPBYHVADECB-MNOVXSKESA-N 2 1 267.333 0.851 20 5 CCBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420360747 389991497 /nfs/dbraw/zinc/99/14/97/389991497.db2.gz LJQRVTDSOZSHMO-VIFPVBQESA-N 2 1 255.322 0.754 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283924 616997859 /nfs/dbraw/zinc/99/78/59/616997859.db2.gz ZIYGKXIPTREILK-YPMHNXCESA-N 2 1 297.359 0.084 20 5 CCBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000923283924 616997868 /nfs/dbraw/zinc/99/78/68/616997868.db2.gz ZIYGKXIPTREILK-YPMHNXCESA-N 2 1 297.359 0.084 20 5 CCBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578029 807299788 /nfs/dbraw/zinc/29/97/88/807299788.db2.gz DSYMFJHTBXRCEZ-OSMZGAPFSA-N 2 1 279.340 0.777 20 5 CCBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578029 807299795 /nfs/dbraw/zinc/29/97/95/807299795.db2.gz DSYMFJHTBXRCEZ-OSMZGAPFSA-N 2 1 279.340 0.777 20 5 CCBDMP C[N@H+]1[C@@H]2C[C@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623723 815347733 /nfs/dbraw/zinc/34/77/33/815347733.db2.gz QBCOGBHSXVADIA-YUTCNCBUSA-N 2 1 255.382 0.904 20 5 CCBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246558511 840013740 /nfs/dbraw/zinc/01/37/40/840013740.db2.gz LODRUYGETQGNFZ-YNEHKIRRSA-N 2 1 271.361 0.608 20 5 CCBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000351491848 389592435 /nfs/dbraw/zinc/59/24/35/389592435.db2.gz KFLLBMWQPBTBGY-ZMLRMANQSA-N 2 1 265.317 0.460 20 5 CCBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929772176 614998690 /nfs/dbraw/zinc/99/86/90/614998690.db2.gz XEYILJCLUIIQGQ-GFCCVEGCSA-N 2 1 259.350 0.696 20 5 CCBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929772176 614998693 /nfs/dbraw/zinc/99/86/93/614998693.db2.gz XEYILJCLUIIQGQ-GFCCVEGCSA-N 2 1 259.350 0.696 20 5 CCBDMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000903843150 634665937 /nfs/dbraw/zinc/66/59/37/634665937.db2.gz DCHIOHUDFJRISD-AXFHLTTASA-N 2 1 265.317 0.603 20 5 CCBDMP Nc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513060 801956231 /nfs/dbraw/zinc/95/62/31/801956231.db2.gz JLUMPDZMZFMVLZ-ZDUSSCGKSA-N 2 1 292.343 0.407 20 5 CCBDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036522 836110555 /nfs/dbraw/zinc/11/05/55/836110555.db2.gz GIAAVTQZLIVKQL-RVMXOQNASA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036522 836110557 /nfs/dbraw/zinc/11/05/57/836110557.db2.gz GIAAVTQZLIVKQL-RVMXOQNASA-N 2 1 253.346 0.925 20 5 CCBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036522 836110563 /nfs/dbraw/zinc/11/05/63/836110563.db2.gz GIAAVTQZLIVKQL-RVMXOQNASA-N 2 1 253.346 0.925 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638110 840218834 /nfs/dbraw/zinc/21/88/34/840218834.db2.gz AURBZLFIEXIHMR-FRRDWIJNSA-N 2 1 268.361 0.069 20 5 CCBDMP O=[N+]([O-])CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001120502622 857096974 /nfs/dbraw/zinc/09/69/74/857096974.db2.gz CNIRCZVFJIUXBQ-CQSZACIVSA-N 2 1 279.340 0.620 20 5 CCBDMP C[C@@H]1C[N@H+](CCCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC001353279124 925779735 /nfs/dbraw/zinc/77/97/35/925779735.db2.gz ZCMXNLBNEHRSCY-TXEJJXNPSA-N 2 1 259.350 0.742 20 5 CCBDMP O=[N+]([O-])CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353286295 925783345 /nfs/dbraw/zinc/78/33/45/925783345.db2.gz AIIDSQOLSZRDAG-CQSZACIVSA-N 2 1 279.340 0.490 20 5 CCBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[NH2+]CCO1 ZINC000415091454 389657346 /nfs/dbraw/zinc/65/73/46/389657346.db2.gz