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 349754128 /nfs/dbraw/zinc/75/41/28/349754128.db2.gz DUSIGPAMUWIRPY-UHFFFAOYSA-N 2 0 278.356 0.932 20 5 CCBDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000226874602 352034890 /nfs/dbraw/zinc/03/48/90/352034890.db2.gz GZDFZVCTQONGLA-NQBHXWOUSA-N 2 0 297.359 0.225 20 5 CCBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000351491845 389592794 /nfs/dbraw/zinc/59/27/94/389592794.db2.gz KFLLBMWQPBTBGY-ADEWGFFLSA-N 2 0 265.317 0.460 20 5 CCBDRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000903843287 634665504 /nfs/dbraw/zinc/66/55/04/634665504.db2.gz HMTPFRHDCIBINE-AXFHLTTASA-N 2 0 265.317 0.603 20 5 CCBDRP O=[N+]([O-])c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460142 640148910 /nfs/dbraw/zinc/14/89/10/640148910.db2.gz AMWWKHDLRBXNAF-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP O=[N+]([O-])c1cc(CN2CC[NH2+]CC[NH2+]CC2)cs1 ZINC000923461104 640150079 /nfs/dbraw/zinc/15/00/79/640150079.db2.gz LUKBOZLXPSPDJV-UHFFFAOYSA-N 2 0 270.358 0.651 20 5 CCBDRP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C[NH3+] ZINC000923495585 640161084 /nfs/dbraw/zinc/16/10/84/640161084.db2.gz CNBOKHMZXXDQFI-QWRGUYRKSA-N 2 0 267.333 0.708 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C[NH3+] ZINC000923495582 640161467 /nfs/dbraw/zinc/16/14/67/640161467.db2.gz CNBOKHMZXXDQFI-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc1C1C[NH2+]C1 ZINC001155039686 800896116 /nfs/dbraw/zinc/89/61/16/800896116.db2.gz WRCRHRLAMJLUOT-IUCAKERBSA-N 2 0 296.306 0.184 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1F ZINC001157097500 801300645 /nfs/dbraw/zinc/30/06/45/801300645.db2.gz YGTRIQUMENYYDT-UHFFFAOYSA-N 2 0 270.268 0.804 20 5 CCBDRP Nc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157097045 801301016 /nfs/dbraw/zinc/30/10/16/801301016.db2.gz RIMRXGBNGQWINY-UHFFFAOYSA-N 2 0 267.293 0.247 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001163126599 802486900 /nfs/dbraw/zinc/48/69/00/802486900.db2.gz SWNXWEGHHQODHA-UHFFFAOYSA-N 2 0 295.347 0.850 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246577692 807300232 /nfs/dbraw/zinc/30/02/32/807300232.db2.gz CUFCMEIGGCJHSG-VHRBIJSZSA-N 2 0 279.340 0.777 20 5 CCBDRP [NH3+]C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246585325 807306954 /nfs/dbraw/zinc/30/69/54/807306954.db2.gz NLHKUJGYHSMSSS-FPMFFAJLSA-N 2 0 277.324 0.313 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])CC[NH3+] ZINC001246831203 807398564 /nfs/dbraw/zinc/39/85/64/807398564.db2.gz MLDRJUIHQHYXCX-LLVKDONJSA-N 2 0 266.345 0.745 20 5 CCBDRP COc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167877671 812378954 /nfs/dbraw/zinc/37/89/54/812378954.db2.gz JHMSIMKZEUHTCD-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000823806341 821538729 /nfs/dbraw/zinc/53/87/29/821538729.db2.gz SDGNCVGOJPALJX-NEPJUHHUSA-N 2 0 279.344 0.675 20 5 CCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005369 836094802 /nfs/dbraw/zinc/09/48/02/836094802.db2.gz BIEQOTPKXOBPSH-WOPDTQHZSA-N 2 0 286.376 0.265 20 5 CCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005368 836095005 /nfs/dbraw/zinc/09/50/05/836095005.db2.gz BIEQOTPKXOBPSH-UTUOFQBUSA-N 2 0 286.376 0.265 20 5 CCBDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557022 348456432 /nfs/dbraw/zinc/45/64/32/348456432.db2.gz ZZFKQYHNYZWMRV-PWSUYJOCSA-N 2 0 285.348 0.082 20 5 CCBDRP [NH3+][C@H]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234235 291364434 /nfs/dbraw/zinc/36/44/34/291364434.db2.gz SHLZIZMBKRWJTO-STQMWFEESA-N 2 0 290.323 0.339 20 5 CCBDRP [NH3+]CCCOC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430566121 389808384 /nfs/dbraw/zinc/80/83/84/389808384.db2.gz BPJCHVATWNQMAQ-UHFFFAOYSA-N 2 0 297.359 0.621 20 5 CCBDRP [NH3+]CCCOC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430572653 389808455 /nfs/dbraw/zinc/80/84/55/389808455.db2.gz QAEZERZKGOFQMN-UHFFFAOYSA-N 2 0 297.359 0.621 20 5 CCBDRP C[C@@](C[NH3+])([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000430555409 278115095 /nfs/dbraw/zinc/11/50/95/278115095.db2.gz XCOAXAQUMRWUKA-NSHDSACASA-N 2 0 253.306 0.508 20 5 CCBDRP [NH3+]CC[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923483435 640162181 /nfs/dbraw/zinc/16/21/81/640162181.db2.gz OOXQGIFOZJSTPV-JTQLQIEISA-N 2 0 253.306 0.462 20 5 CCBDRP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923490368 640163520 /nfs/dbraw/zinc/16/35/20/640163520.db2.gz NDKYDOXWMYTCQD-NXEZZACHSA-N 2 0 267.333 0.745 20 5 CCBDRP Cc1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157094900 801299293 /nfs/dbraw/zinc/29/92/93/801299293.db2.gz YWTVTTKLAVBYLI-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP O=[N+]([O-])c1c(NC[C@@H]2C[C@H](F)C[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001162477106 802345236 /nfs/dbraw/zinc/34/52/36/802345236.db2.gz DQVMTPSNUKVLJC-IUCAKERBSA-N 2 0 296.306 0.184 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001163126972 802489208 /nfs/dbraw/zinc/48/92/08/802489208.db2.gz WGMONARTTKVTEZ-UHFFFAOYSA-N 2 0 295.347 0.850 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218356589 803950172 /nfs/dbraw/zinc/95/01/72/803950172.db2.gz RBMNGANYJUREOY-FZMZJTMJSA-O 2 0 280.392 0.515 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081950 807146806 /nfs/dbraw/zinc/14/68/06/807146806.db2.gz KGLFCBBBAOOXQW-WISYIIOYSA-N 2 0 275.324 0.084 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589436 808264380 /nfs/dbraw/zinc/26/43/80/808264380.db2.gz OSLAVKMIJIFMCD-CQSZACIVSA-N 2 0 293.367 0.966 20 5 CCBDRP Cn1cc(NC(=[NH2+])SCC[NH3+])cc([N+](=O)[O-])c1=O ZINC001167914530 812592946 /nfs/dbraw/zinc/59/29/46/812592946.db2.gz MMYJSGLRNNYBTF-UHFFFAOYSA-N 2 0 271.302 0.332 20 5 CCBDRP C[NH+]1CCN(C(=[NH2+])Nc2nccc(N)c2[N+](=O)[O-])CC1 ZINC001168736910 818556351 /nfs/dbraw/zinc/55/63/51/818556351.db2.gz RQONEKUFPGHGPK-UHFFFAOYSA-N 2 0 279.304 0.166 20 5 CCBDRP [NH3+]CCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984690 836080231 /nfs/dbraw/zinc/08/02/31/836080231.db2.gz QAHIGEJFZRVGDG-CHWSQXEVSA-N 2 0 270.377 0.398 20 5 CCBDRP CNc1cc([N+](=O)[O-])cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896542 839540398 /nfs/dbraw/zinc/54/03/98/839540398.db2.gz GSISXADFTYXJGQ-SECBINFHSA-N 2 0 254.294 0.467 20 5 CCBDRP CC(=O)Nc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170899959 839546972 /nfs/dbraw/zinc/54/69/72/839546972.db2.gz HAJLJYOSDSIQFV-GFCCVEGCSA-N 2 0 281.316 0.989 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170900840 839550067 /nfs/dbraw/zinc/55/00/67/839550067.db2.gz YQDOYHHFQJJXOC-VIFPVBQESA-N 2 0 264.289 0.678 20 5 CCBDRP O=[N+]([O-])CC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001336796265 921017560 /nfs/dbraw/zinc/01/75/60/921017560.db2.gz IWZUZEHBMZGPDQ-UHFFFAOYSA-N 2 0 271.361 0.744 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081943 807145694 /nfs/dbraw/zinc/14/56/94/807145694.db2.gz KGLFCBBBAOOXQW-NOOOWODRSA-N 2 0 275.324 0.084 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246143471 807166451 /nfs/dbraw/zinc/16/64/51/807166451.db2.gz KMNCLWQSNFPVNL-RDBSUJKOSA-N 2 0 296.415 0.896 20 5 CCBDRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036518 836110092 /nfs/dbraw/zinc/11/00/92/836110092.db2.gz GIAAVTQZLIVKQL-FVCCEPFGSA-N 2 0 253.346 0.925 20 5 CCBDRP O=[N+]([O-])CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001335350020 920139306 /nfs/dbraw/zinc/13/93/06/920139306.db2.gz CQSRGWOKLOWWMJ-UHFFFAOYSA-N 2 0 250.302 0.917 20 5 CCBDRP [NH3+]CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000569935015 358806827 /nfs/dbraw/zinc/80/68/27/358806827.db2.gz VSIBSAKKSDPGIF-UHFFFAOYSA-N 2 0 267.333 0.852 20 5 CCBDRP [NH3+]CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064131 389872709 /nfs/dbraw/zinc/87/27/09/389872709.db2.gz BWRBLDFUQHTALE-LLVKDONJSA-N 2 0 267.333 0.852 20 5 CCBDRP C[NH2+]CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923289118 616938268 /nfs/dbraw/zinc/93/82/68/616938268.db2.gz FNNUXPBKWSACIY-ZDUSSCGKSA-N 2 0 297.359 0.084 20 5 CCBDRP O=[N+]([O-])c1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466014 640148426 /nfs/dbraw/zinc/14/84/26/640148426.db2.gz HJIOBIHUBLWWLI-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159780119 801868726 /nfs/dbraw/zinc/86/87/26/801868726.db2.gz QQJABGUFWKGYID-LLVKDONJSA-N 2 0 276.300 0.974 20 5 CCBDRP COC(=O)[C@H](CCC[NH3+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246400791 807242241 /nfs/dbraw/zinc/24/22/41/807242241.db2.gz HXTCCKMPLHSQBY-DCAQKATOSA-N 2 0 273.333 0.302 20 5 CCBDRP [NH3+]CCCNCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246458088 807255084 /nfs/dbraw/zinc/25/50/84/807255084.db2.gz SKAFDIHKDQAQAW-AWEZNQCLSA-N 2 0 292.383 0.980 20 5 CCBDRP COc1ccc(C[C@H](C)N(CC[NH3+])CC[NH3+])c([N+](=O)[O-])c1 ZINC001246831943 807398664 /nfs/dbraw/zinc/39/86/64/807398664.db2.gz PCBOYVRCEPGYGB-NSHDSACASA-N 2 0 296.371 0.754 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006489 836094745 /nfs/dbraw/zinc/09/47/45/836094745.db2.gz YCUIQHLWSHTTKQ-NEPJUHHUSA-N 2 0 259.350 0.336 20 5 CCBDRP CN1CCC(CO)([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009356 836096638 /nfs/dbraw/zinc/09/66/38/836096638.db2.gz VUNMTUQTBDDUBI-NWDGAFQWSA-N 2 0 271.361 0.478 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1NC[C@@H]1COCC[NH2+]1)C[NH2+]C2 ZINC001170046146 836786790 /nfs/dbraw/zinc/78/67/90/836786790.db2.gz ZKZLDCMXDLGWHE-LLVKDONJSA-N 2 0 278.312 0.598 20 5 CCBDRP C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H](C)[NH2+]1 ZINC001158184503 837965198 /nfs/dbraw/zinc/96/51/98/837965198.db2.gz FOZQEVUBBPZYIN-IUCAKERBSA-N 2 0 292.343 0.258 20 5 CCBDRP COc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170898492 839545420 /nfs/dbraw/zinc/54/54/20/839545420.db2.gz OIVIYPNQDNGYNJ-QMMMGPOBSA-N 2 0 255.278 0.434 20 5 CCBDRP Cn1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603431353 363129482 /nfs/dbraw/zinc/12/94/82/363129482.db2.gz WOEJHLTYWLVFOU-UHFFFAOYSA-N 2 0 279.344 0.904 20 5 CCBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342108204 130265837 /nfs/dbraw/zinc/26/58/37/130265837.db2.gz QTOQPAGZANGTHG-KGYLQXTDSA-N 2 0 279.344 0.851 20 5 CCBDRP C[C@](C[NH3+])([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000430555408 280140300 /nfs/dbraw/zinc/14/03/00/280140300.db2.gz XCOAXAQUMRWUKA-LLVKDONJSA-N 2 0 253.306 0.508 20 5 CCBDRP O=[N+]([O-])CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000791052103 581205825 /nfs/dbraw/zinc/20/58/25/581205825.db2.gz LCDDEDPCWGDGCQ-UHFFFAOYSA-N 2 0 271.361 0.840 20 5 CCBDRP Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159780316 801867523 /nfs/dbraw/zinc/86/75/23/801867523.db2.gz XMUSMULDXCURFN-LURJTMIESA-N 2 0 274.712 0.782 20 5 CCBDRP Nc1nc(NCCC[NH2+]CCCC[NH3+])ccc1[N+](=O)[O-] ZINC001162291651 802303163 /nfs/dbraw/zinc/30/31/63/802303163.db2.gz GWLAEWOFRDXUIB-UHFFFAOYSA-N 2 0 282.348 0.703 20 5 CCBDRP [NH3+]CCc1nccn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001166369423 802902865 /nfs/dbraw/zinc/90/28/65/802902865.db2.gz FGYQOGKMKDFXKK-UHFFFAOYSA-N 2 0 273.296 0.885 20 5 CCBDRP CN(CC[NH3+])CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581922 808262836 /nfs/dbraw/zinc/26/28/36/808262836.db2.gz QECWHBBKTFLCHI-ZDUSSCGKSA-N 2 0 278.356 0.542 20 5 CCBDRP Cn1ccnc1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009802 836096520 /nfs/dbraw/zinc/09/65/20/836096520.db2.gz YGJBLRDKTYVLFH-GHMZBOCLSA-N 2 0 252.318 0.998 20 5 CCBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038640 836112688 /nfs/dbraw/zinc/11/26/88/836112688.db2.gz JQEUSDNZRMMQPW-ZIAGYGMSSA-N 2 0 284.404 0.611 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170900838 839548966 /nfs/dbraw/zinc/54/89/66/839548966.db2.gz YQDOYHHFQJJXOC-SECBINFHSA-N 2 0 264.289 0.678 20 5 CCBDRP COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159779269 839572997 /nfs/dbraw/zinc/57/29/97/839572997.db2.gz DGDCQVLVFIKEGM-SECBINFHSA-N 2 0 283.288 0.212 20 5 CCBDRP C[NH+](C)CC1(O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000931485917 615872638 /nfs/dbraw/zinc/87/26/38/615872638.db2.gz SMIMWGWBSSLPFC-UHFFFAOYSA-N 2 0 297.359 0.180 20 5 CCBDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944756 641281681 /nfs/dbraw/zinc/28/16/81/641281681.db2.gz LEXNZMFRXSPSKG-NSHDSACASA-N 2 0 293.371 0.733 20 5 CCBDRP C[C@H](C[N+](C)(C)C)OCCC[NH+]1CCN(C)CC1 ZINC001206595844 803273822 /nfs/dbraw/zinc/27/38/22/803273822.db2.gz JHOUYRUWAUEZJO-CQSZACIVSA-N 2 0 258.430 0.735 20 5 CCBDRP COc1ccc(C[C@H](C)[NH2+]CCNCC[NH3+])c([N+](=O)[O-])c1 ZINC001246406749 807244645 /nfs/dbraw/zinc/24/46/45/807244645.db2.gz UMQMRDDVUUHGQU-NSHDSACASA-N 2 0 296.371 0.672 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970874 836089484 /nfs/dbraw/zinc/08/94/84/836089484.db2.gz JCNRZKLXYVRTIM-ZJUUUORDSA-N 2 0 257.338 0.285 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006199 836095180 /nfs/dbraw/zinc/09/51/80/836095180.db2.gz WNFRJZINKWGTMR-VXGBXAGGSA-N 2 0 285.392 0.888 20 5 CCBDRP [NH3+]CCCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005383 836096030 /nfs/dbraw/zinc/09/60/30/836096030.db2.gz TXWNFFFRNAATPW-KBPBESRZSA-N 2 0 284.404 0.788 20 5 CCBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038639 836112394 /nfs/dbraw/zinc/11/23/94/836112394.db2.gz JQEUSDNZRMMQPW-UONOGXRCSA-N 2 0 284.404 0.611 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159788499 839581331 /nfs/dbraw/zinc/58/13/31/839581331.db2.gz JHQOPDIRLXIVGK-SNVBAGLBSA-N 2 0 276.300 0.974 20 5 CCBDRP CN(CCOCC[NH3+])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000600733727 362048559 /nfs/dbraw/zinc/04/85/59/362048559.db2.gz BXDSEXOFYULBMV-UHFFFAOYSA-N 2 0 296.327 0.101 20 5 CCBDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000424335908 235197891 /nfs/dbraw/zinc/19/78/91/235197891.db2.gz PRCDWMYFDHQVAC-NXEZZACHSA-N 2 0 253.306 0.651 20 5 CCBDRP Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414870013 389641350 /nfs/dbraw/zinc/64/13/50/389641350.db2.gz RXWBFZCRMAXWJC-UHFFFAOYSA-N 2 0 278.356 0.898 20 5 CCBDRP [NH3+]Cc1cccn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167590059 791598316 /nfs/dbraw/zinc/59/83/16/791598316.db2.gz PPBOMZSTSARXEG-UHFFFAOYSA-N 2 0 274.284 0.321 20 5 CCBDRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159780183 801866477 /nfs/dbraw/zinc/86/64/77/801866477.db2.gz STMSZEKISCQVHE-MRVPVSSYSA-N 2 0 255.278 0.434 20 5 CCBDRP CCOC(=O)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159789255 801873325 /nfs/dbraw/zinc/87/33/25/801873325.db2.gz QQVQNZQLOAYFJC-SECBINFHSA-N 2 0 297.315 0.602 20 5 CCBDRP Nc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167880186 812387717 /nfs/dbraw/zinc/38/77/17/812387717.db2.gz BCWIGQRCDXJLNA-UHFFFAOYSA-N 2 0 267.293 0.247 20 5 CCBDRP C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001156581150 836615904 /nfs/dbraw/zinc/61/59/04/836615904.db2.gz CGEQJEALQLZKCG-VIFPVBQESA-N 2 0 278.316 0.188 20 5 CCBDRP C[NH+]1CC(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001170252852 837283601 /nfs/dbraw/zinc/28/36/01/837283601.db2.gz FCPWJCJBBNSUQH-UHFFFAOYSA-N 2 0 278.316 0.045 20 5 CCBDRP C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001170568215 838131521 /nfs/dbraw/zinc/13/15/21/838131521.db2.gz FNMJUIOYPYORSU-LKFCYVNXSA-N 2 0 292.339 0.987 20 5 CCBDRP COc1cnc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170897647 839543049 /nfs/dbraw/zinc/54/30/49/839543049.db2.gz PDFXLCWPABYLBG-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP CC(=O)Nc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170899962 839548328 /nfs/dbraw/zinc/54/83/28/839548328.db2.gz HAJLJYOSDSIQFV-LBPRGKRZSA-N 2 0 281.316 0.989 20 5 CCBDRP COC(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001159786350 839579292 /nfs/dbraw/zinc/57/92/92/839579292.db2.gz YKOSRQQIXWYLDL-SECBINFHSA-N 2 0 283.288 0.212 20 5 CCBDRP C[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224817337 895491975 /nfs/dbraw/zinc/49/19/75/895491975.db2.gz NAUMVOMXRHRDGL-NWDGAFQWSA-N 2 0 259.370 0.081 20 5 CCBDRP C[C@H]1C[NH+](CCCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC001353279123 925780558 /nfs/dbraw/zinc/78/05/58/925780558.db2.gz ZCMXNLBNEHRSCY-RYUDHWBXSA-N 2 0 259.350 0.742 20 5 CCBDRP [NH3+][C@@H]1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234234 291364482 /nfs/dbraw/zinc/36/44/82/291364482.db2.gz SHLZIZMBKRWJTO-QWHCGFSZSA-N 2 0 290.323 0.339 20 5 CCBDRP CN1CCN(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111841591 389115031 /nfs/dbraw/zinc/11/50/31/389115031.db2.gz XPNRQSXXRYHKQG-CQSZACIVSA-N 2 0 278.356 0.930 20 5 CCBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859751 389701236 /nfs/dbraw/zinc/70/12/36/389701236.db2.gz DKCDNKYIUVBSEK-VHSXEESVSA-N 2 0 253.306 0.460 20 5 CCBDRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000430585272 389809870 /nfs/dbraw/zinc/80/98/70/389809870.db2.gz QFRNKHIQSWZSLM-LLVKDONJSA-N 2 0 255.322 0.754 20 5 CCBDRP C[C@](C[NH3+])([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000430590813 389810582 /nfs/dbraw/zinc/81/05/82/389810582.db2.gz ITTCULUYAJJSRU-LLVKDONJSA-N 2 0 253.306 0.508 20 5 CCBDRP C[NH2+]CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923289117 616938772 /nfs/dbraw/zinc/93/87/72/616938772.db2.gz FNNUXPBKWSACIY-CYBMUJFWSA-N 2 0 297.359 0.084 20 5 CCBDRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000903843151 634665748 /nfs/dbraw/zinc/66/57/48/634665748.db2.gz DCHIOHUDFJRISD-DCAQKATOSA-N 2 0 265.317 0.603 20 5 CCBDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894014 800001924 /nfs/dbraw/zinc/00/19/24/800001924.db2.gz BLLIIONZFYDMKR-AAEUAGOBSA-N 2 0 297.359 0.084 20 5 CCBDRP Nc1cc([N+](=O)[O-])cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162291900 802302881 /nfs/dbraw/zinc/30/28/81/802302881.db2.gz JIADWBKEECLGDV-UHFFFAOYSA-N 2 0 282.348 0.703 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584241 808263810 /nfs/dbraw/zinc/26/38/10/808263810.db2.gz RAIVXHYNCGWFML-OAHLLOKOSA-N 2 0 290.367 0.638 20 5 CCBDRP CC[N+](C)(C)Cc1ccccc1-n1nnnc1C[NH3+] ZINC001168920271 836050425 /nfs/dbraw/zinc/05/04/25/836050425.db2.gz MBPRKOIKQWROQR-UHFFFAOYSA-N 2 0 261.353 0.717 20 5 CCBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC001170298119 837288334 /nfs/dbraw/zinc/28/83/34/837288334.db2.gz FPFBYIYEECAIKM-MWLCHTKSSA-N 2 0 283.328 0.444 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170896826 839539358 /nfs/dbraw/zinc/53/93/58/839539358.db2.gz AJCWGFRTCRPAGD-SSDOTTSWSA-N 2 0 265.277 0.302 20 5 CCBDRP COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170906591 839557714 /nfs/dbraw/zinc/55/77/14/839557714.db2.gz XESVUFUYIBPZCX-SECBINFHSA-N 2 0 283.288 0.212 20 5 CCBDRP O=[N+]([O-])c1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083478371 389002634 /nfs/dbraw/zinc/00/26/34/389002634.db2.gz GWSLDDATVNCCPZ-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862759 389702006 /nfs/dbraw/zinc/70/20/06/389702006.db2.gz QHYBHSXWMCXQDN-ZJUUUORDSA-N 2 0 253.306 0.460 20 5 CCBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572171 389808493 /nfs/dbraw/zinc/80/84/93/389808493.db2.gz NMOBIHZQKSMOQB-GHMZBOCLSA-N 2 0 267.333 0.851 20 5 CCBDRP [NH3+]CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000420315748 389982852 /nfs/dbraw/zinc/98/28/52/389982852.db2.gz LHGAFSXAKUDADQ-SNVBAGLBSA-N 2 0 265.317 0.825 20 5 CCBDRP O=[N+]([O-])c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923466408 640148634 /nfs/dbraw/zinc/14/86/34/640148634.db2.gz YBIBRHLFXBXKOG-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923490369 640163924 /nfs/dbraw/zinc/16/39/24/640163924.db2.gz NDKYDOXWMYTCQD-UWVGGRQHSA-N 2 0 267.333 0.745 20 5 CCBDRP Nc1cc(NC(=[NH2+])NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001157096011 801298726 /nfs/dbraw/zinc/29/87/26/801298726.db2.gz FOOAMZXZPCVXDS-UHFFFAOYSA-N 2 0 267.293 0.247 20 5 CCBDRP Cc1cnc(C[NH3+])n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158169949 801583694 /nfs/dbraw/zinc/58/36/94/801583694.db2.gz UTBPYXQQWYKDBH-UHFFFAOYSA-N 2 0 289.299 0.024 20 5 CCBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])CC[NH3+] ZINC001246831205 807398208 /nfs/dbraw/zinc/39/82/08/807398208.db2.gz MLDRJUIHQHYXCX-NSHDSACASA-N 2 0 266.345 0.745 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006181 836095044 /nfs/dbraw/zinc/09/50/44/836095044.db2.gz WNFRJZINKWGTMR-NEPJUHHUSA-N 2 0 285.392 0.888 20 5 CCBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038638 836112324 /nfs/dbraw/zinc/11/23/24/836112324.db2.gz JQEUSDNZRMMQPW-KGLIPLIRSA-N 2 0 284.404 0.611 20 5 CCBDRP [NH3+]Cc1ccn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001169726097 836423456 /nfs/dbraw/zinc/42/34/56/836423456.db2.gz UTMZCIUEAQMNBX-UHFFFAOYSA-N 2 0 274.284 0.321 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170897812 839543348 /nfs/dbraw/zinc/54/33/48/839543348.db2.gz KLDJBEIBZGUMHH-VIFPVBQESA-N 2 0 275.696 0.317 20 5 CCBDRP COC(=O)Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900977 839549333 /nfs/dbraw/zinc/54/93/33/839549333.db2.gz SKBKRUOXHIEZPA-GFCCVEGCSA-N 2 0 296.327 0.746 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170901100 839551514 /nfs/dbraw/zinc/55/15/14/839551514.db2.gz WEIFMAHBGFHGMG-VIFPVBQESA-N 2 0 264.289 0.907 20 5 CCBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246543350 839948517 /nfs/dbraw/zinc/94/85/17/839948517.db2.gz MXYHMPVCYVUKII-AVGNSLFASA-N 2 0 271.361 0.608 20 5 CCBDRP CC1(C)[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH3+] ZINC000603430733 363129601 /nfs/dbraw/zinc/12/96/01/363129601.db2.gz CGMRFJLSKNDOTQ-DTWKUNHWSA-N 2 0 253.306 0.507 20 5 CCBDRP CC(C)[C@](C)(C[NH3+])[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000430585273 389809772 /nfs/dbraw/zinc/80/97/72/389809772.db2.gz QFRNKHIQSWZSLM-NSHDSACASA-N 2 0 255.322 0.754 20 5 CCBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352519369 389824062 /nfs/dbraw/zinc/82/40/62/389824062.db2.gz OEAOGVUQZZGTTF-NSHDSACASA-N 2 0 267.333 0.995 20 5 CCBDRP C[C@@H]([NH3+])C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430928685 389835663 /nfs/dbraw/zinc/83/56/63/389835663.db2.gz VAAUUUJDTMAWSJ-SNVBAGLBSA-N 2 0 267.333 0.851 20 5 CCBDRP O=[N+]([O-])CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418895 648735138 /nfs/dbraw/zinc/73/51/38/648735138.db2.gz OWDXWWRGPJOUMG-UHFFFAOYSA-N 2 0 271.361 0.697 20 5 CCBDRP [NH3+]Cc1cccn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156736363 801226924 /nfs/dbraw/zinc/22/69/24/801226924.db2.gz NUMNFGSKOKBLED-UHFFFAOYSA-N 2 0 274.284 0.321 20 5 CCBDRP [NH3+]Cc1ccn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001158771136 801704246 /nfs/dbraw/zinc/70/42/46/801704246.db2.gz UVNZOWUHIHCLMJ-UHFFFAOYSA-N 2 0 274.284 0.321 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])cn1 ZINC001167878835 812384828 /nfs/dbraw/zinc/38/48/28/812384828.db2.gz FHSLHAOGNCJJTB-UHFFFAOYSA-N 2 0 252.278 0.665 20 5 CCBDRP COc1ncc([N+](=O)[O-])cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899905 839548259 /nfs/dbraw/zinc/54/82/59/839548259.db2.gz NHBOENDJFDGELX-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP Cc1nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159779372 839573960 /nfs/dbraw/zinc/57/39/60/839573960.db2.gz GCBRZFWPJAXRCL-ZCFIWIBFSA-N 2 0 274.712 0.782 20 5 CCBDRP CC1(C)[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC000603434108 363131596 /nfs/dbraw/zinc/13/15/96/363131596.db2.gz QDGSAMZESNIPEF-VHSXEESVSA-N 2 0 253.306 0.507 20 5 CCBDRP C[NH+](C)CC1(O)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000931483041 615872543 /nfs/dbraw/zinc/87/25/43/615872543.db2.gz VSPAUJTVBZJWMC-UHFFFAOYSA-N 2 0 297.359 0.180 20 5 CCBDRP C[NH+]1CCC(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000893136233 616170458 /nfs/dbraw/zinc/17/04/58/616170458.db2.gz VNDISTMEWKKIGA-UHFFFAOYSA-N 2 0 267.333 0.723 20 5 CCBDRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000904307484 634723543 /nfs/dbraw/zinc/72/35/43/634723543.db2.gz BUEWFOJOUHHCCH-TXEJJXNPSA-N 2 0 291.355 0.849 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081940 807145774 /nfs/dbraw/zinc/14/57/74/807145774.db2.gz KGLFCBBBAOOXQW-FIQHERPVSA-N 2 0 275.324 0.084 20 5 CCBDRP COc1nc(C)c(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167878126 812375449 /nfs/dbraw/zinc/37/54/49/812375449.db2.gz GSWKLMPXQHALNP-UHFFFAOYSA-N 2 0 296.331 0.982 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167878540 812382182 /nfs/dbraw/zinc/38/21/82/812382182.db2.gz MSJCJLLCIBFCFJ-UHFFFAOYSA-N 2 0 291.315 0.918 20 5 CCBDRP [NH3+]CCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168984691 836079733 /nfs/dbraw/zinc/07/97/33/836079733.db2.gz QAHIGEJFZRVGDG-OLZOCXBDSA-N 2 0 270.377 0.398 20 5 CCBDRP Cc1cnc(C[NH3+])n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169028052 836105893 /nfs/dbraw/zinc/10/58/93/836105893.db2.gz GTXUTENCAUPRBT-UHFFFAOYSA-N 2 0 289.299 0.024 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001170894930 839551538 /nfs/dbraw/zinc/55/15/38/839551538.db2.gz PEPKTRJRHQKLPZ-YFKPBYRVSA-N 2 0 260.685 0.474 20 5 CCBDRP CC[C@@]([NH3+])(CO)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001159744286 839566026 /nfs/dbraw/zinc/56/60/26/839566026.db2.gz PLFIVWRXLZKYBM-GFUIURDCSA-N 2 0 295.343 0.991 20 5 CCBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246543355 839948496 /nfs/dbraw/zinc/94/84/96/839948496.db2.gz MXYHMPVCYVUKII-UPJWGTAASA-N 2 0 271.361 0.608 20 5 CCBDRP CN(Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304464 616170949 /nfs/dbraw/zinc/17/09/49/616170949.db2.gz XSUAGUNPIALPJG-DRZSPHRISA-N 2 0 265.313 0.877 20 5 CCBDRP C[C@H]1[NH2+]CC[C@H]1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001162672695 802384136 /nfs/dbraw/zinc/38/41/36/802384136.db2.gz GAICILXRIWEVRJ-VXNVDRBHSA-N 2 0 278.316 0.234 20 5 CCBDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133294815 838592004 /nfs/dbraw/zinc/59/20/04/838592004.db2.gz VOVXVHCEKWIFKP-UHFFFAOYSA-N 2 0 294.355 0.752 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+]C[C@H]1CO)C[NH2+]C2 ZINC001170776780 839099574 /nfs/dbraw/zinc/09/95/74/839099574.db2.gz BOEVEXUREDEWTI-CMPLNLGQSA-N 2 0 278.312 0.190 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170902461 839553890 /nfs/dbraw/zinc/55/38/90/839553890.db2.gz CSTZUWHZUNUGII-NSHDSACASA-N 2 0 282.300 0.817 20 5 CCBDRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001350909393 925310402 /nfs/dbraw/zinc/31/04/02/925310402.db2.gz IQYUWVLJFPNZHL-UBHSHLNASA-N 2 0 277.324 0.804 20 5 CCBDRP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358497518 232113180 /nfs/dbraw/zinc/11/31/80/232113180.db2.gz BKWHIXBRWRWAGM-UHFFFAOYSA-N 2 0 279.344 0.867 20 5 CCBDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158156040 350654529 /nfs/dbraw/zinc/65/45/29/350654529.db2.gz GZDFZVCTQONGLA-MDZLAQPJSA-N 2 0 297.359 0.225 20 5 CCBDRP [NH3+]Cc1cnn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001168261722 814928796 /nfs/dbraw/zinc/92/87/96/814928796.db2.gz HFFZZGVQUBEAQI-UHFFFAOYSA-N 2 0 259.269 0.842 20 5 CCBDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264304 799711526 /nfs/dbraw/zinc/71/15/26/799711526.db2.gz BLLIIONZFYDMKR-WCQYABFASA-N 2 0 297.359 0.084 20 5 CCBDRP C[NH+](C)C1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001165121156 802785274 /nfs/dbraw/zinc/78/52/74/802785274.db2.gz GBDHMAZKQRKZPM-UHFFFAOYSA-N 2 0 292.343 0.212 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246143468 807166038 /nfs/dbraw/zinc/16/60/38/807166038.db2.gz KMNCLWQSNFPVNL-HZSPNIEDSA-N 2 0 296.415 0.896 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970873 836090219 /nfs/dbraw/zinc/09/02/19/836090219.db2.gz JCNRZKLXYVRTIM-VHSXEESVSA-N 2 0 257.338 0.285 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970872 836090675 /nfs/dbraw/zinc/09/06/75/836090675.db2.gz JCNRZKLXYVRTIM-UWVGGRQHSA-N 2 0 257.338 0.285 20 5 CCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005366 836095934 /nfs/dbraw/zinc/09/59/34/836095934.db2.gz BIEQOTPKXOBPSH-SRVKXCTJSA-N 2 0 286.376 0.265 20 5 CCBDRP COC(=O)c1cc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170897016 839542698 /nfs/dbraw/zinc/54/26/98/839542698.db2.gz JXVNHMKQJMIZCA-SECBINFHSA-N 2 0 297.315 0.520 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170901082 839550358 /nfs/dbraw/zinc/55/03/58/839550358.db2.gz VQNLJJGYDSXEKJ-QMMMGPOBSA-N 2 0 259.697 0.501 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170901081 839550566 /nfs/dbraw/zinc/55/05/66/839550566.db2.gz VQNLJJGYDSXEKJ-MRVPVSSYSA-N 2 0 259.697 0.501 20 5 CCBDRP CCOc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159786790 839580745 /nfs/dbraw/zinc/58/07/45/839580745.db2.gz KGBIELZDWAPQFK-SECBINFHSA-N 2 0 269.305 0.824 20 5 CCBDRP CN1CC[NH+](CC2(C)CC[NH+](CC[N+](=O)[O-])CC2)CC1 ZINC001351300081 925399180 /nfs/dbraw/zinc/39/91/80/925399180.db2.gz BZTRVAKZWSZXHX-UHFFFAOYSA-N 2 0 284.404 0.613 20 5 CCBDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557023 348456240 /nfs/dbraw/zinc/45/62/40/348456240.db2.gz ZZFKQYHNYZWMRV-CMPLNLGQSA-N 2 0 285.348 0.082 20 5 CCBDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000594577625 360334252 /nfs/dbraw/zinc/33/42/52/360334252.db2.gz VFJXOFCVRULJCE-NTZNESFSSA-N 2 0 297.359 0.082 20 5 CCBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859749 389700646 /nfs/dbraw/zinc/70/06/46/389700646.db2.gz DKCDNKYIUVBSEK-NXEZZACHSA-N 2 0 253.306 0.460 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1CC[NH3+] ZINC000903499176 634582794 /nfs/dbraw/zinc/58/27/94/634582794.db2.gz ILJXLCCDCDGMDX-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C[NH3+] ZINC000923499382 640169880 /nfs/dbraw/zinc/16/98/80/640169880.db2.gz KDACMRKIAGRTAW-QWRGUYRKSA-N 2 0 267.333 0.708 20 5 CCBDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])n1 ZINC000883424015 647523658 /nfs/dbraw/zinc/52/36/58/647523658.db2.gz BIZIVGHLZOJFFS-UHFFFAOYSA-N 2 0 279.344 0.904 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159786414 801869300 /nfs/dbraw/zinc/86/93/00/801869300.db2.gz ADMVZXYMTDURRL-MRVPVSSYSA-N 2 0 275.696 0.317 20 5 CCBDRP Cc1nc(NCCC[NH2+]CCCC[NH3+])ncc1[N+](=O)[O-] ZINC001162294643 802302191 /nfs/dbraw/zinc/30/21/91/802302191.db2.gz PZUZFRAWBPFADZ-UHFFFAOYSA-N 2 0 282.348 0.824 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891961 803923892 /nfs/dbraw/zinc/92/38/92/803923892.db2.gz MIHWMZVMPTVLAO-XUXIUFHCSA-N 2 0 257.398 0.865 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612659 807324038 /nfs/dbraw/zinc/32/40/38/807324038.db2.gz BUDLLLQITIONPQ-RFGFWPKPSA-N 2 0 282.388 0.458 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cnc([N+](=O)[O-])cn1 ZINC001167882789 812403151 /nfs/dbraw/zinc/40/31/51/812403151.db2.gz XNAPQCFMNULWJJ-UHFFFAOYSA-N 2 0 253.266 0.060 20 5 CCBDRP O=[N+]([O-])c1c(N[C@H]2C[NH2+]CC[C@H]2F)ncnc1C1C[NH2+]C1 ZINC001168227758 814916027 /nfs/dbraw/zinc/91/60/27/814916027.db2.gz XZMLZZYPORTBER-BDAKNGLRSA-N 2 0 296.306 0.184 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972620 836090107 /nfs/dbraw/zinc/09/01/07/836090107.db2.gz NNGGQEOXLVNOIW-RYUDHWBXSA-N 2 0 256.350 0.008 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000423435840 389587892 /nfs/dbraw/zinc/58/78/92/389587892.db2.gz SQNWXKWERSBXSX-SCDSUCTJSA-N 2 0 279.340 0.696 20 5 CCBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862757 389701822 /nfs/dbraw/zinc/70/18/22/389701822.db2.gz QHYBHSXWMCXQDN-UWVGGRQHSA-N 2 0 253.306 0.460 20 5 CCBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431027618 389845971 /nfs/dbraw/zinc/84/59/71/389845971.db2.gz KDGXRMANFWWLRR-UHFFFAOYSA-N 2 0 279.344 0.867 20 5 CCBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC000931438085 616332927 /nfs/dbraw/zinc/33/29/27/616332927.db2.gz ZKPXMXJLMDPSRW-NEPJUHHUSA-N 2 0 279.344 0.675 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C[NH3+] ZINC000923499377 640169807 /nfs/dbraw/zinc/16/98/07/640169807.db2.gz KDACMRKIAGRTAW-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP COc1cc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157096344 801299473 /nfs/dbraw/zinc/29/94/73/801299473.db2.gz HIBRBMSQKZPPCS-UHFFFAOYSA-N 2 0 296.331 0.982 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584240 808264415 /nfs/dbraw/zinc/26/44/15/808264415.db2.gz RAIVXHYNCGWFML-HNNXBMFYSA-N 2 0 290.367 0.638 20 5 CCBDRP COc1cc(NC(=[NH2+])NCCCC[NH3+])cnc1[N+](=O)[O-] ZINC001167882523 812402811 /nfs/dbraw/zinc/40/28/11/812402811.db2.gz TZRASDXUMZXBRK-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP Cn1ccnc1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009808 836096704 /nfs/dbraw/zinc/09/67/04/836096704.db2.gz YGJBLRDKTYVLFH-WDEREUQCSA-N 2 0 252.318 0.998 20 5 CCBDRP CCOC(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897778 839542327 /nfs/dbraw/zinc/54/23/27/839542327.db2.gz KBVZFTMFMKQKGR-JTQLQIEISA-N 2 0 297.315 0.602 20 5 CCBDRP COc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170898491 839545616 /nfs/dbraw/zinc/54/56/16/839545616.db2.gz OIVIYPNQDNGYNJ-MRVPVSSYSA-N 2 0 255.278 0.434 20 5 CCBDRP COc1cc(N[C@@H]([NH3+])CCC[NH3+])cnc1[N+](=O)[O-] ZINC001170901121 839552459 /nfs/dbraw/zinc/55/24/59/839552459.db2.gz WWNWVOMJIAUKEA-SECBINFHSA-N 2 0 255.278 0.434 20 5 CCBDRP Cc1nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159779370 839574091 /nfs/dbraw/zinc/57/40/91/839574091.db2.gz GCBRZFWPJAXRCL-LURJTMIESA-N 