CPXNQZPRTBSSKU-ZDUSSCGKSA-N 2 1 265.313 0.981 20 5 CCBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929772178 614998941 /nfs/dbraw/zinc/99/89/41/614998941.db2.gz XEYILJCLUIIQGQ-LBPRGKRZSA-N 2 1 259.350 0.696 20 5 CCBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929772178 614998945 /nfs/dbraw/zinc/99/89/45/614998945.db2.gz XEYILJCLUIIQGQ-LBPRGKRZSA-N 2 1 259.350 0.696 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607730 807321649 /nfs/dbraw/zinc/32/16/49/807321649.db2.gz XIHQZENEZHTQOY-CHWSQXEVSA-N 2 1 282.388 0.459 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246623641 807330568 /nfs/dbraw/zinc/33/05/68/807330568.db2.gz BDPVOSPAIRMPKV-JHJVBQTASA-N 2 1 268.361 0.069 20 5 CCBDMP [NH3+]Cc1ncn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n1 ZINC001168754565 819161200 /nfs/dbraw/zinc/16/12/00/819161200.db2.gz QUUXMMUAPBXBCV-UHFFFAOYSA-N 2 1 260.257 0.237 20 5 CCBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457341 920206851 /nfs/dbraw/zinc/20/68/51/920206851.db2.gz LFKYRXIAQKJOCV-UONOGXRCSA-N 2 1 295.339 0.284 20 5 CCBDMP C[N@H+]1CC[C@@](O)(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457341 920206860 /nfs/dbraw/zinc/20/68/60/920206860.db2.gz LFKYRXIAQKJOCV-UONOGXRCSA-N 2 1 295.339 0.284 20 5 CCBDMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131788863 350287489 /nfs/dbraw/zinc/28/74/89/350287489.db2.gz KKXAEKVKXGRBTD-VHSXEESVSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131788863 350287494 /nfs/dbraw/zinc/28/74/94/350287494.db2.gz KKXAEKVKXGRBTD-VHSXEESVSA-N 2 1 292.339 0.863 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563215770 291206737 /nfs/dbraw/zinc/20/67/37/291206737.db2.gz ZBFUGBOAAKCFLW-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563215770 291206738 /nfs/dbraw/zinc/20/67/38/291206738.db2.gz ZBFUGBOAAKCFLW-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP C[NH2+]C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430937478 389837463 /nfs/dbraw/zinc/83/74/63/389837463.db2.gz CCBJRGHGPUUYQU-SNVBAGLBSA-N 2 1 253.306 0.333 20 5 CCBDMP C[NH2+]C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430937478 389837465 /nfs/dbraw/zinc/83/74/65/389837465.db2.gz CCBJRGHGPUUYQU-SNVBAGLBSA-N 2 1 253.306 0.333 20 5 CCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763505 389861591 /nfs/dbraw/zinc/86/15/91/389861591.db2.gz SDVNBRSAWYEQSS-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786787 389863141 /nfs/dbraw/zinc/86/31/41/389863141.db2.gz ZYMJDEUVGNLPKY-NXEZZACHSA-N 2 1 253.306 0.460 20 5 CCBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108201 130265754 /nfs/dbraw/zinc/26/57/54/130265754.db2.gz QTOQPAGZANGTHG-CYZMBNFOSA-N 2 1 279.344 0.851 20 5 CCBDMP CC1([NH3+])CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000592984064 360008281 /nfs/dbraw/zinc/00/82/81/360008281.db2.gz GHZKEYOHXXYTRD-UHFFFAOYSA-N 2 1 253.306 0.605 20 5 CCBDMP C[C@@H]([NH3+])C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000430930415 389836419 /nfs/dbraw/zinc/83/64/19/389836419.db2.gz ANPXUKJNYKUBLR-SECBINFHSA-N 2 1 267.333 0.888 20 5 CCBDMP C[NH2+]C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430937477 389837501 /nfs/dbraw/zinc/83/75/01/389837501.db2.gz CCBJRGHGPUUYQU-JTQLQIEISA-N 2 1 253.306 0.333 20 5 CCBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430937477 389837502 /nfs/dbraw/zinc/83/75/02/389837502.db2.gz CCBJRGHGPUUYQU-JTQLQIEISA-N 2 1 253.306 0.333 20 5 CCBDMP