2 0 274.712 0.782 20 5 CCBDRP C[NH+](C)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304310400 354112654 /nfs/dbraw/zinc/11/26/54/354112654.db2.gz KGOCQBSEFOEWQJ-ZDUSSCGKSA-N 2 0 297.359 0.178 20 5 CCBDRP [NH3+]CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414732008 389633331 /nfs/dbraw/zinc/63/33/31/389633331.db2.gz CJKHHOBUMXHENE-UHFFFAOYSA-N 2 0 292.339 0.701 20 5 CCBDRP C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443649 389686688 /nfs/dbraw/zinc/68/66/88/389686688.db2.gz LXWFEASULJXOOZ-QWRGUYRKSA-N 2 0 267.333 0.864 20 5 CCBDRP C[NH2+]CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430967753 389841885 /nfs/dbraw/zinc/84/18/85/389841885.db2.gz UOAJCIAQFAHZPR-UHFFFAOYSA-N 2 0 267.333 0.723 20 5 CCBDRP CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000420362877 389991774 /nfs/dbraw/zinc/99/17/74/389991774.db2.gz ZORSGBDMHCTMEA-NSHDSACASA-N 2 0 269.301 0.225 20 5 CCBDRP C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000420398579 389996542 /nfs/dbraw/zinc/99/65/42/389996542.db2.gz GZCJRNMYECDOOB-QWRGUYRKSA-N 2 0 267.333 0.708 20 5 CCBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246558509 807287658 /nfs/dbraw/zinc/28/76/58/807287658.db2.gz LODRUYGETQGNFZ-RWMBFGLXSA-N 2 0 271.361 0.608 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167881442 812402118 /nfs/dbraw/zinc/40/21/18/812402118.db2.gz GWVRDFMVZLBHHQ-UHFFFAOYSA-N 3 0 292.343 0.873 20 5 CCBDRP Cc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157914341 837691542 /nfs/dbraw/zinc/69/15/42/837691542.db2.gz CIYKFCCFZVRKSY-UHFFFAOYSA-N 2 0 278.316 0.892 20 5 CCBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025973 836114736 /nfs/dbraw/zinc/11/47/36/836114736.db2.gz KIRQGKSLUIUJIM-ZIAGYGMSSA-N 2 0 286.420 0.857 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNCC[NH3+] ZINC001246406141 839830618 /nfs/dbraw/zinc/83/06/18/839830618.db2.gz REUITGNWNNJAFZ-NSHDSACASA-N 2 0 266.345 0.664 20 5 CCBDRP [NH3+]C[C@@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896224 841983435 /nfs/dbraw/zinc/98/34/35/841983435.db2.gz NJYZXLJSAPKPQJ-GXTWGEPZSA-N 2 0 279.340 0.751 20 5 CCBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573960 389808960 /nfs/dbraw/zinc/80/89/60/389808960.db2.gz NIYQPBYHVADECB-QWRGUYRKSA-N 2 0 267.333 0.851 20 5 CCBDRP NC(=O)c1ccc(C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000044514191 175189079 /nfs/dbraw/zinc/18/90/79/175189079.db2.gz ZSLWPTQIWSHODN-UHFFFAOYSA-N 2 0 292.339 0.864 20 5 CCBDRP O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461486 640150307 /nfs/dbraw/zinc/15/03/07/640150307.db2.gz PLPDDQDUAYEKCQ-UHFFFAOYSA-N 2 0 282.319 0.729 20 5 CCBDRP Cc1ncc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157096381 801298982 /nfs/dbraw/zinc/29/89/82/801298982.db2.gz IHSXQFNBKVJHFT-UHFFFAOYSA-N 2 0 267.293 0.368 20 5 CCBDRP C[C@@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001158355862 801625484 /nfs/dbraw/zinc/62/54/84/801625484.db2.gz FRPDHCCRKPKUEP-SSDOTTSWSA-N 2 0 289.299 0.277 20 5 CCBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246558508 807287649 /nfs/dbraw/zinc/28/76/49/807287649.db2.gz LODRUYGETQGNFZ-JHJVBQTASA-N 2 0 271.361 0.608 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246577691 807299975 /nfs/dbraw/zinc/29/99/75/807299975.db2.gz CUFCMEIGGCJHSG-SCDSUCTJSA-N 2 0 279.340 0.777 20 5 CCBDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001167878070 812375012 /nfs/dbraw/zinc/37/50/12/812375012.db2.gz FUAOXGNJPACTTG-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP Cn1ccnc1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009807 836096945 /nfs/dbraw/zinc/09/69/45/836096945.db2.gz YGJBLRDKTYVLFH-QWRGUYRKSA-N 2 0 252.318 0.998 20 5 CCBDRP C[C@H]([NH3+])c1ccn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001169231641 836165997 /nfs/dbraw/zinc/16/59/97/836165997.db2.gz ONQJOWCKSWTTAM-ZETCQYMHSA-N 2 0 289.299 0.277 20 5 CCBDRP CN1Cc2cc(N[C@@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001170902533 839553805 /nfs/dbraw/zinc/55/38/05/839553805.db2.gz FMILYLASWTXZQI-LLVKDONJSA-N 2 0 280.332 0.803 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001173210071 842022727 /nfs/dbraw/zinc/02/27/27/842022727.db2.gz HPJDVMQHMQHBEW-CABZTGNLSA-N 2 0 253.302 0.435 20 5 CCBDRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430110 363128245 /nfs/dbraw/zinc/12/82/45/363128245.db2.gz SKFPPEXBRMQIOS-SNVBAGLBSA-N 2 0 267.333 0.889 20 5 CCBDRP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000572763145 390801790 /nfs/dbraw/zinc/80/17/90/390801790.db2.gz QOOTWKGXUQMMIZ-TXEJJXNPSA-N 2 0 279.344 0.723 20 5 CCBDRP C[C@@H]1C[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[NH2+]1 ZINC001155101989 800910947 /nfs/dbraw/zinc/91/09/47/800910947.db2.gz MQRFTBFBUMPQIE-RKDXNWHRSA-N 2 0 292.343 0.482 20 5 CCBDRP CC(=O)O[C@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1[N@@H+]2C ZINC001224773124 805075121 /nfs/dbraw/zinc/07/51/21/805075121.db2.gz DXYJRYHRRJOTEL-XQLPTFJDSA-N 2 0 285.408 0.876 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001167879671 812389002 /nfs/dbraw/zinc/38/90/02/812389002.db2.gz YKBZAHRWFIHFAS-UHFFFAOYSA-N 2 0 286.723 0.740 20 5 CCBDRP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896229 841983677 /nfs/dbraw/zinc/98/36/77/841983677.db2.gz NJYZXLJSAPKPQJ-OCCSQVGLSA-N 2 0 279.340 0.751 20 5 CCBDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214292 842021476 /nfs/dbraw/zinc/02/14/76/842021476.db2.gz AJEVYIJDXCHKQU-JQWIXIFHSA-N 2 0 295.339 0.863 20 5 CCBDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000594577624 360333669 /nfs/dbraw/zinc/33/36/69/360333669.db2.gz VFJXOFCVRULJCE-LOWVWBTDSA-N 2 0 297.359 0.082 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423435839 389587273 /nfs/dbraw/zinc/58/72/73/389587273.db2.gz SQNWXKWERSBXSX-QKCSRTOESA-N 2 0 279.340 0.696 20 5 CCBDRP C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443591 389686590 /nfs/dbraw/zinc/68/65/90/389686590.db2.gz LXWFEASULJXOOZ-GHMZBOCLSA-N 2 0 267.333 0.864 20 5 CCBDRP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033110 389846461 /nfs/dbraw/zinc/84/64/61/389846461.db2.gz GTMYHJPQHJXKCH-UHFFFAOYSA-N 2 0 279.344 0.904 20 5 CCBDRP CC(C)N(CCC[NH3+])c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156124831 801113428 /nfs/dbraw/zinc/11/34/28/801113428.db2.gz YNRWOMYEFKWWTR-UHFFFAOYSA-N 2 0 294.359 0.635 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159785268 801869888 /nfs/dbraw/zinc/86/98/88/801869888.db2.gz NGHCJHJJCJCXJH-ZETCQYMHSA-N 2 0 275.696 0.317 20 5 CCBDRP C[C@H](C[N+](C)(C)C)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891957 803924793 /nfs/dbraw/zinc/92/47/93/803924793.db2.gz MIHWMZVMPTVLAO-RQJABVFESA-N 2 0 257.398 0.865 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C[NH3+])c1 ZINC001218224453 803942641 /nfs/dbraw/zinc/94/26/41/803942641.db2.gz ZPWIABPYJYYEFB-GFCCVEGCSA-N 2 0 267.349 0.508 20 5 CCBDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573826 808261553 /nfs/dbraw/zinc/26/15/53/808261553.db2.gz CPBGJMYCRFCZRO-NEPJUHHUSA-N 2 0 293.323 0.400 20 5 CCBDRP [NH3+]CCc1ccn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n1 ZINC001167731087 811720097 /nfs/dbraw/zinc/72/00/97/811720097.db2.gz ZLIXZHBPEUSVQL-UHFFFAOYSA-N 2 0 273.296 0.885 20 5 CCBDRP Cc1ccc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736338 818545086 /nfs/dbraw/zinc/54/50/86/818545086.db2.gz FXZHELKSTHADJR-UHFFFAOYSA-N 2 0 278.316 0.892 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001170905063 839554944 /nfs/dbraw/zinc/55/49/44/839554944.db2.gz QVZQJVPEPQSWDJ-QMMMGPOBSA-N 2 0 264.289 0.678 20 5 CCBDRP COc1nc(C)c([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159784950 839577441 /nfs/dbraw/zinc/57/74/41/839577441.db2.gz MXCROKWOHWASME-ZETCQYMHSA-N 2 0 270.293 0.137 20 5 CCBDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434107 363131190 /nfs/dbraw/zinc/13/11/90/363131190.db2.gz QDGSAMZESNIPEF-UWVGGRQHSA-N 2 0 253.306 0.507 20 5 CCBDRP C[C@H]([NH3+])C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430928684 389835888 /nfs/dbraw/zinc/83/58/88/389835888.db2.gz VAAUUUJDTMAWSJ-JTQLQIEISA-N 2 0 267.333 0.851 20 5 CCBDRP C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982831 641287260 /nfs/dbraw/zinc/28/72/60/641287260.db2.gz IFAIMGAOXNWPLF-MWLCHTKSSA-N 2 0 280.328 0.816 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230506882 805608698 /nfs/dbraw/zinc/60/86/98/805608698.db2.gz JUEPUKQVQWXSBC-SECBINFHSA-N 2 0 293.347 0.508 20 5 CCBDRP CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786700 801872439 /nfs/dbraw/zinc/87/24/39/801872439.db2.gz HQTWBNLRUSNPGV-JTQLQIEISA-N 2 0 297.315 0.602 20 5 CCBDRP [NH3+]CCNCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246403399 807244151 /nfs/dbraw/zinc/24/41/51/807244151.db2.gz FMPLQCWEQVVNKK-AWEZNQCLSA-N 2 0 292.383 0.980 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246478173 807260448 /nfs/dbraw/zinc/26/04/48/807260448.db2.gz UJXZXOQVOBLBMX-KXNHARMFSA-N 2 0 259.325 0.969 20 5 CCBDRP O=[N+]([O-])c1cnc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc1C1C[NH2+]C1 ZINC001165392169 821058330 /nfs/dbraw/zinc/05/83/30/821058330.db2.gz BRJBCUIDEVWGDZ-ZJUUUORDSA-N 2 0 290.327 0.012 20 5 CCBDRP [NH3+]CCCCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005384 836094658 /nfs/dbraw/zinc/09/46/58/836094658.db2.gz TXWNFFFRNAATPW-KGLIPLIRSA-N 2 0 284.404 0.788 20 5 CCBDRP [NH3+]CCCCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005386 836095901 /nfs/dbraw/zinc/09/59/01/836095901.db2.gz TXWNFFFRNAATPW-ZIAGYGMSSA-N 2 0 284.404 0.788 20 5 CCBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001246543347 839948408 /nfs/dbraw/zinc/94/84/08/839948408.db2.gz MXYHMPVCYVUKII-AGIUHOORSA-N 2 0 271.361 0.608 20 5 CCBDRP O=[N+]([O-])c1c(NC[C@H]2CCCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001171330472 840792756 /nfs/dbraw/zinc/79/27/56/840792756.db2.gz SJIGMTXMLMVNEI-SNVBAGLBSA-N 2 0 292.343 0.626 20 5 CCBDRP C[N@H+](CCOCC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000600738116 362050488 /nfs/dbraw/zinc/05/04/88/362050488.db2.gz ZVMMKNOPKNAFLF-UHFFFAOYSA-N 2 0 283.328 0.881 20 5 CCBDRP Cn1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675233 362743126 /nfs/dbraw/zinc/74/31/26/362743126.db2.gz ZUNNLUNSOFFBSW-ZDUSSCGKSA-N 2 0 279.344 0.856 20 5 CCBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431037650 389847466 /nfs/dbraw/zinc/84/74/66/389847466.db2.gz LFGDEVWNSPDKFI-UHFFFAOYSA-N 2 0 279.344 0.867 20 5 CCBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]CC1 ZINC000435611171 389959373 /nfs/dbraw/zinc/95/93/73/389959373.db2.gz QITHFYQZVQTBOQ-LLVKDONJSA-N 2 0 267.333 0.865 20 5 CCBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000435619194 389959424 /nfs/dbraw/zinc/95/94/24/389959424.db2.gz WWRVQXFWDMJNQX-NSHDSACASA-N 2 0 267.333 0.865 20 5 CCBDRP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000420412122 389998524 /nfs/dbraw/zinc/99/85/24/389998524.db2.gz SDBDDKFGFACJNN-WDEREUQCSA-N 2 0 267.333 0.708 20 5 CCBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC([NH3+])CC1 ZINC000843354741 616127689 /nfs/dbraw/zinc/12/76/89/616127689.db2.gz FVWMQWJOHRQCGK-UHFFFAOYSA-N 2 0 267.333 0.993 20 5 CCBDRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000904369282 634735848 /nfs/dbraw/zinc/73/58/48/634735848.db2.gz RMNMYRGQMRRZFP-TXEJJXNPSA-N 2 0 291.355 0.849 20 5 CCBDRP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000923518532 640173826 /nfs/dbraw/zinc/17/38/26/640173826.db2.gz MULPNJMTFXNNPE-WDEREUQCSA-N 2 0 265.317 0.333 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159787197 801872116 /nfs/dbraw/zinc/87/21/16/801872116.db2.gz TWIWNXOGYMALAO-SECBINFHSA-N 2 0 264.289 0.907 20 5 CCBDRP C[NH+]1CCC(OC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001222503792 804908565 /nfs/dbraw/zinc/90/85/65/804908565.db2.gz GLDBLNCDMXBCGP-LLVKDONJSA-N 2 0 259.370 0.081 20 5 CCBDRP C[N@@H+]1CCCC[C@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701987 815484897 /nfs/dbraw/zinc/48/48/97/815484897.db2.gz JRVJGIGGUWALSH-QWHCGFSZSA-N 2 0 273.397 0.471 20 5 CCBDRP CC[C@@]([NH3+])(CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170864308 839458143 /nfs/dbraw/zinc/45/81/43/839458143.db2.gz SSYUDLAZKXBMTM-LBPRGKRZSA-N 2 0 266.301 0.667 20 5 CCBDRP COc1nc(C)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170896830 839539869 /nfs/dbraw/zinc/53/98/69/839539869.db2.gz AKFBTMNNLDCIAH-ZETCQYMHSA-N 2 0 270.293 0.137 20 5 CCBDRP Cc1c(F)cnc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899810 839548308 /nfs/dbraw/zinc/54/83/08/839548308.db2.gz XQOZHJFEHOKACK-QMMMGPOBSA-N 2 0 257.269 0.873 20 5 CCBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000342136850 137087504 /nfs/dbraw/zinc/08/75/04/137087504.db2.gz MKPADGAERQVWSR-QJPTWQEYSA-N 2 0 279.344 0.851 20 5 CCBDRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430620 363129510 /nfs/dbraw/zinc/12/95/10/363129510.db2.gz UAXTZXGAASDRNC-RKDXNWHRSA-N 2 0 253.306 0.497 20 5 CCBDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430730 363129529 /nfs/dbraw/zinc/12/95/29/363129529.db2.gz CGMRFJLSKNDOTQ-BDAKNGLRSA-N 2 0 253.306 0.507 20 5 CCBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000351491847 389592782 /nfs/dbraw/zinc/59/27/82/389592782.db2.gz KFLLBMWQPBTBGY-YUSALJHKSA-N 2 0 265.317 0.460 20 5 CCBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000420358876 389991413 /nfs/dbraw/zinc/99/14/13/389991413.db2.gz VCHCSRAPXGYLLZ-GFCCVEGCSA-N 2 0 296.327 0.175 20 5 CCBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108205 130265148 /nfs/dbraw/zinc/26/51/48/130265148.db2.gz QTOQPAGZANGTHG-RAIGVLPGSA-N 2 0 279.344 0.851 20 5 CCBDRP O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461799 640150541 /nfs/dbraw/zinc/15/05/41/640150541.db2.gz WDXKZJSLKNLGJO-UHFFFAOYSA-N 2 0 294.355 0.468 20 5 CCBDRP C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982829 641286870 /nfs/dbraw/zinc/28/68/70/641286870.db2.gz IFAIMGAOXNWPLF-GXSJLCMTSA-N 2 0 280.328 0.816 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159784605 801869780 /nfs/dbraw/zinc/86/97/80/801869780.db2.gz JUMDIJFPKUMBJJ-LLVKDONJSA-N 2 0 276.300 0.974 20 5 CCBDRP Cc1ccc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878688 812383416 /nfs/dbraw/zinc/38/34/16/812383416.db2.gz OEFSUAIRFCVXMC-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP CC1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168187967 814888116 /nfs/dbraw/zinc/88/81/16/814888116.db2.gz YJKNUASZFICMJP-UHFFFAOYSA-N 2 0 292.343 0.626 20 5 CCBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025971 836115881 /nfs/dbraw/zinc/11/58/81/836115881.db2.gz KIRQGKSLUIUJIM-UONOGXRCSA-N 2 0 286.420 0.857 20 5 CCBDRP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159788501 839580729 /nfs/dbraw/zinc/58/07/29/839580729.db2.gz JJAWXXHWJAKDFI-QMMMGPOBSA-N 2 0 297.319 0.087 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCNCC[NH3+] ZINC001246406137 839830410 /nfs/dbraw/zinc/83/04/10/839830410.db2.gz REUITGNWNNJAFZ-LLVKDONJSA-N 2 0 266.345 0.664 20 5 CCBDRP CCC1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168583343 897680330 /nfs/dbraw/zinc/68/03/30/897680330.db2.gz KBSVVBLHNKNLIR-UHFFFAOYSA-N 2 0 278.316 0.236 20 5 CCBDRP [NH3+]CCOCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088489 144059096 /nfs/dbraw/zinc/05/90/96/144059096.db2.gz XIDMMUSLIBOFNL-LLVKDONJSA-N 2 0 295.343 0.451 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159784607 801870492 /nfs/dbraw/zinc/87/04/92/801870492.db2.gz JUMDIJFPKUMBJJ-NSHDSACASA-N 2 0 276.300 0.974 20 5 CCBDRP [NH3+][C@@H]1CCC[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001162396517 802332574 /nfs/dbraw/zinc/33/25/74/802332574.db2.gz KOAYLYHVFMZLMZ-ZJUUUORDSA-N 2 0 292.343 0.753 20 5 CCBDRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246400793 807241669 /nfs/dbraw/zinc/24/16/69/807241669.db2.gz HXTCCKMPLHSQBY-MXWKQRLJSA-N 2 0 273.333 0.302 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246478172 807259930 /nfs/dbraw/zinc/25/99/30/807259930.db2.gz UJXZXOQVOBLBMX-BJDJZHNGSA-N 2 0 259.325 0.969 20 5 CCBDRP COc1ccc([N+](=O)[O-])nc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877817 812378518 /nfs/dbraw/zinc/37/85/18/812378518.db2.gz FALTWRZLLULWEV-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP [NH3+]CCCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984693 836079336 /nfs/dbraw/zinc/07/93/36/836079336.db2.gz QAHIGEJFZRVGDG-STQMWFEESA-N 2 0 270.377 0.398 20 5 CCBDRP C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005307 836095753 /nfs/dbraw/zinc/09/57/53/836095753.db2.gz AHUONQHUPREOHC-UONOGXRCSA-N 2 0 284.404 