Nc1cc([N+](=O)[O-])cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160520261 801960037 /nfs/dbraw/zinc/96/00/37/801960037.db2.gz PQPYYDPLGVNGFW-CYBMUJFWSA-N 2 1 292.343 0.407 20 5 CCBDMP [NH3+]C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001246580681 807304341 /nfs/dbraw/zinc/30/43/41/807304341.db2.gz NLHKUJGYHSMSSS-UBHSHLNASA-N 2 1 277.324 0.313 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001168977437 836075004 /nfs/dbraw/zinc/07/50/04/836075004.db2.gz JUBZVTDWAXGYRM-YPMHNXCESA-N 2 1 271.361 0.478 20 5 CCBDMP N[C@@H](CCC[NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170901323 839545104 /nfs/dbraw/zinc/54/51/04/839545104.db2.gz ZGQRUEKRFQHPKU-GFCCVEGCSA-N 2 1 265.317 0.634 20 5 CCBDMP CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592489161 359855712 /nfs/dbraw/zinc/85/57/12/359855712.db2.gz RMTZUSCZXHTCGZ-WDEREUQCSA-N 2 1 267.333 0.851 20 5 CCBDMP CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1[NH3+] ZINC000592489161 359855719 /nfs/dbraw/zinc/85/57/19/359855719.db2.gz RMTZUSCZXHTCGZ-WDEREUQCSA-N 2 1 267.333 0.851 20 5 CCBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862758 389701960 /nfs/dbraw/zinc/70/19/60/389701960.db2.gz QHYBHSXWMCXQDN-VHSXEESVSA-N 2 1 253.306 0.460 20 5 CCBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420369913 389993900 /nfs/dbraw/zinc/99/39/00/389993900.db2.gz VGEXBRDDVKRHSL-JTQLQIEISA-N 2 1 255.322 0.754 20 5 CCBDMP C[N@@H+]1CC[C@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551705 523994994 /nfs/dbraw/zinc/99/49/94/523994994.db2.gz IEUMJCLQQCGQGR-ZDUSSCGKSA-N 2 1 279.344 0.819 20 5 CCBDMP C[N@H+]1CC[C@]2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551705 523995000 /nfs/dbraw/zinc/99/50/00/523995000.db2.gz IEUMJCLQQCGQGR-ZDUSSCGKSA-N 2 1 279.344 0.819 20 5 CCBDMP C[NH+]1CC[C@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551705 523995003 /nfs/dbraw/zinc/99/50/03/523995003.db2.gz IEUMJCLQQCGQGR-ZDUSSCGKSA-N 2 1 279.344 0.819 20 5 CCBDMP C[NH+]1CC[C@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000366551705 523995007 /nfs/dbraw/zinc/99/50/07/523995007.db2.gz IEUMJCLQQCGQGR-ZDUSSCGKSA-N 2 1 279.344 0.819 20 5 CCBDMP C[NH+](C)CCCOc1cnccc1C[NH2+]CC[N+](=O)[O-] ZINC000905261886 615884774 /nfs/dbraw/zinc/88/47/74/615884774.db2.gz UDNVCBQWJIQVLR-UHFFFAOYSA-N 2 1 282.344 0.778 20 5 CCBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638121 840218767 /nfs/dbraw/zinc/21/87/67/840218767.db2.gz AURBZLFIEXIHMR-UPJWGTAASA-N 2 1 268.361 0.069 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630994 350829427 /nfs/dbraw/zinc/82/94/27/350829427.db2.gz VWDVOXROBOQNKQ-ONGXEEELSA-N 2 1 292.339 0.863 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000168630994 350829429 /nfs/dbraw/zinc/82/94/29/350829429.db2.gz VWDVOXROBOQNKQ-ONGXEEELSA-N 2 1 292.339 0.863 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568651 138001147 /nfs/dbraw/zinc/00/11/47/138001147.db2.gz KVXHBHGLZJBCBA-GFCCVEGCSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360568651 138001148 /nfs/dbraw/zinc/00/11/48/138001148.db2.gz KVXHBHGLZJBCBA-GFCCVEGCSA-N 2 1 265.317 0.477 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000568884121 358715301 /nfs/dbraw/zinc/71/53/01/358715301.db2.gz HMGSXDJXDVUANT-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000568884121 358715303 /nfs/dbraw/zinc/71/53/03/358715303.db2.gz HMGSXDJXDVUANT-ZDUSSCGKSA-N 2 1 279.344 0.867 20 5 CCBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH3+] ZINC000423196097 389551668 /nfs/dbraw/zinc/55/16/68/389551668.db2.gz YUEWYUXSLQYFAW-VIFPVBQESA-N 2 1 266.301 0.860 20 5 CCBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420377335 389994414 /nfs/dbraw/zinc/99/44/14/389994414.db2.gz WDXPTFNGGCOGFZ-CKYFFXLPSA-N 2 1 267.333 0.767 20 5 CCBDMP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000420412118 389998421 /nfs/dbraw/zinc/99/84/21/389998421.db2.gz SDBDDKFGFACJNN-MNOVXSKESA-N 2 1 267.333 0.708 20 5 CCBDMP C[C@@]1(C[NH3+])CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000261602466 279158609 /nfs/dbraw/zinc/15/86/09/279158609.db2.gz ABNIJOLBDVMPHI-NSHDSACASA-N 2 1 253.306 0.462 20 5 CCBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000261602466 279158612 /nfs/dbraw/zinc/15/86/12/279158612.db2.gz ABNIJOLBDVMPHI-NSHDSACASA-N 2 1 253.306 0.462 20 5 CCBDMP O=[N+]([O-])CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000791054594 581206298 /nfs/dbraw/zinc/20/62/98/581206298.db2.gz VQLPANHWMVYSSK-UHFFFAOYSA-N 2 1 257.334 0.307 20 5 CCBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903883177 634676681 /nfs/dbraw/zinc/67/66/81/634676681.db2.gz UQPROYHODCABOQ-UHFFFAOYSA-N 2 1 290.367 0.858 20 5 CCBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903883177 634676687 /nfs/dbraw/zinc/67/66/87/634676687.db2.gz UQPROYHODCABOQ-UHFFFAOYSA-N 2 1 290.367 0.858 20 5 CCBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812656 359002154 /nfs/dbraw/zinc/00/21/54/359002154.db2.gz AFUPYLQZIPQJNI-ZJUUUORDSA-N 2 1 253.306 0.603 20 5 CCBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573812656 359002159 /nfs/dbraw/zinc/00/21/59/359002159.db2.gz AFUPYLQZIPQJNI-ZJUUUORDSA-N 2 1 253.306 0.603 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563215731 291206905 /nfs/dbraw/zinc/20/69/05/291206905.db2.gz ZBFUGBOAAKCFLW-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563215731 291206906 /nfs/dbraw/zinc/20/69/06/291206906.db2.gz ZBFUGBOAAKCFLW-CYBMUJFWSA-N 2 1 279.344 0.867 20 5 CCBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000351498885 389595693 /nfs/dbraw/zinc/59/56/93/389595693.db2.gz WLKFSQQQMOHJNT-OUAUKWLOSA-N 2 1 265.317 0.460 20 5 CCBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859750 389701084 /nfs/dbraw/zinc/70/10/84/389701084.db2.gz DKCDNKYIUVBSEK-UWVGGRQHSA-N 2 1 253.306 0.460 20 5 CCBDMP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000420398577 389996855 /nfs/dbraw/zinc/99/68/55/389996855.db2.gz GZCJRNMYECDOOB-MNOVXSKESA-N 2 1 267.333 0.708 20 5 CCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334383 616133090 /nfs/dbraw/zinc/13/30/90/616133090.db2.gz HLIAXWRJBSIRME-DGCLKSJQSA-N 2 1 297.359 0.226 20 5 CCBDMP COCC[N@@H+](CC[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000931379142 617023342 /nfs/dbraw/zinc/02/33/42/617023342.db2.gz IPEBICBQFBAPRV-UHFFFAOYSA-N 2 1 259.350 0.553 20 5 CCBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C[NH3+] ZINC000923495587 640162501 /nfs/dbraw/zinc/16/25/01/640162501.db2.gz CNBOKHMZXXDQFI-WDEREUQCSA-N 2 1 267.333 0.708 20 5 CCBDMP [NH3+]CC[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923488532 640164055 /nfs/dbraw/zinc/16/40/55/640164055.db2.gz BVXNYOFVUAEWQD-SNVBAGLBSA-N 2 1 253.306 0.462 20 5 CCBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246543356 839948899 /nfs/dbraw/zinc/94/88/99/839948899.db2.gz MXYHMPVCYVUKII-XQQFMLRXSA-N 2 1 271.361 0.608 20 5 CCBDMP