0.611 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ncc(F)cc1[N+](=O)[O-] ZINC001157093473 836795020 /nfs/dbraw/zinc/79/50/20/836795020.db2.gz BVCWDYSYWNULNX-UHFFFAOYSA-N 2 0 270.268 0.804 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899671 839547272 /nfs/dbraw/zinc/54/72/72/839547272.db2.gz KXCGGGALKQUNIP-LLVKDONJSA-N 2 0 282.300 0.817 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170900856 839549239 /nfs/dbraw/zinc/54/92/39/839549239.db2.gz QUDFTDOHUJLVRQ-SECBINFHSA-N 2 0 265.277 0.073 20 5 CCBDRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603430109 363128831 /nfs/dbraw/zinc/12/88/31/363128831.db2.gz SKFPPEXBRMQIOS-JTQLQIEISA-N 2 0 267.333 0.889 20 5 CCBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572175 389808396 /nfs/dbraw/zinc/80/83/96/389808396.db2.gz NMOBIHZQKSMOQB-WDEREUQCSA-N 2 0 267.333 0.851 20 5 CCBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763508 389861741 /nfs/dbraw/zinc/86/17/41/389861741.db2.gz SDVNBRSAWYEQSS-UWVGGRQHSA-N 2 0 253.306 0.460 20 5 CCBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420359684 389991217 /nfs/dbraw/zinc/99/12/17/389991217.db2.gz KARDHDFPVSCVSP-JTQLQIEISA-N 2 0 267.333 0.769 20 5 CCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334389 616150968 /nfs/dbraw/zinc/15/09/68/616150968.db2.gz HLIAXWRJBSIRME-YPMHNXCESA-N 2 0 297.359 0.226 20 5 CCBDRP O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460090 640143790 /nfs/dbraw/zinc/14/37/90/640143790.db2.gz LJQIHYQPIRJMGL-AWEZNQCLSA-N 2 0 294.355 0.123 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589435 808263792 /nfs/dbraw/zinc/26/37/92/808263792.db2.gz OSLAVKMIJIFMCD-AWEZNQCLSA-N 2 0 293.367 0.966 20 5 CCBDRP NC(=[NH2+])c1nccn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168417846 816155405 /nfs/dbraw/zinc/15/54/05/816155405.db2.gz NPABPTHYEAEPML-UHFFFAOYSA-N 2 0 272.268 0.668 20 5 CCBDRP [NH3+]Cc1ccnn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162594052 819321728 /nfs/dbraw/zinc/32/17/28/819321728.db2.gz YRQIOVVFLYSXMW-UHFFFAOYSA-N 2 0 259.269 0.842 20 5 CCBDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978084 836076754 /nfs/dbraw/zinc/07/67/54/836076754.db2.gz OGBQNRDLXMWYJM-KGLIPLIRSA-N 2 0 284.404 0.659 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972623 836090161 /nfs/dbraw/zinc/09/01/61/836090161.db2.gz NNGGQEOXLVNOIW-VXGBXAGGSA-N 2 0 256.350 0.008 20 5 CCBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC001170298118 837287537 /nfs/dbraw/zinc/28/75/37/837287537.db2.gz FPFBYIYEECAIKM-KOLCDFICSA-N 2 0 283.328 0.444 20 5 CCBDRP COc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1[N+](=O)[O-] ZINC001170897743 839542306 /nfs/dbraw/zinc/54/23/06/839542306.db2.gz JSNBDWGDFAYTOO-QMMMGPOBSA-N 2 0 255.278 0.434 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170897359 839543080 /nfs/dbraw/zinc/54/30/80/839543080.db2.gz FJBCIVJRARKHNM-VIFPVBQESA-N 2 0 264.289 0.907 20 5 CCBDRP COc1ccc([N+](=O)[O-])nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900102 839547964 /nfs/dbraw/zinc/54/79/64/839547964.db2.gz OYVDYBBVIFZCQW-QMMMGPOBSA-N 2 0 255.278 0.434 20 5 CCBDRP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159788500 839581289 /nfs/dbraw/zinc/58/12/89/839581289.db2.gz JJAWXXHWJAKDFI-MRVPVSSYSA-N 2 0 297.319 0.087 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159788498 839581555 /nfs/dbraw/zinc/58/15/55/839581555.db2.gz JHQOPDIRLXIVGK-JTQLQIEISA-N 2 0 276.300 0.974 20 5 CCBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572172 389808718 /nfs/dbraw/zinc/80/87/18/389808718.db2.gz NMOBIHZQKSMOQB-MNOVXSKESA-N 2 0 267.333 0.851 20 5 CCBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763512 389861414 /nfs/dbraw/zinc/86/14/14/389861414.db2.gz SDVNBRSAWYEQSS-ZJUUUORDSA-N 2 0 253.306 0.460 20 5 CCBDRP O=[N+]([O-])c1cnn(CCN2CCN(c3ncc[nH]3)CC2)c1 ZINC000567401951 390697750 /nfs/dbraw/zinc/69/77/50/390697750.db2.gz CJDMBHCZXMTOBM-UHFFFAOYSA-N 2 0 291.315 0.337 20 5 CCBDRP CC(C)[C@@H](C[NH2+]CC[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000905110878 614096836 /nfs/dbraw/zinc/09/68/36/614096836.db2.gz PFNOWWZSOJTMLX-GFCCVEGCSA-N 2 0 258.366 0.125 20 5 CCBDRP O=[N+]([O-])c1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460561 640149007 /nfs/dbraw/zinc/14/90/07/640149007.db2.gz FYSBBUXXTXUFLF-UHFFFAOYSA-N 2 0 294.355 0.468 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C[NH3+] ZINC000923495583 640161947 /nfs/dbraw/zinc/16/19/47/640161947.db2.gz CNBOKHMZXXDQFI-MNOVXSKESA-N 2 0 267.333 0.708 20 5 CCBDRP Nc1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157099280 801300836 /nfs/dbraw/zinc/30/08/36/801300836.db2.gz NXGCCFPYKAATQI-UHFFFAOYSA-N 2 0 267.293 0.247 20 5 CCBDRP C[NH+](C)CCOc1cc(NOCC[NH3+])ccc1[N+](=O)[O-] ZINC001164435749 802741748 /nfs/dbraw/zinc/74/17/48/802741748.db2.gz OZNZLZYTMOCJNB-UHFFFAOYSA-N 2 0 284.316 0.837 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)OCCC[NH+]1CCN(C)CC1 ZINC001206595842 803273573 /nfs/dbraw/zinc/27/35/73/803273573.db2.gz JHOUYRUWAUEZJO-AWEZNQCLSA-N 2 0 258.430 0.735 20 5 CCBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH3+] ZINC001254532831 808255694 /nfs/dbraw/zinc/25/56/94/808255694.db2.gz QRCVDVAPWFCSFK-ONGXEEELSA-N 2 0 253.302 0.435 20 5 CCBDRP C[NH+]1CCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964469 836088152 /nfs/dbraw/zinc/08/81/52/836088152.db2.gz TVQLNQCDKNTQRX-CHWSQXEVSA-N 2 0 270.377 0.269 20 5 CCBDRP CCOc1cnc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897995 839545850 /nfs/dbraw/zinc/54/58/50/839545850.db2.gz KRSYHBLOBBDRKK-SNVBAGLBSA-N 2 0 269.305 0.824 20 5 CCBDRP CN1CC[NH+]([C@H]2CC[C@@H]([NH2+]CC[N+](=O)[O-])CC2)CC1 ZINC001353338251 925803491 /nfs/dbraw/zinc/80/34/91/925803491.db2.gz DMKNMQUJOFMRKK-BETUJISGSA-N 2 0 270.377 0.411 20 5 CCBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000071148679 348904393 /nfs/dbraw/zinc/90/43/93/348904393.db2.gz CHEYJILSTATVHH-UHFFFAOYSA-N 2 0 278.356 0.932 20 5 CCBDRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000158155754 350654602 /nfs/dbraw/zinc/65/46/02/350654602.db2.gz GZDFZVCTQONGLA-WZRBSPASSA-N 2 0 297.359 0.225 20 5 CCBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905110096 615160009 /nfs/dbraw/zinc/16/00/09/615160009.db2.gz HFHDZMXBMVVCOO-GFCCVEGCSA-N 2 0 258.366 0.126 20 5 CCBDRP C[NH+](CC[N+](=O)[O-])[C@H]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])CC1 ZINC000931738771 616123393 /nfs/dbraw/zinc/12/33/93/616123393.db2.gz XMPNXSMLOUZRCO-HAQNSBGRSA-N 2 0 288.348 0.715 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891947 803924372 /nfs/dbraw/zinc/92/43/72/803924372.db2.gz MIHWMZVMPTVLAO-CRWXNKLISA-N 2 0 257.398 0.865 20 5 CCBDRP Cn1ccnc1C[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001262235614 809254375 /nfs/dbraw/zinc/25/43/75/809254375.db2.gz JAPCBGXTSYTUFM-LLVKDONJSA-N 2 0 252.318 0.951 20 5 CCBDRP C[NH+]1CCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964472 836087541 /nfs/dbraw/zinc/08/75/41/836087541.db2.gz TVQLNQCDKNTQRX-STQMWFEESA-N 2 0 270.377 0.269 20 5 CCBDRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036520 836109998 /nfs/dbraw/zinc/10/99/98/836109998.db2.gz GIAAVTQZLIVKQL-NDBYEHHHSA-N 2 0 253.346 0.925 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170902460 839553525 /nfs/dbraw/zinc/55/35/25/839553525.db2.gz CSTZUWHZUNUGII-LLVKDONJSA-N 2 0 282.300 0.817 20 5 CCBDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557024 348456507 /nfs/dbraw/zinc/45/65/07/348456507.db2.gz ZZFKQYHNYZWMRV-ZYHUDNBSSA-N 2 0 285.348 0.082 20 5 CCBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786813 389863199 /nfs/dbraw/zinc/86/31/99/389863199.db2.gz ZYMJDEUVGNLPKY-ZJUUUORDSA-N 2 0 253.306 0.460 20 5 CCBDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000420359685 389991514 /nfs/dbraw/zinc/99/15/14/389991514.db2.gz KARDHDFPVSCVSP-SNVBAGLBSA-N 2 0 267.333 0.769 20 5 CCBDRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000923460277 640144014 /nfs/dbraw/zinc/14/40/14/640144014.db2.gz LZOXLRDOZPRBKJ-UHFFFAOYSA-N 2 0 278.356 0.898 20 5 CCBDRP C[NH+]1CC(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001159222796 801776325 /nfs/dbraw/zinc/77/63/25/801776325.db2.gz UIQWRDCHVHPXLB-UHFFFAOYSA-N 2 0 278.316 0.045 20 5 CCBDRP O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)nc1C1C[NH2+]C1 ZINC001160154852 801911499 /nfs/dbraw/zinc/91/14/99/801911499.db2.gz PZPBPGZANKUFJV-SNVBAGLBSA-N 2 0 292.343 0.626 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638117 840218487 /nfs/dbraw/zinc/21/84/87/840218487.db2.gz AURBZLFIEXIHMR-JHJVBQTASA-N 2 0 268.361 0.069 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C[NH3+] ZINC001173210072 842022416 /nfs/dbraw/zinc/02/24/16/842022416.db2.gz HPJDVMQHMQHBEW-JOYOIKCWSA-N 2 0 253.302 0.435 20 5 CCBDRP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000311016735 137073689 /nfs/dbraw/zinc/07/36/89/137073689.db2.gz YFVLBQRWLAUWIO-LBPRGKRZSA-N 2 0 253.302 0.389 20 5 CCBDRP [NH3+]CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000420315747 389982768 /nfs/dbraw/zinc/98/27/68/389982768.db2.gz LHGAFSXAKUDADQ-JTQLQIEISA-N 2 0 265.317 0.825 20 5 CCBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420361369 389992084 /nfs/dbraw/zinc/99/20/84/389992084.db2.gz MEGAVLQCUSLKNR-NSHDSACASA-N 2 0 267.333 0.769 20 5 CCBDRP [NH3+]CCOCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000357088490 144059037 /nfs/dbraw/zinc/05/90/37/144059037.db2.gz XIDMMUSLIBOFNL-NSHDSACASA-N 2 0 295.343 0.451 20 5 CCBDRP C[NH+](C)CCOc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905089035 615910931 /nfs/dbraw/zinc/91/09/31/615910931.db2.gz LCOYGBWERCFDDM-UHFFFAOYSA-N 2 0 267.329 0.993 20 5 CCBDRP C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923376794 616126086 /nfs/dbraw/zinc/12/60/86/616126086.db2.gz OZDIPTZEGSLNTP-UBHSHLNASA-N 2 0 279.340 0.920 20 5 CCBDRP O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc1C1C[NH2+]C1 ZINC001165297797 802817838 /nfs/dbraw/zinc/81/78/38/802817838.db2.gz LEFAZIYNYSKZJO-VHSXEESVSA-N 2 0 290.327 0.012 20 5 CCBDRP C[NH+]1CCC(COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224451322 805039502 /nfs/dbraw/zinc/03/95/02/805039502.db2.gz VPGHQKRGBUZNNE-CYBMUJFWSA-N 2 0 273.397 0.329 20 5 CCBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025970 836115016 /nfs/dbraw/zinc/11/50/16/836115016.db2.gz KIRQGKSLUIUJIM-KGLIPLIRSA-N 2 0 286.420 0.857 20 5 CCBDRP O=[N+]([O-])c1c(NCC[C@H]2CCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001169564556 836356413 /nfs/dbraw/zinc/35/64/13/836356413.db2.gz QRSOCKBITQPELE-SNVBAGLBSA-N 2 0 292.343 0.626 20 5 CCBDRP COc1ccc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170894079 839538712 /nfs/dbraw/zinc/53/87/12/839538712.db2.gz GURRSQVGVJDWFZ-MRVPVSSYSA-N 2 0 255.278 0.434 20 5 CCBDRP CNc1cc([N+](=O)[O-])cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896543 839539678 /nfs/dbraw/zinc/53/96/78/839539678.db2.gz GSISXADFTYXJGQ-VIFPVBQESA-N 2 0 254.294 0.467 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001170905061 839556107 /nfs/dbraw/zinc/55/61/07/839556107.db2.gz QVZQJVPEPQSWDJ-MRVPVSSYSA-N 2 0 264.289 0.678 20 5 CCBDRP C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000420398580 389996858 /nfs/dbraw/zinc/99/68/58/389996858.db2.gz GZCJRNMYECDOOB-WDEREUQCSA-N 2 0 267.333 0.708 20 5 CCBDRP C[NH+]1CCC(N2CCC([NH2+]CC[N+](=O)[O-])CC2)CC1 ZINC000905079441 616172513 /nfs/dbraw/zinc/17/25/13/616172513.db2.gz ICGTUSJIOJKUSY-UHFFFAOYSA-N 2 0 270.377 0.411 20 5 CCBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931442359 648990426 /nfs/dbraw/zinc/99/04/26/648990426.db2.gz DLXQZVCLTGCUDN-OLZOCXBDSA-N 2 0 293.371 0.983 20 5 CCBDRP [NH3+][C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001154989628 800886337 /nfs/dbraw/zinc/88/63/37/800886337.db2.gz RMGRQNLMDFLZCL-ZJUUUORDSA-N 2 0 292.343 0.753 20 5 CCBDRP COc1cc(N[C@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159784902 801869350 /nfs/dbraw/zinc/86/93/50/801869350.db2.gz LXKXAYAVAJJWKN-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1NC[C@@]13C[NH2+][C@@H](CO1)C3)C[NH2+]C2 ZINC001163203055 802506666 /nfs/dbraw/zinc/50/66/66/802506666.db2.gz QCYODHSCEGAOTN-BXUZGUMPSA-N 2 0 290.323 0.741 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578840 807301166 /nfs/dbraw/zinc/30/11/66/807301166.db2.gz CUFCMEIGGCJHSG-OSMZGAPFSA-N 2 0 279.340 0.777 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612660 807324618 /nfs/dbraw/zinc/32/46/18/807324618.db2.gz BUDLLLQITIONPQ-XUXIUFHCSA-N 2 0 282.388 0.458 20 5 CCBDRP CN(CC[NH3+])CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581918 808262430 /nfs/dbraw/zinc/26/24/30/808262430.db2.gz QECWHBBKTFLCHI-CYBMUJFWSA-N 2 0 278.356 0.542 20 5 CCBDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978083 836076415 /nfs/dbraw/zinc/07/64/15/836076415.db2.gz OGBQNRDLXMWYJM-KBPBESRZSA-N 2 0 284.404 0.659 20 5 CCBDRP C[NH+](C)CCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005306 836096027 /nfs/dbraw/zinc/09/60/27/836096027.db2.gz AHUONQHUPREOHC-KGLIPLIRSA-N 2 0 284.404 0.611 20 5 CCBDRP COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170906606 839555211 /nfs/dbraw/zinc/55/52/11/839555211.db2.gz XESVUFUYIBPZCX-VIFPVBQESA-N 2 0 283.288 0.212 20 5 CCBDRP C[N@@H+]1CC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445530 357208865 /nfs/dbraw/zinc/20/88/65/357208865.db2.gz XLPBJZTYWZLLED-ZDUSSCGKSA-N 2 0 279.344 0.819 20 5 CCBDRP CC(C)[C@](C)(C[NH3+])[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000430584044 389810065 /nfs/dbraw/zinc/81/00/65/389810065.db2.gz NVZLUEYUCHWIDS-NSHDSACASA-N 2 0 255.322 0.754 20 5 CCBDRP C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000420398575 389996790 /nfs/dbraw/zinc/99/67/90/389996790.db2.gz GZCJRNMYECDOOB-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP COc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000923461790 617250417 /nfs/dbraw/zinc/25/04/17/617250417.db2.gz VZLIXFWAQQOUIJ-UHFFFAOYSA-N 2 0 294.355 0.598 20 5 CCBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC([NH3+])CC1 ZINC000844221349 616127687 /nfs/dbraw/zinc/12/76/87/616127687.db2.gz WVPMOAFZJIIIFM-UHFFFAOYSA-N 2 0 267.333 0.993 20 5 CCBDRP Cc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157094792 801299486 /nfs/dbraw/zinc/29/94/86/801299486.db2.gz WCMUDDRVRPCYGL-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP CC(C)([NH3+])CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160033000 801901125 /nfs/dbraw/zinc/90/11/25/801901125.db2.gz FEBLLPPLDYAZLV-UHFFFAOYSA-N 2 0 266.305 0.221 20 5 CCBDRP C[N@@H+]1[C@@H]2C[C@@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623715 815346855 /nfs/dbraw/zinc/34/68/55/815346855.db2.gz QBCOGBHSXVADIA-IACUBPJLSA-N 2 0 255.382 0.904 20 5 CCBDRP N=c1cc(C[NH3+])ccn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167692758 811427109 /nfs/dbraw/zinc/42/71/09/811427109.db2.gz TYRMNKCLHZBDLZ-UHFFFAOYSA-N 2 0 285.307 0.927 20 5 CCBDRP C[N@@H+]1CCCC[C@@H]1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224701985 815485104 /nfs/dbraw/zinc/48/51/04/815485104.db2.gz JRVJGIGGUWALSH-CHWSQXEVSA-N 2 0 273.397 0.471 20 5 CCBDRP C[C@@H]([NH3+])c1ccn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001169231640 836167408 /nfs/dbraw/zinc/16/74/08/836167408.db2.gz ONQJOWCKSWTTAM-SSDOTTSWSA-N 2 0 289.299 0.277 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170901324 839548343 /nfs/dbraw/zinc/54/83/43/839548343.db2.gz ZGQRUEKRFQHPKU-LBPRGKRZSA-N 3 0 265.317 0.634 20 5 CCBDRP Cn1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000602675232 362743170 /nfs/dbraw/zinc/74/31/70/362743170.db2.gz ZUNNLUNSOFFBSW-CYBMUJFWSA-N 2 0 279.344 0.856 20 5 CCBDRP CC(C)[C@](C)(C[NH3+])NCc1cn(C)nc1[N+](=O)[O-] ZINC000603430626 363129750 /nfs/dbraw/zinc/12/97/50/363129750.db2.gz UHRAONYSROFUKC-NSHDSACASA-N 2 0 255.322 0.791 20 5 CCBDRP COc1cc(C)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159783031 801868755 /nfs/dbraw/zinc/86/87/55/801868755.db2.gz AOKJBRPCBPKAJO-VIFPVBQESA-N 2 0 269.305 0.742 20 5 CCBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168959550 836083056 /nfs/dbraw/zinc/08/30/56/836083056.db2.gz WMHXSOKPWJZAHC-KBPBESRZSA-N 2 0 284.404 0.659 20 5 CCBDRP C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001170568217 838132569 /nfs/dbraw/zinc/13/25/69/838132569.db2.gz FNMJUIOYPYORSU-OTYXRUKQSA-N 2 0 292.339 0.987 20 5 CCBDRP COc1ccc([N+](=O)[O-])nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900098 839546401 /nfs/dbraw/zinc/54/64/01/839546401.db2.gz OYVDYBBVIFZCQW-MRVPVSSYSA-N 2 0 255.278 0.434 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423435838 389587266 /nfs/dbraw/zinc/58/72/66/389587266.db2.gz SQNWXKWERSBXSX-OSMZGAPFSA-N 2 0 279.340 0.696 20 5 CCBDRP [NH3+]CC1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420400965 389997141 /nfs/dbraw/zinc/99/71/41/389997141.db2.gz FTVIZDJFDTYYBB-UHFFFAOYSA-N 2 0 295.339 0.759 20 5 CCBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000342109240 130265659 /nfs/dbraw/zinc/26/56/59/130265659.db2.gz QTOQPAGZANGTHG-WCFLWFBJSA-N 2 0 279.344 0.851 20 5 CCBDRP CC(C)[C@H](C[NH2+]CC[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000905110886 614210017 /nfs/dbraw/zinc/21/00/17/614210017.db2.gz PFNOWWZSOJTMLX-LBPRGKRZSA-N 2 0 258.366 0.125 20 5 CCBDRP O=[N+]([O-])CC[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000905080431 634790193 /nfs/dbraw/zinc/79/01/93/634790193.db2.gz MGEISBVNOIDWOZ-UHFFFAOYSA-N 2 0 293.371 0.460 20 5 CCBDRP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923490371 640163426 /nfs/dbraw/zinc/16/34/26/640163426.db2.gz NDKYDOXWMYTCQD-VHSXEESVSA-N 2 0 267.333 0.745 20 5 CCBDRP [NH3+][C@H]1CCC[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001162396516 802332467 /nfs/dbraw/zinc/33/24/67/802332467.db2.gz KOAYLYHVFMZLMZ-VHSXEESVSA-N 2 0 292.343 0.753 20 5 CCBDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573832 808261579 /nfs/dbraw/zinc/26/15/79/808261579.db2.gz CPBGJMYCRFCZRO-VXGBXAGGSA-N 2 0 293.323 0.400 20 5 CCBDRP CN1CCC(CO)([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009360 836097334 /nfs/dbraw/zinc/09/73/34/836097334.db2.gz VUNMTUQTBDDUBI-VXGBXAGGSA-N 2 0 271.361 0.478 20 5 CCBDRP CCOC(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897779 839543295 /nfs/dbraw/zinc/54/32/95/839543295.db2.gz KBVZFTMFMKQKGR-SNVBAGLBSA-N 2 0 297.315 0.602 20 5 CCBDRP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000311016734 137073489 /nfs/dbraw/zinc/07/34/89/137073489.db2.gz YFVLBQRWLAUWIO-GFCCVEGCSA-N 2 0 253.302 0.389 20 5 CCBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000342136842 137087541 /nfs/dbraw/zinc/08/75/41/137087541.db2.gz MKPADGAERQVWSR-GRYCIOLGSA-N 2 0 279.344 0.851 20 5 CCBDRP C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427146 363127364 /nfs/dbraw/zinc/12/73/64/363127364.db2.gz BUESIVMCQZRMTQ-PSASIEDQSA-N 2 0 253.306 0.497 20 5 CCBDRP C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000603427149 363127660 /nfs/dbraw/zinc/12/76/60/363127660.db2.gz BUESIVMCQZRMTQ-WCBMZHEXSA-N 2 0 253.306 0.497 20 5 CCBDRP C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000603429019 363128408 /nfs/dbraw/zinc/12/84/08/363128408.db2.gz LAXPENCGVDJHAW-ZJUUUORDSA-N 2 0 267.333 0.745 20 5 CCBDRP C[NH+](C)CCNc1ncnc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000603267985 420493261 /nfs/dbraw/zinc/49/32/61/420493261.db2.gz OXUKSFWIGHDLMY-UHFFFAOYSA-N 2 0 297.363 0.332 20 5 CCBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503821 534889033 /nfs/dbraw/zinc/88/90/33/534889033.db2.gz GUGHLCZABYHCTI-UHFFFAOYSA-N 2 0 279.344 0.867 20 5 CCBDRP Cc1c(CN2CC[NH2+]CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000923461077 640149615 /nfs/dbraw/zinc/14/96/15/640149615.db2.gz LIXVEYZMXNZZPW-UHFFFAOYSA-N 2 0 278.356 0.898 20 5 CCBDRP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001157910586 801517016 /nfs/dbraw/zinc/51/70/16/801517016.db2.gz MCWYEPCTIOYCDF-UHFFFAOYSA-N 2 0 278.316 0.892 20 5 CCBDRP C[NH+](C)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161669033 802196482 /nfs/dbraw/zinc/19/64/82/802196482.db2.gz WHYJGKYWPQCZMY-UHFFFAOYSA-N 2 0 266.305 0.045 20 5 CCBDRP C[NH+](C)CCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161731274 802209942 /nfs/dbraw/zinc/20/99/42/802209942.db2.gz YPTWVADFUGWSEU-UHFFFAOYSA-N 2 0 294.359 0.825 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246478175 807260021 /nfs/dbraw/zinc/26/00/21/807260021.db2.gz UJXZXOQVOBLBMX-YFKTTZPYSA-N 2 0 259.325 0.969 20 5 CCBDRP COc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1[N+](=O)[O-] ZINC001167877518 812372073 /nfs/dbraw/zinc/37/20/73/812372073.db2.gz DVOQDMOATMKFPW-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP [NH3+][C@H]1COC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162925243 819884029 /nfs/dbraw/zinc/88/40/29/819884029.db2.gz UWRAALCSPUVERE-GXSJLCMTSA-N 2 0 264.285 0.336 20 5 CCBDRP [NH3+]Cc1cnnn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169309703 836208138 /nfs/dbraw/zinc/20/81/38/836208138.db2.gz KDMDRKOCRTXKED-UHFFFAOYSA-N 2 0 260.257 0.237 20 5 CCBDRP C[C@@H]([NH3+])CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170889465 839532619 /nfs/dbraw/zinc/53/26/19/839532619.db2.gz DOXGBRKZYUKOSI-SSDOTTSWSA-N 2 0 266.305 0.221 20 5 CCBDRP COc1cc([N+](=O)[O-])cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170894509 839552368 /nfs/dbraw/zinc/55/23/68/839552368.db2.gz JDOWQZJYMKTBTB-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP CC[C@]([NH3+])(CO)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001159744288 839565621 /nfs/dbraw/zinc/56/56/21/839565621.db2.gz PLFIVWRXLZKYBM-URWSZGRFSA-N 2 0 295.343 0.991 20 5 CCBDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000049557021 348456556 /nfs/dbraw/zinc/45/65/56/348456556.db2.gz ZZFKQYHNYZWMRV-JQWIXIFHSA-N 2 0 285.348 0.082 20 5 CCBDRP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000071150895 388956387 /nfs/dbraw/zinc/95/63/87/388956387.db2.gz GTSWHSJPHWGYFP-UHFFFAOYSA-N 2 0 292.383 0.974 20 5 CCBDRP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000420412119 389998478 /nfs/dbraw/zinc/99/84/78/389998478.db2.gz SDBDDKFGFACJNN-QWRGUYRKSA-N 2 0 267.333 0.708 20 5 CCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334380 616150821 /nfs/dbraw/zinc/15/08/21/616150821.db2.gz HLIAXWRJBSIRME-AAEUAGOBSA-N 2 0 297.359 0.226 20 5 CCBDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817944755 641281408 /nfs/dbraw/zinc/28/14/08/641281408.db2.gz LEXNZMFRXSPSKG-LLVKDONJSA-N 2 0 293.371 0.733 20 5 CCBDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000037894013 800001751 /nfs/dbraw/zinc/00/17/51/800001751.db2.gz BLLIIONZFYDMKR-YPMHNXCESA-N 2 0 297.359 0.084 20 5 CCBDRP Cc1ncc([N+](=O)[O-])c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162289856 802300788 /nfs/dbraw/zinc/30/07/88/802300788.db2.gz AXDFNVVUZWQAJK-UHFFFAOYSA-N 2 0 282.348 0.824 20 5 CCBDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168978086 836076392 /nfs/dbraw/zinc/07/63/92/836076392.db2.gz OGBQNRDLXMWYJM-ZIAGYGMSSA-N 2 0 284.404 0.659 20 5 CCBDRP [NH3+]CCCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005385 836095509 /nfs/dbraw/zinc/09/55/09/836095509.db2.gz TXWNFFFRNAATPW-UONOGXRCSA-N 2 0 284.404 0.788 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170899023 839544431 /nfs/dbraw/zinc/54/44/31/839544431.db2.gz GWXUTIZLOZJNBX-JTQLQIEISA-N 2 0 264.289 0.678 20 5 CCBDRP COc1ncc([N+](=O)[O-])cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899903 839547099 /nfs/dbraw/zinc/54/70/99/839547099.db2.gz NHBOENDJFDGELX-SECBINFHSA-N 2 0 255.278 0.434 20 5 CCBDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000226874589 352034893 /nfs/dbraw/zinc/03/48/93/352034893.db2.gz GZDFZVCTQONGLA-NTZNESFSSA-N 2 0 297.359 0.225 20 5 CCBDRP C[N@@H+]1CC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000366445529 357209479 /nfs/dbraw/zinc/20/94/79/357209479.db2.gz XLPBJZTYWZLLED-CYBMUJFWSA-N 2 0 279.344 0.819 20 5 CCBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000593733325 360143487 /nfs/dbraw/zinc/14/34/87/360143487.db2.gz LKOZFYKFIZBCPU-AAEUAGOBSA-N 2 0 279.344 0.852 20 5 CCBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595902262 360697850 /nfs/dbraw/zinc/69/78/50/360697850.db2.gz QEJGPVGIPQPYFH-UHFFFAOYSA-N 2 0 279.340 0.841 20 5 CCBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000351498883 389595810 /nfs/dbraw/zinc/59/58/10/389595810.db2.gz WLKFSQQQMOHJNT-GMTAPVOTSA-N 2 0 265.317 0.460 20 5 CCBDRP [NH3+]CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000443064132 389872660 /nfs/dbraw/zinc/87/26/60/389872660.db2.gz BWRBLDFUQHTALE-NSHDSACASA-N 2 0 267.333 0.852 20 5 CCBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352526546 389825866 /nfs/dbraw/zinc/82/58/66/389825866.db2.gz OVBFUYCBPGSGML-LLVKDONJSA-N 2 0 267.333 0.995 20 5 CCBDRP CC[NH+]1CCN(CCCC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905110316 615157645 /nfs/dbraw/zinc/15/76/45/615157645.db2.gz MGNUZSFWVQPSGI-UHFFFAOYSA-N 2 0 258.366 0.270 20 5 CCBDRP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923490372 640163032 /nfs/dbraw/zinc/16/30/32/640163032.db2.gz NDKYDOXWMYTCQD-ZJUUUORDSA-N 2 0 267.333 0.745 20 5 CCBDRP COc1ccc(C[C@@H](C)[NH2+]CCNCC[NH3+])c([N+](=O)[O-])c1 ZINC001246406744 807244779 /nfs/dbraw/zinc/24/47/79/807244779.db2.gz UMQMRDDVUUHGQU-LLVKDONJSA-N 2 0 296.371 0.672 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607731 807322039 /nfs/dbraw/zinc/32/20/39/807322039.db2.gz XIHQZENEZHTQOY-OLZOCXBDSA-N 2 0 282.388 0.459 20 5 CCBDRP COc1ccc(C[C@@H](C)N(CC[NH3+])CC[NH3+])c([N+](=O)[O-])c1 ZINC001246831940 807398582 /nfs/dbraw/zinc/39/85/82/807398582.db2.gz PCBOYVRCEPGYGB-LLVKDONJSA-N 2 0 296.371 0.754 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2nccn2c1 ZINC001233748656 816398257 /nfs/dbraw/zinc/39/82/57/816398257.db2.gz KZWSCBCSSLRUJS-LLVKDONJSA-N 2 0 278.332 0.697 20 5 CCBDRP Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCCC[NH2+]CCCC[NH3+] ZINC001162292294 818739373 /nfs/dbraw/zinc/73/93/73/818739373.db2.gz MNIGMBNSXULOAF-UHFFFAOYSA-N 2 0 297.359 0.667 20 5 CCBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC001170298120 837287738 /nfs/dbraw/zinc/28/77/38/837287738.db2.gz FPFBYIYEECAIKM-ONGXEEELSA-N 2 0 283.328 0.444 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170896963 839540226 /nfs/dbraw/zinc/54/02/26/839540226.db2.gz IKHGPZBSXSNXRJ-SNVBAGLBSA-N 2 0 276.300 0.974 20 5 CCBDRP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521848 232120305 /nfs/dbraw/zinc/12/03/05/232120305.db2.gz YUDDOVZDCYFGES-UHFFFAOYSA-N 2 0 279.344 0.904 20 5 CCBDRP O=[N+]([O-])c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000205307005 351924744 /nfs/dbraw/zinc/92/47/44/351924744.db2.gz OGABUZTYDJNOOD-UHFFFAOYSA-N 2 0 278.356 0.980 20 5 CCBDRP C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443629 389686095 /nfs/dbraw/zinc/68/60/95/389686095.db2.gz LXWFEASULJXOOZ-MNOVXSKESA-N 2 0 267.333 0.864 20 5 CCBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859752 389700745 /nfs/dbraw/zinc/70/07/45/389700745.db2.gz DKCDNKYIUVBSEK-ZJUUUORDSA-N 2 0 253.306 0.460 20 5 CCBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862756 389701737 /nfs/dbraw/zinc/70/17/37/389701737.db2.gz QHYBHSXWMCXQDN-NXEZZACHSA-N 2 0 253.306 0.460 20 5 CCBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000430642889 389815908 /nfs/dbraw/zinc/81/59/08/389815908.db2.gz PUMXXKCBTZMCFY-UHFFFAOYSA-N 2 0 253.306 0.475 20 5 CCBDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000225264340 799711562 /nfs/dbraw/zinc/71/15/62/799711562.db2.gz BLLIIONZFYDMKR-DGCLKSJQSA-N 2 0 297.359 0.084 20 5 CCBDRP CCC1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[NH2+]C1 ZINC001157787681 801483873 /nfs/dbraw/zinc/48/38/73/801483873.db2.gz KNPMMCHIFCMDFU-UHFFFAOYSA-N 2 0 278.316 0.236 20 5 CCBDRP COc1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159784901 801869399 /nfs/dbraw/zinc/86/93/99/801869399.db2.gz LXKXAYAVAJJWKN-SECBINFHSA-N 2 0 255.278 0.434 20 5 CCBDRP [NH3+]CCCC[NH2+]CCCNc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001162289321 802300871 /nfs/dbraw/zinc/30/08/71/802300871.db2.gz OGSZBVNGQBLHCZ-UHFFFAOYSA-N 2 0 283.332 0.359 20 5 CCBDRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001246580682 807304029 /nfs/dbraw/zinc/30/40/29/807304029.db2.gz NLHKUJGYHSMSSS-YUTCNCBUSA-N 2 0 277.324 0.313 20 5 CCBDRP [NH3+]CCc1cnn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001168950034 836069960 /nfs/dbraw/zinc/06/99/60/836069960.db2.gz SSVVGOIXSCMHAT-UHFFFAOYSA-N 2 0 273.296 0.885 20 5 CCBDRP C[NH+]1CCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168964470 836088660 /nfs/dbraw/zinc/08/86/60/836088660.db2.gz TVQLNQCDKNTQRX-OLZOCXBDSA-N 2 0 270.377 0.269 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1NC[C@H]1COCC[NH2+]1)C[NH2+]C2 ZINC001170046149 836786341 /nfs/dbraw/zinc/78/63/41/836786341.db2.gz ZKZLDCMXDLGWHE-NSHDSACASA-N 2 0 278.312 0.598 20 5 CCBDRP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H](C)[NH2+]1 ZINC001158184504 837965893 /nfs/dbraw/zinc/96/58/93/837965893.db2.gz FOZQEVUBBPZYIN-RKDXNWHRSA-N 2 0 292.343 0.258 20 5 CCBDRP CCOc1cnc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897990 839545992 /nfs/dbraw/zinc/54/59/92/839545992.db2.gz KRSYHBLOBBDRKK-JTQLQIEISA-N 2 0 269.305 0.824 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899673 839547870 /nfs/dbraw/zinc/54/78/70/839547870.db2.gz KXCGGGALKQUNIP-NSHDSACASA-N 2 0 282.300 0.817 20 5 CCBDRP CN(C)CC[NH+]1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC001353279079 925778808 /nfs/dbraw/zinc/77/88/08/925778808.db2.gz XXVPNAGXHXJTNG-UHFFFAOYSA-N 2 0 258.366 0.126 20 5 CCBDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430735 363129342 /nfs/dbraw/zinc/12/93/42/363129342.db2.gz CGMRFJLSKNDOTQ-RKDXNWHRSA-N 2 0 253.306 0.507 20 5 CCBDRP COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414866186 389641620 /nfs/dbraw/zinc/64/16/20/389641620.db2.gz MJCQAMXTSDMLCS-UHFFFAOYSA-N 2 0 294.355 0.598 20 5 CCBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C[NH3+] ZINC000430593243 389810897 /nfs/dbraw/zinc/81/08/97/389810897.db2.gz RZVHMGFCXKOZEL-UHFFFAOYSA-N 2 0 255.322 0.708 20 5 CCBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905110097 615159130 /nfs/dbraw/zinc/15/91/30/615159130.db2.gz HFHDZMXBMVVCOO-LBPRGKRZSA-N 2 0 258.366 0.126 20 5 CCBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2)CC1 ZINC000905107755 616172162 /nfs/dbraw/zinc/17/21/62/616172162.db2.gz AQXNZEAYSHUQNT-LLVKDONJSA-N 2 0 256.350 0.021 20 5 CCBDRP Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159780317 801868777 /nfs/dbraw/zinc/86/87/77/801868777.db2.gz XMUSMULDXCURFN-ZCFIWIBFSA-N 2 0 274.712 0.782 20 5 CCBDRP CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163600786 802575667 /nfs/dbraw/zinc/57/56/67/802575667.db2.gz PWJGWMHFKZAXDP-UHFFFAOYSA-N 2 0 294.359 0.460 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578839 807299802 /nfs/dbraw/zinc/29/98/02/807299802.db2.gz CUFCMEIGGCJHSG-JKOKRWQUSA-N 2 0 279.340 0.777 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168972612 836089353 /nfs/dbraw/zinc/08/93/53/836089353.db2.gz NNGGQEOXLVNOIW-NEPJUHHUSA-N 2 0 256.350 0.008 20 5 CCBDRP CN(CC[NH3+])CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170502599 837857339 /nfs/dbraw/zinc/85/73/39/837857339.db2.gz FBIKBCMOYWPIBE-UHFFFAOYSA-N 2 0 279.344 0.500 20 5 CCBDRP COc1nc(N[C@H]([NH3+])CCC[NH3+])nc(C)c1[N+](=O)[O-] ZINC001170897729 839542684 /nfs/dbraw/zinc/54/26/84/839542684.db2.gz JLPFBEVIONVMTJ-ZETCQYMHSA-N 2 0 270.293 0.137 20 5 CCBDRP COc1nc(C)c([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159784949 839577358 /nfs/dbraw/zinc/57/73/58/839577358.db2.gz MXCROKWOHWASME-SSDOTTSWSA-N 2 0 270.293 0.137 20 5 CCBDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434106 363131087 /nfs/dbraw/zinc/13/10/87/363131087.db2.gz QDGSAMZESNIPEF-NXEZZACHSA-N 2 0 253.306 0.507 20 5 CCBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430572174 389808121 /nfs/dbraw/zinc/80/81/21/389808121.db2.gz NMOBIHZQKSMOQB-QWRGUYRKSA-N 2 0 267.333 0.851 20 5 CCBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573958 389809011 /nfs/dbraw/zinc/80/90/11/389809011.db2.gz NIYQPBYHVADECB-GHMZBOCLSA-N 2 0 267.333 0.851 20 5 CCBDRP C[C@@](C[NH3+])([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000430590815 389810727 /nfs/dbraw/zinc/81/07/27/389810727.db2.gz ITTCULUYAJJSRU-NSHDSACASA-N 2 0 253.306 0.508 20 5 CCBDRP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060894 389872733 /nfs/dbraw/zinc/87/27/33/389872733.db2.gz HOSKSVPMVJMTHW-JTQLQIEISA-N 2 0 267.333 0.889 20 5 CCBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763510 389861559 /nfs/dbraw/zinc/86/15/59/389861559.db2.gz SDVNBRSAWYEQSS-VHSXEESVSA-N 2 0 253.306 0.460 20 5 CCBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619193 389959214 /nfs/dbraw/zinc/95/92/14/389959214.db2.gz WWRVQXFWDMJNQX-LLVKDONJSA-N 2 0 267.333 0.865 20 5 CCBDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000420361367 389991840 /nfs/dbraw/zinc/99/18/40/389991840.db2.gz MEGAVLQCUSLKNR-LLVKDONJSA-N 2 0 267.333 0.769 20 5 CCBDRP COc1cnc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001157097172 801300448 /nfs/dbraw/zinc/30/04/48/801300448.db2.gz TUIIYQUTBDVMLE-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP C[C@@H]([NH3+])CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001159780253 801867830 /nfs/dbraw/zinc/86/78/30/801867830.db2.gz VPZUCJNUCLJXME-SSDOTTSWSA-N 2 0 266.305 0.221 20 5 CCBDRP C[C@H](C[N+](C)(C)C)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891959 803924525 /nfs/dbraw/zinc/92/45/25/803924525.db2.gz MIHWMZVMPTVLAO-SYQHCUMBSA-N 2 0 257.398 0.865 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638109 807341402 /nfs/dbraw/zinc/34/14/02/807341402.db2.gz AURBZLFIEXIHMR-AGIUHOORSA-N 2 0 268.361 0.069 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH3+] ZINC001254532829 808255926 /nfs/dbraw/zinc/25/59/26/808255926.db2.gz QRCVDVAPWFCSFK-KOLCDFICSA-N 2 0 253.302 0.435 20 5 CCBDRP [NH3+]CCOCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584029 808264374 /nfs/dbraw/zinc/26/43/74/808264374.db2.gz PQACJNAKHHLEMD-LBPRGKRZSA-N 2 0 265.313 0.627 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586062 808264911 /nfs/dbraw/zinc/26/49/11/808264911.db2.gz ZMSRMIIHOKUAPP-LBPRGKRZSA-N 2 0 291.355 0.915 20 5 CCBDRP COc1ncc([N+](=O)[O-])cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879237 812386378 /nfs/dbraw/zinc/38/63/78/812386378.db2.gz UVPYQXYXXBJANI-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP Cc1cc(C[NH3+])nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156045050 822300677 /nfs/dbraw/zinc/30/06/77/822300677.db2.gz VVIKMYXIXAXFDJ-UHFFFAOYSA-N 2 0 289.299 0.024 20 5 CCBDRP CN1CCC(CO)([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009358 836098194 /nfs/dbraw/zinc/09/81/94/836098194.db2.gz VUNMTUQTBDDUBI-RYUDHWBXSA-N 2 0 271.361 0.478 20 5 CCBDRP COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897746 839542881 /nfs/dbraw/zinc/54/28/81/839542881.db2.gz JTIIKFNOBDBEII-VIFPVBQESA-N 2 0 283.288 0.212 20 5 CCBDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214279 842021682 /nfs/dbraw/zinc/02/16/82/842021682.db2.gz AJEVYIJDXCHKQU-CMPLNLGQSA-N 2 0 295.339 0.863 20 5 CCBDRP [NH3+]CC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057332 389872306 /nfs/dbraw/zinc/87/23/06/389872306.db2.gz GHYOSAUEBFEYAJ-NSHDSACASA-N 2 0 267.333 0.852 20 5 CCBDRP [NH3+]CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430634657 389814566 /nfs/dbraw/zinc/81/45/66/389814566.db2.gz DVPIERNLIDQYPB-UHFFFAOYSA-N 2 0 253.306 0.462 20 5 CCBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786793 389863217 /nfs/dbraw/zinc/86/32/17/389863217.db2.gz ZYMJDEUVGNLPKY-UWVGGRQHSA-N 2 0 253.306 0.460 20 5 CCBDRP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819211286 615906732 /nfs/dbraw/zinc/90/67/32/615906732.db2.gz YVOINOQERUWTLK-AWEZNQCLSA-N 2 0 297.355 0.796 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159786415 801870611 /nfs/dbraw/zinc/87/06/11/801870611.db2.gz ADMVZXYMTDURRL-QMMMGPOBSA-N 2 0 275.696 0.317 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159786988 801871630 /nfs/dbraw/zinc/87/16/30/801871630.db2.gz PAMXXMNPMRJEQZ-SECBINFHSA-N 2 0 264.289 0.907 20 5 CCBDRP [NH3+][C@@H]1CCC[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001162396514 802332788 /nfs/dbraw/zinc/33/27/88/802332788.db2.gz KOAYLYHVFMZLMZ-NXEZZACHSA-N 2 0 292.343 0.753 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)OCC[NH+]1CCCCC1 ZINC001206709909 802866964 /nfs/dbraw/zinc/86/69/64/802866964.db2.gz STHMMCRLRAPHNM-CYBMUJFWSA-N 2 0 273.397 0.473 20 5 CCBDRP CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCC[N+](C)(C)C)C[C@H]1[N@@H+]2C ZINC001224773122 805075244 /nfs/dbraw/zinc/07/52/44/805075244.db2.gz DXYJRYHRRJOTEL-BYNSBNAKSA-N 2 0 285.408 0.876 20 5 CCBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246558506 807287605 /nfs/dbraw/zinc/28/76/05/807287605.db2.gz LODRUYGETQGNFZ-FRRDWIJNSA-N 2 0 271.361 0.608 20 5 CCBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])CC[NH3+] ZINC001246832000 807398572 /nfs/dbraw/zinc/39/85/72/807398572.db2.gz PNRWPEFHERZIEI-NSHDSACASA-N 2 0 266.345 0.745 20 5 CCBDRP Cn1ccnc1C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC001262235615 809254744 /nfs/dbraw/zinc/25/47/44/809254744.db2.gz JAPCBGXTSYTUFM-NSHDSACASA-N 2 0 252.318 0.951 20 5 CCBDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC001262565325 809345729 /nfs/dbraw/zinc/34/57/29/809345729.db2.gz IXAMAVGRFINBLL-UHFFFAOYSA-N 2 0 294.355 0.344 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ncccc1[N+](=O)[O-] ZINC001167877751 812378911 /nfs/dbraw/zinc/37/89/11/812378911.db2.gz DCHOWPVFIIIERN-UHFFFAOYSA-N 2 0 252.278 0.665 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001168978177 836076378 /nfs/dbraw/zinc/07/63/78/836076378.db2.gz PJYWNHOGEVUBQG-UONOGXRCSA-N 2 0 285.388 0.726 20 5 CCBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000603429663 363128804 /nfs/dbraw/zinc/12/88/04/363128804.db2.gz OKGGYXRLRGWFJT-SECBINFHSA-N 2 0 267.333 0.888 20 5 CCBDRP [NH3+]C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000581667339 359126420 /nfs/dbraw/zinc/12/64/20/359126420.db2.gz GEUIAKQREGFVTR-SNVBAGLBSA-N 2 0 253.306 0.462 20 5 CCBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414859495 389640152 /nfs/dbraw/zinc/64/01/52/389640152.db2.gz AYNRWDUMYROKEM-UHFFFAOYSA-N 2 0 278.356 0.898 20 5 CCBDRP C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000181443609 389686190 /nfs/dbraw/zinc/68/61/90/389686190.db2.gz LXWFEASULJXOOZ-WDEREUQCSA-N 2 0 267.333 0.864 20 5 CCBDRP [NH3+]CC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000443057331 389872358 /nfs/dbraw/zinc/87/23/58/389872358.db2.gz GHYOSAUEBFEYAJ-LLVKDONJSA-N 2 0 267.333 0.852 20 5 CCBDRP C[C@@H]([NH3+])C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430924398 389834681 /nfs/dbraw/zinc/83/46/81/389834681.db2.gz HXZTZCUYPRYGOA-SNVBAGLBSA-N 2 0 267.333 0.851 20 5 CCBDRP CN(CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842478726 616084565 /nfs/dbraw/zinc/08/45/65/616084565.db2.gz JMADEVBNCPOGOJ-UHFFFAOYSA-N 2 0 284.291 0.953 20 5 CCBDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905428869 616247214 /nfs/dbraw/zinc/24/72/14/616247214.db2.gz XQILXSYHSWEWIR-UHFFFAOYSA-N 2 0 278.356 0.805 20 5 CCBDRP [NH3+]CC[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000923483436 640161924 /nfs/dbraw/zinc/16/19/24/640161924.db2.gz OOXQGIFOZJSTPV-SNVBAGLBSA-N 2 0 253.306 0.462 20 5 CCBDRP [NH3+][C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001154989627 800886116 /nfs/dbraw/zinc/88/61/16/800886116.db2.gz RMGRQNLMDFLZCL-VHSXEESVSA-N 2 0 292.343 0.753 20 5 CCBDRP N=C(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)SCC[NH3+] ZINC001157137025 801310741 /nfs/dbraw/zinc/31/07/41/801310741.db2.gz TYHMWXULTVKXQY-UHFFFAOYSA-N 2 0 297.344 0.110 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159787198 801871910 /nfs/dbraw/zinc/87/19/10/801871910.db2.gz TWIWNXOGYMALAO-VIFPVBQESA-N 2 0 264.289 0.907 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)OCC[NH+]1CCCC1 ZINC001206301914 803226713 /nfs/dbraw/zinc/22/67/13/803226713.db2.gz BPGSIKKVSOMUNU-GFCCVEGCSA-N 2 0 259.370 0.083 20 5 CCBDRP C[NH+](C)CCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224992520 805097256 /nfs/dbraw/zinc/09/72/56/805097256.db2.gz NVWDCSUDQWNNOQ-GFCCVEGCSA-N 2 0 261.386 0.329 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246143470 807166422 /nfs/dbraw/zinc/16/64/22/807166422.db2.gz KMNCLWQSNFPVNL-MGPQQGTHSA-N 2 0 296.415 0.896 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586061 808264399 /nfs/dbraw/zinc/26/43/99/808264399.db2.gz ZMSRMIIHOKUAPP-GFCCVEGCSA-N 2 0 291.355 0.915 20 5 CCBDRP O=[N+]([O-])c1cnc(N2CCC[C@H]3[NH2+]C[C@H]32)nc1C1C[NH2+]C1 ZINC001165392166 821057339 /nfs/dbraw/zinc/05/73/39/821057339.db2.gz BRJBCUIDEVWGDZ-NXEZZACHSA-N 2 0 290.327 0.012 20 5 CCBDRP C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155923362 822279809 /nfs/dbraw/zinc/27/98/09/822279809.db2.gz FSVGCQSNDIALEA-QMMMGPOBSA-N 2 0 280.332 0.434 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001168978175 836076939 /nfs/dbraw/zinc/07/69/39/836076939.db2.gz PJYWNHOGEVUBQG-KBPBESRZSA-N 2 0 285.388 0.726 20 5 CCBDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168978085 836077202 /nfs/dbraw/zinc/07/72/02/836077202.db2.gz OGBQNRDLXMWYJM-UONOGXRCSA-N 2 0 284.404 0.659 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159780070 839573115 /nfs/dbraw/zinc/57/31/15/839573115.db2.gz PASDMNQZSUYBOW-LLVKDONJSA-N 2 0 276.300 0.974 20 5 CCBDRP CCOc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159786791 839581412 /nfs/dbraw/zinc/58/14/12/839581412.db2.gz KGBIELZDWAPQFK-VIFPVBQESA-N 2 0 269.305 0.824 20 5 CCBDRP O=[N+]([O-])c1cc(C[NH2+]CCN2CC[NH2+]CC2)cs1 ZINC000414861116 389640230 /nfs/dbraw/zinc/64/02/30/389640230.db2.gz FANUDWFISPCMNV-UHFFFAOYSA-N 2 0 270.358 0.651 20 5 CCBDRP CC1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[NH2+]CC1 ZINC001157406072 801373165 /nfs/dbraw/zinc/37/31/65/801373165.db2.gz XVGHJDOPTZOLCQ-UHFFFAOYSA-N 2 0 292.343 0.626 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246218176 807190280 /nfs/dbraw/zinc/19/02/80/807190280.db2.gz NULDJRAIKQQTNT-NEPJUHHUSA-N 2 0 282.388 0.458 20 5 CCBDRP [NH3+]CCCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168984692 836079713 /nfs/dbraw/zinc/07/97/13/836079713.db2.gz QAHIGEJFZRVGDG-QWHCGFSZSA-N 2 0 270.377 0.398 20 5 CCBDRP COc1cnc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170897646 839542071 /nfs/dbraw/zinc/54/20/71/839542071.db2.gz PDFXLCWPABYLBG-SECBINFHSA-N 2 0 255.278 0.434 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170901099 839552345 /nfs/dbraw/zinc/55/23/45/839552345.db2.gz WEIFMAHBGFHGMG-SECBINFHSA-N 2 0 264.289 0.907 20 5 CCBDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000424289570 235193863 /nfs/dbraw/zinc/19/38/63/235193863.db2.gz LZKTXCJWLAKFIO-GHMZBOCLSA-N 2 0 253.306 0.651 20 5 CCBDRP [NH3+]CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430636187 389814769 /nfs/dbraw/zinc/81/47/69/389814769.db2.gz IOBSILGNSHKTGA-UHFFFAOYSA-N 2 0 253.306 0.462 20 5 CCBDRP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C[NH3+] ZINC000923499383 640169383 /nfs/dbraw/zinc/16/93/83/640169383.db2.gz KDACMRKIAGRTAW-WDEREUQCSA-N 2 0 267.333 0.708 20 5 CCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246412386 807247717 /nfs/dbraw/zinc/24/77/17/807247717.db2.gz CJJDGNIZNZPALE-AXFHLTTASA-N 2 0 272.349 0.004 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH3+] ZINC001254532830 808255584 /nfs/dbraw/zinc/25/55/84/808255584.db2.gz QRCVDVAPWFCSFK-MWLCHTKSSA-N 2 0 253.302 0.435 20 5 CCBDRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167879739 812390642 /nfs/dbraw/zinc/39/06/42/812390642.db2.gz ZZKIAPWPGLKRPO-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168959553 836082610 /nfs/dbraw/zinc/08/26/10/836082610.db2.gz WMHXSOKPWJZAHC-ZIAGYGMSSA-N 2 0 284.404 0.659 20 5 CCBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168959552 836083405 /nfs/dbraw/zinc/08/34/05/836083405.db2.gz WMHXSOKPWJZAHC-UONOGXRCSA-N 2 0 284.404 0.659 20 5 CCBDRP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H](C)[NH2+]1 ZINC001158184502 837965601 /nfs/dbraw/zinc/96/56/01/837965601.db2.gz FOZQEVUBBPZYIN-DTORHVGOSA-N 2 0 292.343 0.258 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170900860 839549320 /nfs/dbraw/zinc/54/93/20/839549320.db2.gz QUDFTDOHUJLVRQ-VIFPVBQESA-N 2 0 265.277 0.073 20 5 CCBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352526547 389825833 /nfs/dbraw/zinc/82/58/33/389825833.db2.gz OVBFUYCBPGSGML-NSHDSACASA-N 2 0 267.333 0.995 20 5 CCBDRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819211287 615906707 /nfs/dbraw/zinc/90/67/07/615906707.db2.gz YVOINOQERUWTLK-CQSZACIVSA-N 2 0 297.355 0.796 20 5 CCBDRP C[NH+](C)C[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062470 615926328 /nfs/dbraw/zinc/92/63/28/615926328.db2.gz OFUZLDWSIPERTG-QWHCGFSZSA-N 2 0 283.328 0.140 20 5 CCBDRP N=c1cc(CN)ncn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167359254 790967378 /nfs/dbraw/zinc/96/73/78/790967378.db2.gz NVFCIOMIMHRYAE-UHFFFAOYSA-N 2 0 286.295 0.322 20 5 CCBDRP CN(C)/C=C/c1cc(N[C@@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786762 801871009 /nfs/dbraw/zinc/87/10/09/801871009.db2.gz JPKFWCWQFCFNBD-HOSRBBHYSA-N 2 0 294.359 0.958 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607733 807322056 /nfs/dbraw/zinc/32/20/56/807322056.db2.gz XIHQZENEZHTQOY-STQMWFEESA-N 2 0 282.388 0.459 20 5 CCBDRP CC[N+](C)(C)Cc1ccccc1-n1nnc(CC[NH3+])n1 ZINC001167790862 812073954 /nfs/dbraw/zinc/07/39/54/812073954.db2.gz OAJLTWAGLTXERK-UHFFFAOYSA-N 2 0 275.380 0.760 20 5 CCBDRP COc1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879652 812389680 /nfs/dbraw/zinc/38/96/80/812389680.db2.gz MRRUYAJVMHQIQZ-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038637 836112407 /nfs/dbraw/zinc/11/24/07/836112407.db2.gz JQEUSDNZRMMQPW-KBPBESRZSA-N 2 0 284.404 0.611 20 5 CCBDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133295001 838592081 /nfs/dbraw/zinc/59/20/81/838592081.db2.gz ZJTUOAGKXKFQPX-UHFFFAOYSA-N 2 0 294.355 0.752 20 5 CCBDRP COc1nc(C)c(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170901278 839539346 /nfs/dbraw/zinc/53/93/46/839539346.db2.gz YDYRMXANICUWBI-SNVBAGLBSA-N 2 0 269.305 0.742 20 5 CCBDRP COc1cc([N+](=O)[O-])cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170894508 839551582 /nfs/dbraw/zinc/55/15/82/839551582.db2.gz JDOWQZJYMKTBTB-SECBINFHSA-N 2 0 255.278 0.434 20 5 CCBDRP O=[N+]([O-])c1c(NC[C@@H]2CCCC[NH2+]2)ncnc1C1C[NH2+]C1 ZINC001171330471 840792877 /nfs/dbraw/zinc/79/28/77/840792877.db2.gz SJIGMTXMLMVNEI-JTQLQIEISA-N 2 0 292.343 0.626 20 5 CCBDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214294 842023528 /nfs/dbraw/zinc/02/35/28/842023528.db2.gz AJEVYIJDXCHKQU-ZYHUDNBSSA-N 2 0 295.339 0.863 20 5 CCBDRP [NH3+]CC1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420410086 389998344 /nfs/dbraw/zinc/99/83/44/389998344.db2.gz ZSDOMMSTUVTJTH-UHFFFAOYSA-N 2 0 295.339 0.759 20 5 CCBDRP O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278853 582066641 /nfs/dbraw/zinc/06/66/41/582066641.db2.gz WIUJBLKKJJCBOW-SCRDCRAPSA-N 2 0 277.324 0.779 20 5 CCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923334386 616133179 /nfs/dbraw/zinc/13/31/79/616133179.db2.gz HLIAXWRJBSIRME-WCQYABFASA-N 2 0 297.359 0.226 20 5 CCBDRP C[N@@H+]1CC[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001167275229 790769555 /nfs/dbraw/zinc/76/95/55/790769555.db2.gz JVBVDYDVQDDQTJ-VIFPVBQESA-N 2 0 278.316 0.188 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246081946 807147061 /nfs/dbraw/zinc/14/70/61/807147061.db2.gz KGLFCBBBAOOXQW-WHOHXGKFSA-N 2 0 275.324 0.084 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607732 807322151 /nfs/dbraw/zinc/32/21/51/807322151.db2.gz XIHQZENEZHTQOY-QWHCGFSZSA-N 2 0 282.388 0.459 20 5 CCBDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573831 808261151 /nfs/dbraw/zinc/26/11/51/808261151.db2.gz CPBGJMYCRFCZRO-RYUDHWBXSA-N 2 0 293.323 0.400 20 5 CCBDRP CC[C@]([NH3+])(CO)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170864305 839458366 /nfs/dbraw/zinc/45/83/66/839458366.db2.gz SSYUDLAZKXBMTM-GFCCVEGCSA-N 2 0 266.301 0.667 20 5 CCBDRP COc1ccc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170894087 839538573 /nfs/dbraw/zinc/53/85/73/839538573.db2.gz GURRSQVGVJDWFZ-QMMMGPOBSA-N 2 0 255.278 0.434 20 5 CCBDRP Cc1c(F)cnc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899809 839547710 /nfs/dbraw/zinc/54/77/10/839547710.db2.gz XQOZHJFEHOKACK-MRVPVSSYSA-N 2 0 257.269 0.873 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159786364 839578153 /nfs/dbraw/zinc/57/81/53/839578153.db2.gz YRZRJTOKRYVEBU-MRVPVSSYSA-N 2 0 270.249 0.334 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159786365 839578777 /nfs/dbraw/zinc/57/87/77/839578777.db2.gz YRZRJTOKRYVEBU-QMMMGPOBSA-N 2 0 270.249 0.334 20 5 CCBDRP COC(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001159786351 839579207 /nfs/dbraw/zinc/57/92/07/839579207.db2.gz YKOSRQQIXWYLDL-VIFPVBQESA-N 2 0 283.288 0.212 20 5 CCBDRP O=[N+]([O-])CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001120502621 857095920 /nfs/dbraw/zinc/09/59/20/857095920.db2.gz CNIRCZVFJIUXBQ-AWEZNQCLSA-N 2 0 279.340 0.620 20 5 CCBDRP O=[N+]([O-])c1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414776583 389637019 /nfs/dbraw/zinc/63/70/19/389637019.db2.gz FSYVDKFESQSACE-UHFFFAOYSA-N 2 0 278.356 0.980 20 5 CCBDRP O=[N+]([O-])c1ccccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414782943 389637788 /nfs/dbraw/zinc/63/77/88/389637788.db2.gz PVXULMQQEUUDJX-UHFFFAOYSA-N 2 0 278.356 0.980 20 5 CCBDRP C[C@H]([NH3+])c1ccn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001158355863 801625831 /nfs/dbraw/zinc/62/58/31/801625831.db2.gz FRPDHCCRKPKUEP-ZETCQYMHSA-N 2 0 289.299 0.277 20 5 CCBDRP CC[NH+](CC)CCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224928000 805092326 /nfs/dbraw/zinc/09/23/26/805092326.db2.gz ODKWBFZNUONGSR-GFCCVEGCSA-N 2 0 261.386 0.329 20 5 CCBDRP [NH3+]CCCNCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246458090 807254964 /nfs/dbraw/zinc/25/49/64/807254964.db2.gz SKAFDIHKDQAQAW-CQSZACIVSA-N 2 0 292.383 0.980 20 5 CCBDRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430614 363129680 /nfs/dbraw/zinc/12/96/80/363129680.db2.gz UAXTZXGAASDRNC-DTWKUNHWSA-N 2 0 253.306 0.497 20 5 CCBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000593730774 360142810 /nfs/dbraw/zinc/14/28/10/360142810.db2.gz FVHOOPSILFPQIV-AAEUAGOBSA-N 2 0 279.344 0.852 20 5 CCBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786800 389862996 /nfs/dbraw/zinc/86/29/96/389862996.db2.gz ZYMJDEUVGNLPKY-VHSXEESVSA-N 2 0 253.306 0.460 20 5 CCBDRP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566620834 390634105 /nfs/dbraw/zinc/63/41/05/390634105.db2.gz ZEMWWJJBOCDDJD-PHIMTYICSA-N 2 0 279.344 0.760 20 5 CCBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2)CC1 ZINC000905107756 616172592 /nfs/dbraw/zinc/17/25/92/616172592.db2.gz AQXNZEAYSHUQNT-NSHDSACASA-N 2 0 256.350 0.021 20 5 CCBDRP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903499450 634582028 /nfs/dbraw/zinc/58/20/28/634582028.db2.gz VUWFPFCVGUBOOD-NXEZZACHSA-N 2 0 267.333 0.745 20 5 CCBDRP COc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157094559 801299023 /nfs/dbraw/zinc/29/90/23/801299023.db2.gz TYSOUKUAXKOYEN-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP Nc1cc(NCCC[NH2+]CCCC[NH3+])ncc1[N+](=O)[O-] ZINC001162292940 802302757 /nfs/dbraw/zinc/30/27/57/802302757.db2.gz SZDDPCQXDXHGOP-UHFFFAOYSA-N 2 0 282.348 0.703 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1N[C@H]1C[NH2+]C[C@H]1CO)C[NH2+]C2 ZINC001170776783 839099258 /nfs/dbraw/zinc/09/92/58/839099258.db2.gz BOEVEXUREDEWTI-JQWIXIFHSA-N 2 0 278.312 0.190 20 5 CCBDRP [NH3+][C@H]1C[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234233 291364538 /nfs/dbraw/zinc/36/45/38/291364538.db2.gz SHLZIZMBKRWJTO-OLZOCXBDSA-N 2 0 290.323 0.339 20 5 CCBDRP O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461845 640150317 /nfs/dbraw/zinc/15/03/17/640150317.db2.gz XOKNZRXJWVTKRB-UHFFFAOYSA-N 2 0 282.319 0.729 20 5 CCBDRP COc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001157915126 801519034 /nfs/dbraw/zinc/51/90/34/801519034.db2.gz QOGXWAOHWKVVEP-UHFFFAOYSA-N 2 0 294.315 0.592 20 5 CCBDRP CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786701 801871640 /nfs/dbraw/zinc/87/16/40/801871640.db2.gz HQTWBNLRUSNPGV-SNVBAGLBSA-N 2 0 297.315 0.602 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612653 807324955 /nfs/dbraw/zinc/32/49/55/807324955.db2.gz BUDLLLQITIONPQ-CRWXNKLISA-N 2 0 282.388 0.458 20 5 CCBDRP N=C(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])SCC[NH3+] ZINC001167913336 811342160 /nfs/dbraw/zinc/34/21/60/811342160.db2.gz KVNBDTUGSRDHDQ-UHFFFAOYSA-N 2 0 297.344 0.110 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006198 836095562 /nfs/dbraw/zinc/09/55/62/836095562.db2.gz WNFRJZINKWGTMR-RYUDHWBXSA-N 2 0 285.392 0.888 20 5 CCBDRP Cn1ccnc1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009804 836097856 /nfs/dbraw/zinc/09/78/56/836097856.db2.gz YGJBLRDKTYVLFH-MNOVXSKESA-N 2 0 252.318 0.998 20 5 CCBDRP COC(=O)c1cc(C)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170897017 839542456 /nfs/dbraw/zinc/54/24/56/839542456.db2.gz JXVNHMKQJMIZCA-VIFPVBQESA-N 2 0 297.315 0.520 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001173210073 842023045 /nfs/dbraw/zinc/02/30/45/842023045.db2.gz HPJDVMQHMQHBEW-SKDRFNHKSA-N 2 0 253.302 0.435 20 5 CCBDRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246400789 807241601 /nfs/dbraw/zinc/24/16/01/807241601.db2.gz HXTCCKMPLHSQBY-AXFHLTTASA-N 2 0 273.333 0.302 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167878053 812377246 /nfs/dbraw/zinc/37/72/46/812377246.db2.gz OBUXNQMINSTVMG-UHFFFAOYSA-N 2 0 292.303 0.541 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006491 836094980 /nfs/dbraw/zinc/09/49/80/836094980.db2.gz YCUIQHLWSHTTKQ-RYUDHWBXSA-N 2 0 259.350 0.336 20 5 CCBDRP C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005309 836095853 /nfs/dbraw/zinc/09/58/53/836095853.db2.gz AHUONQHUPREOHC-ZIAGYGMSSA-N 2 0 284.404 0.611 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001159780071 839573423 /nfs/dbraw/zinc/57/34/23/839573423.db2.gz PASDMNQZSUYBOW-NSHDSACASA-N 2 0 276.300 0.974 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159789602 839580559 /nfs/dbraw/zinc/58/05/59/839580559.db2.gz VYWGPAHYRDRJQP-VIFPVBQESA-N 2 0 283.288 0.212 20 5 CCBDRP C[N@H+](CCOCC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000600735629 362050657 /nfs/dbraw/zinc/05/06/57/362050657.db2.gz MSFANHACUZJQFJ-UHFFFAOYSA-N 2 0 283.328 0.881 20 5 CCBDRP C[C@]12C[NH2+]C[C@@]1(C)CN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000600746413 362053360 /nfs/dbraw/zinc/05/33/60/362053360.db2.gz SSNHLSSERVNFQF-BETUJISGSA-N 2 0 279.344 0.723 20 5 CCBDRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603431429 363129359 /nfs/dbraw/zinc/12/93/59/363129359.db2.gz XAEONYAQAQYWQD-UHFFFAOYSA-N 2 0 253.306 0.499 20 5 CCBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000351491846 389592454 /nfs/dbraw/zinc/59/24/54/389592454.db2.gz KFLLBMWQPBTBGY-MVWJERBFSA-N 2 0 265.317 0.460 20 5 CCBDRP COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923461273 617282495 /nfs/dbraw/zinc/28/24/95/617282495.db2.gz VBFNARKJBMNHTA-UHFFFAOYSA-N 2 0 294.355 0.598 20 5 CCBDRP C[NH2+]CCOCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923403904 616964812 /nfs/dbraw/zinc/96/48/12/616964812.db2.gz VNRKUHVOHWFKFG-AWEZNQCLSA-N 2 0 297.355 0.796 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1CC[NH3+] ZINC000903497266 634590581 /nfs/dbraw/zinc/59/05/81/634590581.db2.gz SEEDTFAAPSZBPU-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP [NH3+]CC[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923488531 640163742 /nfs/dbraw/zinc/16/37/42/640163742.db2.gz BVXNYOFVUAEWQD-JTQLQIEISA-N 2 0 253.306 0.462 20 5 CCBDRP C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982832 641287090 /nfs/dbraw/zinc/28/70/90/641287090.db2.gz IFAIMGAOXNWPLF-ONGXEEELSA-N 2 0 280.328 0.816 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159780120 801867885 /nfs/dbraw/zinc/86/78/85/801867885.db2.gz QQJABGUFWKGYID-NSHDSACASA-N 2 0 276.300 0.974 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159785267 801869647 /nfs/dbraw/zinc/86/96/47/801869647.db2.gz NGHCJHJJCJCXJH-SSDOTTSWSA-N 2 0 275.696 0.317 20 5 CCBDRP C[C@H](C[N+](C)(C)C)Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218356658 803950593 /nfs/dbraw/zinc/95/05/93/803950593.db2.gz RBMNGANYJUREOY-RISCZKNCSA-O 2 0 280.392 0.515 20 5 CCBDRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001246585327 807305285 /nfs/dbraw/zinc/30/52/85/807305285.db2.gz NLHKUJGYHSMSSS-IACUBPJLSA-N 2 0 277.324 0.313 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006492 836096110 /nfs/dbraw/zinc/09/61/10/836096110.db2.gz YCUIQHLWSHTTKQ-VXGBXAGGSA-N 2 0 259.350 0.336 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000601327183 362223124 /nfs/dbraw/zinc/22/31/24/362223124.db2.gz SDJBKXPOOJFSLI-NXEZZACHSA-N 2 0 253.306 0.318 20 5 CCBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH3+] ZINC000420358879 389991312 /nfs/dbraw/zinc/99/13/12/389991312.db2.gz VCHCSRAPXGYLLZ-LBPRGKRZSA-N 2 0 296.327 0.175 20 5 CCBDRP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000420412115 389998362 /nfs/dbraw/zinc/99/83/62/389998362.db2.gz SDBDDKFGFACJNN-GHMZBOCLSA-N 2 0 267.333 0.708 20 5 CCBDRP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923403905 616964770 /nfs/dbraw/zinc/96/47/70/616964770.db2.gz VNRKUHVOHWFKFG-CQSZACIVSA-N 2 0 297.355 0.796 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159786989 801871665 /nfs/dbraw/zinc/87/16/65/801871665.db2.gz PAMXXMNPMRJEQZ-VIFPVBQESA-N 2 0 264.289 0.907 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891952 803924341 /nfs/dbraw/zinc/92/43/41/803924341.db2.gz MIHWMZVMPTVLAO-FQUUOJAGSA-N 2 0 257.398 0.865 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)OCCC[NH+]1CCCCC1 ZINC001224855707 805086554 /nfs/dbraw/zinc/08/65/54/805086554.db2.gz RTFYLWKEBXJCSP-CQSZACIVSA-N 2 0 287.424 0.863 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246612657 807324749 /nfs/dbraw/zinc/32/47/49/807324749.db2.gz BUDLLLQITIONPQ-MQYQWHSLSA-N 2 0 282.388 0.458 20 5 CCBDRP C[NH+]1CCN(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168964471 836087936 /nfs/dbraw/zinc/08/79/36/836087936.db2.gz TVQLNQCDKNTQRX-QWHCGFSZSA-N 2 0 270.377 0.269 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1N[C@H]1C[NH2+]C[C@@H]1CO)C[NH2+]C2 ZINC001170776788 839099311 /nfs/dbraw/zinc/09/93/11/839099311.db2.gz BOEVEXUREDEWTI-PWSUYJOCSA-N 2 0 278.312 0.190 20 5 CCBDRP COc1nc(C)c(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170901277 839540097 /nfs/dbraw/zinc/54/00/97/839540097.db2.gz YDYRMXANICUWBI-JTQLQIEISA-N 2 0 269.305 0.742 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001170894929 839552236 /nfs/dbraw/zinc/55/22/36/839552236.db2.gz PEPKTRJRHQKLPZ-RXMQYKEDSA-N 2 0 260.685 0.474 20 5 CCBDRP COc1cc(N[C@H]([NH3+])CCC[NH3+])cnc1[N+](=O)[O-] ZINC001170901122 839552442 /nfs/dbraw/zinc/55/24/42/839552442.db2.gz WWNWVOMJIAUKEA-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000071150695 348904407 /nfs/dbraw/zinc/90/44/07/348904407.db2.gz RYEGYGUUYVLMGI-UHFFFAOYSA-N 2 0 292.383 0.974 20 5 CCBDRP C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427148 363127143 /nfs/dbraw/zinc/12/71/43/363127143.db2.gz BUESIVMCQZRMTQ-SCZZXKLOSA-N 2 0 253.306 0.497 20 5 CCBDRP C[NH+](C)CCNc1ccc([N+](=O)[O-])c(NCC[NH+](C)C)n1 ZINC000192263099 389030730 /nfs/dbraw/zinc/03/07/30/389030730.db2.gz FEVWDKDFBCEHEZ-UHFFFAOYSA-N 2 0 296.375 0.937 20 5 CCBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000351498884 389595649 /nfs/dbraw/zinc/59/56/49/389595649.db2.gz WLKFSQQQMOHJNT-HBNTYKKESA-N 2 0 265.317 0.460 20 5 CCBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573961 389809475 /nfs/dbraw/zinc/80/94/75/389809475.db2.gz NIYQPBYHVADECB-WDEREUQCSA-N 2 0 267.333 0.851 20 5 CCBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C[NH3+] ZINC000430590951 389810840 /nfs/dbraw/zinc/81/08/40/389810840.db2.gz MJROTVIRVDYXRO-UHFFFAOYSA-N 2 0 255.322 0.708 20 5 CCBDRP C[C@H]([NH3+])C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430924397 389835060 /nfs/dbraw/zinc/83/50/60/389835060.db2.gz HXZTZCUYPRYGOA-JTQLQIEISA-N 2 0 267.333 0.851 20 5 CCBDRP C[NH+](C)C[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843062471 615926551 /nfs/dbraw/zinc/92/65/51/615926551.db2.gz OFUZLDWSIPERTG-STQMWFEESA-N 2 0 283.328 0.140 20 5 CCBDRP O=[N+]([O-])CC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000899860770 633907450 /nfs/dbraw/zinc/90/74/50/633907450.db2.gz TXVBSHAQVGXAKB-UHFFFAOYSA-N 2 0 292.383 0.671 20 5 CCBDRP CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CC[NH2+]CC1 ZINC001156180971 801123873 /nfs/dbraw/zinc/12/38/73/801123873.db2.gz KZNOBJRSJJLFFC-UHFFFAOYSA-N 2 0 292.343 0.260 20 5 CCBDRP CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)(C)C[NH3+] ZINC001159060086 801753780 /nfs/dbraw/zinc/75/37/80/801753780.db2.gz KVFKHSUCSNARMS-UHFFFAOYSA-N 2 0 280.332 0.245 20 5 CCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246412394 807246937 /nfs/dbraw/zinc/24/69/37/807246937.db2.gz CJJDGNIZNZPALE-VWYCJHECSA-N 2 0 272.349 0.004 20 5 CCBDRP CNc1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880412 812396192 /nfs/dbraw/zinc/39/61/92/812396192.db2.gz LXXYAKMBNZKLIG-UHFFFAOYSA-N 2 0 281.320 0.707 20 5 CCBDRP C[NH+]1CCN(C(=[NH2+])Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC001168736656 818550285 /nfs/dbraw/zinc/55/02/85/818550285.db2.gz JSFYQAHMIGZPAT-UHFFFAOYSA-N 2 0 298.734 0.659 20 5 CCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005367 836095348 /nfs/dbraw/zinc/09/53/48/836095348.db2.gz BIEQOTPKXOBPSH-TUAOUCFPSA-N 2 0 286.376 0.265 20 5 CCBDRP COC(=O)Cc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900978 839550303 /nfs/dbraw/zinc/55/03/03/839550303.db2.gz SKBKRUOXHIEZPA-LBPRGKRZSA-N 2 0 296.327 0.746 20 5 CCBDRP C[N@@H+]1CC[C@](O)(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457337 920206931 /nfs/dbraw/zinc/20/69/31/920206931.db2.gz LFKYRXIAQKJOCV-KBPBESRZSA-N 2 0 295.339 0.284 20 5 CCBDRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000603429664 363128815 /nfs/dbraw/zinc/12/88/15/363128815.db2.gz OKGGYXRLRGWFJT-VIFPVBQESA-N 2 0 267.333 0.888 20 5 CCBDRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000603430783 363129203 /nfs/dbraw/zinc/12/92/03/363129203.db2.gz UXJPQBOFYZKPMC-UHFFFAOYSA-N 2 0 267.333 0.760 20 5 CCBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000351498882 356001918 /nfs/dbraw/zinc/00/19/18/356001918.db2.gz WLKFSQQQMOHJNT-GARJFASQSA-N 2 0 265.317 0.460 20 5 CCBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000423435837 389587830 /nfs/dbraw/zinc/58/78/30/389587830.db2.gz SQNWXKWERSBXSX-MPKXVKKWSA-N 2 0 279.340 0.696 20 5 CCBDRP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000583755701 390309191 /nfs/dbraw/zinc/30/91/91/390309191.db2.gz BJDROGGSXKJMMF-TXEJJXNPSA-N 2 0 279.344 0.723 20 5 CCBDRP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060895 279384622 /nfs/dbraw/zinc/38/46/22/279384622.db2.gz HOSKSVPMVJMTHW-SNVBAGLBSA-N 2 0 267.333 0.889 20 5 CCBDRP O=[N+]([O-])c1cccc(OCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461544 640150125 /nfs/dbraw/zinc/15/01/25/640150125.db2.gz QQZUOPXHPCNIFW-UHFFFAOYSA-N 2 0 294.355 0.468 20 5 CCBDRP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C[NH3+] ZINC000923499380 640169846 /nfs/dbraw/zinc/16/98/46/640169846.db2.gz KDACMRKIAGRTAW-MNOVXSKESA-N 2 0 267.333 0.708 20 5 CCBDRP [NH3+][C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001154989625 800886358 /nfs/dbraw/zinc/88/63/58/800886358.db2.gz RMGRQNLMDFLZCL-NXEZZACHSA-N 2 0 292.343 0.753 20 5 CCBDRP CN(C)/C=C/c1cc(N[C@H]([NH3+])CCC[NH3+])ncc1[N+](=O)[O-] ZINC001159786763 801872023 /nfs/dbraw/zinc/87/20/23/801872023.db2.gz JPKFWCWQFCFNBD-PZBABLGHSA-N 2 0 294.359 0.958 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])cc1N ZINC001163128140 802489023 /nfs/dbraw/zinc/48/90/23/802489023.db2.gz AMNCZFXRNDIPNN-UHFFFAOYSA-N 2 0 295.347 0.850 20 5 CCBDRP C[C@@H](C[N+](C)(C)C)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891950 803923835 /nfs/dbraw/zinc/92/38/35/803923835.db2.gz MIHWMZVMPTVLAO-DGAVXFQQSA-N 2 0 257.398 0.865 20 5 CCBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH3+] ZINC001254532828 808256604 /nfs/dbraw/zinc/25/66/04/808256604.db2.gz QRCVDVAPWFCSFK-GXSJLCMTSA-N 2 0 253.302 0.435 20 5 CCBDRP C[N@H+](CCO)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006490 836094959 /nfs/dbraw/zinc/09/49/59/836094959.db2.gz YCUIQHLWSHTTKQ-NWDGAFQWSA-N 2 0 259.350 0.336 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170897811 839542000 /nfs/dbraw/zinc/54/20/00/839542000.db2.gz KLDJBEIBZGUMHH-SECBINFHSA-N 2 0 275.696 0.317 20 5 CCBDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214293 842022892 /nfs/dbraw/zinc/02/28/92/842022892.db2.gz AJEVYIJDXCHKQU-PWSUYJOCSA-N 2 0 295.339 0.863 20 5 CCBDRP C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000603429018 363128422 /nfs/dbraw/zinc/12/84/22/363128422.db2.gz LAXPENCGVDJHAW-VHSXEESVSA-N 2 0 267.333 0.745 20 5 CCBDRP C[C@H]([NH3+])[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430619 363129546 /nfs/dbraw/zinc/12/95/46/363129546.db2.gz UAXTZXGAASDRNC-IUCAKERBSA-N 2 0 253.306 0.497 20 5 CCBDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000603430734 363130206 /nfs/dbraw/zinc/13/02/06/363130206.db2.gz CGMRFJLSKNDOTQ-IUCAKERBSA-N 2 0 253.306 0.507 20 5 CCBDRP O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[NH2+]CC2)c(F)c1 ZINC000414874824 389642251 /nfs/dbraw/zinc/64/22/51/389642251.db2.gz ZLPTVHPLYWQAII-UHFFFAOYSA-N 2 0 282.319 0.729 20 5 CCBDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000519765311 390539650 /nfs/dbraw/zinc/53/96/50/390539650.db2.gz OIGGGLNKFKQHMR-LLVKDONJSA-N 2 0 292.339 0.677 20 5 CCBDRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000903843288 634666020 /nfs/dbraw/zinc/66/60/20/634666020.db2.gz HMTPFRHDCIBINE-DCAQKATOSA-N 2 0 265.317 0.603 20 5 CCBDRP COc1cc(NC(=[NH2+])NCCCC[NH3+])ncc1[N+](=O)[O-] ZINC001157095977 801299116 /nfs/dbraw/zinc/29/91/16/801299116.db2.gz DBLPENKMISMCDM-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157093909 801299371 /nfs/dbraw/zinc/29/93/71/801299371.db2.gz ISXGZVAXKFPAOP-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP COC(=O)c1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159785327 801870435 /nfs/dbraw/zinc/87/04/35/801870435.db2.gz PBGWWJKHZREHIA-MRVPVSSYSA-N 2 0 283.288 0.212 20 5 CCBDRP O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)nc1C1C[NH2+]C1 ZINC001160154851 801911589 /nfs/dbraw/zinc/91/15/89/801911589.db2.gz PZPBPGZANKUFJV-JTQLQIEISA-N 2 0 292.343 0.626 20 5 CCBDRP Cc1cc(C[NH3+])nn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163981150 802644769 /nfs/dbraw/zinc/64/47/69/802644769.db2.gz FPGNWQFGBNLPJC-UHFFFAOYSA-N 2 0 289.299 0.024 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001167884638 812403008 /nfs/dbraw/zinc/40/30/08/812403008.db2.gz YHSKQDQMWVNSBJ-UHFFFAOYSA-N 2 0 291.315 0.918 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001168978176 836076013 /nfs/dbraw/zinc/07/60/13/836076013.db2.gz PJYWNHOGEVUBQG-KGLIPLIRSA-N 2 0 285.388 0.726 20 5 CCBDRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036523 836110483 /nfs/dbraw/zinc/11/04/83/836110483.db2.gz GIAAVTQZLIVKQL-WUHRBBMRSA-N 2 0 253.346 0.925 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cccc([N+](=O)[O-])n1 ZINC001157093893 836795957 /nfs/dbraw/zinc/79/59/57/836795957.db2.gz HKMGEUZAMIIKBN-UHFFFAOYSA-N 2 0 252.278 0.665 20 5 CCBDRP C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001170568220 838132409 /nfs/dbraw/zinc/13/24/09/838132409.db2.gz FNMJUIOYPYORSU-XPTSAGLGSA-N 2 0 292.339 0.987 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170899024 839544844 /nfs/dbraw/zinc/54/48/44/839544844.db2.gz GWXUTIZLOZJNBX-SNVBAGLBSA-N 2 0 264.289 0.678 20 5 CCBDRP [NH3+]C[C@H](O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896227 841983050 /nfs/dbraw/zinc/98/30/50/841983050.db2.gz NJYZXLJSAPKPQJ-JSGCOSHPSA-N 2 0 279.340 0.751 20 5 CCBDRP C[N@@H+]1CC[C@@](O)(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457343 920206157 /nfs/dbraw/zinc/20/61/57/920206157.db2.gz LFKYRXIAQKJOCV-ZIAGYGMSSA-N 2 0 295.339 0.284 20 5 CCBDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])n1 ZINC000603428578 363127422 /nfs/dbraw/zinc/12/74/22/363127422.db2.gz JNFKJAVHYRYMRQ-PHIMTYICSA-N 2 0 279.344 0.760 20 5 CCBDRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000430584038 389810007 /nfs/dbraw/zinc/81/00/07/389810007.db2.gz NVZLUEYUCHWIDS-LLVKDONJSA-N 2 0 255.322 0.754 20 5 CCBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352519368 389824355 /nfs/dbraw/zinc/82/43/55/389824355.db2.gz OEAOGVUQZZGTTF-LLVKDONJSA-N 2 0 267.333 0.995 20 5 CCBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000435611172 389959140 /nfs/dbraw/zinc/95/91/40/389959140.db2.gz QITHFYQZVQTBOQ-NSHDSACASA-N 2 0 267.333 0.865 20 5 CCBDRP [NH3+]C1(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1 ZINC001163328568 802535104 /nfs/dbraw/zinc/53/51/04/802535104.db2.gz VMJQYTPMPAQWOB-UHFFFAOYSA-N 2 0 278.316 0.365 20 5 CCBDRP CC(C)N(CCC[NH3+])c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164122400 802670943 /nfs/dbraw/zinc/67/09/43/802670943.db2.gz CHIAVWSJTWYSRS-UHFFFAOYSA-N 2 0 294.359 0.635 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc[nH+]c(N)c1 ZINC001226656207 805261827 /nfs/dbraw/zinc/26/18/27/805261827.db2.gz LAYGORFMCLHMAA-SECBINFHSA-N 2 0 254.310 0.026 20 5 CCBDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254573830 808261315 /nfs/dbraw/zinc/26/13/15/808261315.db2.gz CPBGJMYCRFCZRO-NWDGAFQWSA-N 2 0 293.323 0.400 20 5 CCBDRP O=[N+]([O-])c1cnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc1C1C[NH2+]C1 ZINC001165392167 821056771 /nfs/dbraw/zinc/05/67/71/821056771.db2.gz BRJBCUIDEVWGDZ-UWVGGRQHSA-N 2 0 290.327 0.012 20 5 CCBDRP C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155923361 822280038 /nfs/dbraw/zinc/28/00/38/822280038.db2.gz FSVGCQSNDIALEA-MRVPVSSYSA-N 2 0 280.332 0.434 20 5 CCBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006196 836095974 /nfs/dbraw/zinc/09/59/74/836095974.db2.gz WNFRJZINKWGTMR-NWDGAFQWSA-N 2 0 285.392 0.888 20 5 CCBDRP COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170899717 839546647 /nfs/dbraw/zinc/54/66/47/839546647.db2.gz LUHDYPFGOZEWFX-VIFPVBQESA-N 2 0 297.315 0.520 20 5 CCBDRP COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159779270 839573939 /nfs/dbraw/zinc/57/39/39/839573939.db2.gz DGDCQVLVFIKEGM-VIFPVBQESA-N 2 0 283.288 0.212 20 5 CCBDRP CN(CCOCC[NH3+])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733573 362048496 /nfs/dbraw/zinc/04/84/96/362048496.db2.gz KNMQHNYTHYROJL-UHFFFAOYSA-N 2 0 296.327 0.440 20 5 CCBDRP CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH3+] ZINC000420362876 389992223 /nfs/dbraw/zinc/99/22/23/389992223.db2.gz ZORSGBDMHCTMEA-LLVKDONJSA-N 2 0 269.301 0.225 20 5 CCBDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000572868566 390808127 /nfs/dbraw/zinc/80/81/27/390808127.db2.gz KNPWRSPQKXNNET-NSHDSACASA-N 2 0 292.339 0.677 20 5 CCBDRP O=[N+]([O-])c1ccc([C@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000776278848 582066575 /nfs/dbraw/zinc/06/65/75/582066575.db2.gz WIUJBLKKJJCBOW-MBNYWOFBSA-N 2 0 277.324 0.779 20 5 CCBDRP [NH3+]CCOCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584026 808263878 /nfs/dbraw/zinc/26/38/78/808263878.db2.gz PQACJNAKHHLEMD-GFCCVEGCSA-N 2 0 265.313 0.627 20 5 CCBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168959551 836083204 /nfs/dbraw/zinc/08/32/04/836083204.db2.gz WMHXSOKPWJZAHC-KGLIPLIRSA-N 2 0 284.404 0.659 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970871 836089385 /nfs/dbraw/zinc/08/93/85/836089385.db2.gz JCNRZKLXYVRTIM-NXEZZACHSA-N 2 0 257.338 0.285 20 5 CCBDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133294703 838592098 /nfs/dbraw/zinc/59/20/98/838592098.db2.gz PWIPEBIMAMLUSO-UHFFFAOYSA-N 2 0 294.355 0.752 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+]C[C@@H]1CO)C[NH2+]C2 ZINC001170776793 839099757 /nfs/dbraw/zinc/09/97/57/839099757.db2.gz BOEVEXUREDEWTI-ZYHUDNBSSA-N 2 0 278.312 0.190 20 5 CCBDRP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896230 841984172 /nfs/dbraw/zinc/98/41/72/841984172.db2.gz NJYZXLJSAPKPQJ-TZMCWYRMSA-N 2 0 279.340 0.751 20 5 CCBDRP C[N@@H+]1CC[C@](O)(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457339 920206609 /nfs/dbraw/zinc/20/66/09/920206609.db2.gz LFKYRXIAQKJOCV-KGLIPLIRSA-N 2 0 295.339 0.284 20 5 CCBDRP [NH3+]C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000581667338 336125111 /nfs/dbraw/zinc/12/51/11/336125111.db2.gz GEUIAKQREGFVTR-JTQLQIEISA-N 2 0 253.306 0.462 20 5 CCBDRP CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163595152 802575987 /nfs/dbraw/zinc/57/59/87/802575987.db2.gz FPTDYSCWVCBSOU-UHFFFAOYSA-N 2 0 280.332 0.069 20 5 CCBDRP C[N+](C)(C)C[C@H](O)CC(=O)OCCC[NH+]1CCCC1 ZINC001224743817 805073121 /nfs/dbraw/zinc/07/31/21/805073121.db2.gz GOEBPHPGJUVSSG-CYBMUJFWSA-N 2 0 273.397 0.473 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246218178 807190126 /nfs/dbraw/zinc/19/01/26/807190126.db2.gz NULDJRAIKQQTNT-RYUDHWBXSA-N 2 0 282.388 0.458 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246218179 807190573 /nfs/dbraw/zinc/19/05/73/807190573.db2.gz NULDJRAIKQQTNT-VXGBXAGGSA-N 2 0 282.388 0.458 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246478174 807260583 /nfs/dbraw/zinc/26/05/83/807260583.db2.gz UJXZXOQVOBLBMX-RHYQMDGZSA-N 2 0 259.325 0.969 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC001168978178 836076084 /nfs/dbraw/zinc/07/60/84/836076084.db2.gz PJYWNHOGEVUBQG-ZIAGYGMSSA-N 2 0 285.388 0.726 20 5 CCBDRP C[NH+](C)CCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005296 836095472 /nfs/dbraw/zinc/09/54/72/836095472.db2.gz AHUONQHUPREOHC-KBPBESRZSA-N 2 0 284.404 0.611 20 5 CCBDRP COc1cnc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001159784388 839577675 /nfs/dbraw/zinc/57/76/75/839577675.db2.gz ICKKSHUXBDYXJR-VIFPVBQESA-N 2 0 255.278 0.434 20 5 CCBDRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603431315 363129622 /nfs/dbraw/zinc/12/96/22/363129622.db2.gz VVURMIOZKQPKAC-UHFFFAOYSA-N 2 0 267.333 0.889 20 5 CCBDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000603434110 363131809 /nfs/dbraw/zinc/13/18/09/363131809.db2.gz QDGSAMZESNIPEF-ZJUUUORDSA-N 2 0 253.306 0.507 20 5 CCBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430573959 389809116 /nfs/dbraw/zinc/80/91/16/389809116.db2.gz NIYQPBYHVADECB-MNOVXSKESA-N 2 0 267.333 0.851 20 5 CCBDRP COC(=O)c1ccnc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159785328 801870658 /nfs/dbraw/zinc/87/06/58/801870658.db2.gz PBGWWJKHZREHIA-QMMMGPOBSA-N 2 0 283.288 0.212 20 5 CCBDRP COc1nc(NCCC[NH2+]CCCC[NH3+])ncc1[N+](=O)[O-] ZINC001162289447 802300888 /nfs/dbraw/zinc/30/08/88/802300888.db2.gz VMOCYUDLYONTEL-UHFFFAOYSA-N 2 0 298.347 0.524 20 5 CCBDRP O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)C[NH2+]C2 ZINC001163146052 802493983 /nfs/dbraw/zinc/49/39/83/802493983.db2.gz GFLZVSLWUGWWLN-RAIGVLPGSA-N 2 0 290.323 0.597 20 5 CCBDRP C[N@@H+]1[C@@H]2C[C@H](OCCC[N+](C)(C)C)[C@H]1CC(=O)C2 ZINC001224623723 815347727 /nfs/dbraw/zinc/34/77/27/815347727.db2.gz QBCOGBHSXVADIA-YUTCNCBUSA-N 2 0 255.382 0.904 20 5 CCBDRP COc1ccc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167879950 812388047 /nfs/dbraw/zinc/38/80/47/812388047.db2.gz VDJMJLKRMGBCJT-UHFFFAOYSA-N 2 0 282.304 0.674 20 5 CCBDRP COc1cc([N+](=O)[O-])cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735538 818535931 /nfs/dbraw/zinc/53/59/31/818535931.db2.gz AIKOFSGQNGSGSR-UHFFFAOYSA-N 2 0 294.315 0.592 20 5 CCBDRP CN(c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170055418 836799241 /nfs/dbraw/zinc/79/92/41/836799241.db2.gz CZYOQMYHGNBKJO-UHFFFAOYSA-N 2 0 280.332 0.245 20 5 CCBDRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])nc(C)c1[N+](=O)[O-] ZINC001170897727 839542314 /nfs/dbraw/zinc/54/23/14/839542314.db2.gz JLPFBEVIONVMTJ-SSDOTTSWSA-N 2 0 270.293 0.137 20 5 CCBDRP COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897744 839542894 /nfs/dbraw/zinc/54/28/94/839542894.db2.gz JTIIKFNOBDBEII-SECBINFHSA-N 2 0 283.288 0.212 20 5 CCBDRP COC(=O)c1cc(N[C@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c1 ZINC001170901096 839551310 /nfs/dbraw/zinc/55/13/10/839551310.db2.gz VYXXBZHOAXQBND-NSHDSACASA-N 2 0 282.300 0.817 20 5 CCBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246558511 840013731 /nfs/dbraw/zinc/01/37/31/840013731.db2.gz LODRUYGETQGNFZ-YNEHKIRRSA-N 2 0 271.361 0.608 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C[NH3+] ZINC001173210070 842023500 /nfs/dbraw/zinc/02/35/00/842023500.db2.gz HPJDVMQHMQHBEW-BXKDBHETSA-N 2 0 253.302 0.435 20 5 CCBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000351491848 389592430 /nfs/dbraw/zinc/59/24/30/389592430.db2.gz KFLLBMWQPBTBGY-ZMLRMANQSA-N 2 0 265.317 0.460 20 5 CCBDRP C[NH2+]CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430964929 389841103 /nfs/dbraw/zinc/84/11/03/389841103.db2.gz JRPGVNKHMIMSJG-UHFFFAOYSA-N 2 0 267.333 0.723 20 5 CCBDRP C[NH+]1CCC(C[NH2+]CC[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000905141057 616170291 /nfs/dbraw/zinc/17/02/91/616170291.db2.gz ZXKXRAYRHPEADZ-UHFFFAOYSA-N 2 0 284.404 0.803 20 5 CCBDRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000903843150 634665933 /nfs/dbraw/zinc/66/59/33/634665933.db2.gz DCHIOHUDFJRISD-AXFHLTTASA-N 2 0 265.317 0.603 20 5 CCBDRP O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923460092 640143556 /nfs/dbraw/zinc/14/35/56/640143556.db2.gz LJQIHYQPIRJMGL-CQSZACIVSA-N 2 0 294.355 0.123 20 5 CCBDRP O=[N+]([O-])c1cnc(NCC[C@H]2CCC[NH2+]2)nc1C1C[NH2+]C1 ZINC001158631755 801675041 /nfs/dbraw/zinc/67/50/41/801675041.db2.gz BOLUNNURTMPTAW-SNVBAGLBSA-N 2 0 292.343 0.626 20 5 CCBDRP COc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001159780184 801866950 /nfs/dbraw/zinc/86/69/50/801866950.db2.gz STMSZEKISCQVHE-QMMMGPOBSA-N 2 0 255.278 0.434 20 5 CCBDRP C[C@H](C[N+](C)(C)C)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891955 803923732 /nfs/dbraw/zinc/92/37/32/803923732.db2.gz MIHWMZVMPTVLAO-RFGFWPKPSA-N 2 0 257.398 0.865 20 5 CCBDRP C[N+](C)(C)CCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224620713 815344764 /nfs/dbraw/zinc/34/47/64/815344764.db2.gz AHHUZQBHXPNWLJ-GFCCVEGCSA-N 2 0 262.394 0.083 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cccnc1[N+](=O)[O-] ZINC001167879730 812388530 /nfs/dbraw/zinc/38/85/30/812388530.db2.gz YYLXNAPQSWBRNG-UHFFFAOYSA-N 2 0 252.278 0.665 20 5 CCBDRP [NH3+]CCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168972616 836090879 /nfs/dbraw/zinc/09/08/79/836090879.db2.gz NNGGQEOXLVNOIW-NWDGAFQWSA-N 2 0 256.350 0.008 20 5 CCBDRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169036522 836110549 /nfs/dbraw/zinc/11/05/49/836110549.db2.gz GIAAVTQZLIVKQL-RVMXOQNASA-N 2 0 253.346 0.925 20 5 CCBDRP CN1Cc2cc(N[C@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c2N1 ZINC001170902534 839553682 /nfs/dbraw/zinc/55/36/82/839553682.db2.gz FMILYLASWTXZQI-NSHDSACASA-N 2 0 280.332 0.803 20 5 CCBDRP CC(C)([NH3+])CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001171195502 840068653 /nfs/dbraw/zinc/06/86/53/840068653.db2.gz JLISSMBMLHFINJ-UHFFFAOYSA-N 2 0 266.305 0.221 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638110 840218829 /nfs/dbraw/zinc/21/88/29/840218829.db2.gz AURBZLFIEXIHMR-FRRDWIJNSA-N 2 0 268.361 0.069 20 5 CCBDRP O=[N+]([O-])CC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001120502622 857096964 /nfs/dbraw/zinc/09/69/64/857096964.db2.gz CNIRCZVFJIUXBQ-CQSZACIVSA-N 2 0 279.340 0.620 20 5 CCBDRP C[C@@H]1C[N@@H+](CCCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC001353279124 925779728 /nfs/dbraw/zinc/77/97/28/925779728.db2.gz ZCMXNLBNEHRSCY-TXEJJXNPSA-N 2 0 259.350 0.742 20 5 CCBDRP C[C@@H]1C[NH+](CCCC[NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC001353279125 925780106 /nfs/dbraw/zinc/78/01/06/925780106.db2.gz ZCMXNLBNEHRSCY-VXGBXAGGSA-N 2 0 259.350 0.742 20 5 CCBDRP O=[N+]([O-])c1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000083478372 389002909 /nfs/dbraw/zinc/00/29/09/389002909.db2.gz KVABKQYJSADYRZ-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000519765314 390539496 /nfs/dbraw/zinc/53/94/96/390539496.db2.gz OIGGGLNKFKQHMR-NSHDSACASA-N 2 0 292.339 0.677 20 5 CCBDRP C[C@@]1([NH3+])C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162330672 802324587 /nfs/dbraw/zinc/32/45/87/802324587.db2.gz IBXOHMQMWDODKK-LYWQIFSTSA-N 2 0 278.316 0.363 20 5 CCBDRP [NH3+][C@H]1CCC[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001162396515 802333294 /nfs/dbraw/zinc/33/32/94/802333294.db2.gz KOAYLYHVFMZLMZ-UWVGGRQHSA-N 2 0 292.343 0.753 20 5 CCBDRP C[C@H](C[N+](C)(C)C)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217891954 803924127 /nfs/dbraw/zinc/92/41/27/803924127.db2.gz MIHWMZVMPTVLAO-MQYQWHSLSA-N 2 0 257.398 0.865 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C1 ZINC001246607730 807321641 /nfs/dbraw/zinc/32/16/41/807321641.db2.gz XIHQZENEZHTQOY-CHWSQXEVSA-N 2 0 282.388 0.459 20 5 CCBDRP O=[N+]([O-])c1cnc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc1C1C[NH2+]C1 ZINC001165392168 821056719 /nfs/dbraw/zinc/05/67/19/821056719.db2.gz BRJBCUIDEVWGDZ-VHSXEESVSA-N 2 0 290.327 0.012 20 5 CCBDRP CN1CCC(CO)([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009355 836098289 /nfs/dbraw/zinc/09/82/89/836098289.db2.gz VUNMTUQTBDDUBI-NEPJUHHUSA-N 2 0 271.361 0.478 20 5 CCBDRP C[N@@H+]1CC[C@@](O)(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335457341 920206809 /nfs/dbraw/zinc/20/68/09/920206809.db2.gz LFKYRXIAQKJOCV-UONOGXRCSA-N 2 0 295.339 0.284 20 5 CCBDRP O=[N+]([O-])c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000083478369 178491515 /nfs/dbraw/zinc/49/15/15/178491515.db2.gz ZMJYJTWGYNOPEG-UHFFFAOYSA-N 2 0 264.329 0.590 20 5 CCBDRP CC(C)[C@@](C)(C[NH3+])NCc1cn(C)nc1[N+](=O)[O-] ZINC000603430623 363129804 /nfs/dbraw/zinc/12/98/04/363129804.db2.gz UHRAONYSROFUKC-LLVKDONJSA-N 2 0 255.322 0.791 20 5 CCBDRP C[C@@H]([NH3+])[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000603430612 363129820 /nfs/dbraw/zinc/12/98/20/363129820.db2.gz UAXTZXGAASDRNC-BDAKNGLRSA-N 2 0 253.306 0.497 20 5 CCBDRP O=[N+]([O-])c1cnn(CCN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563215770 291206735 /nfs/dbraw/zinc/20/67/35/291206735.db2.gz ZBFUGBOAAKCFLW-ZDUSSCGKSA-N 2 0 279.344 0.867 20 5 CCBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000442763505 389861587 /nfs/dbraw/zinc/86/15/87/389861587.db2.gz SDVNBRSAWYEQSS-NXEZZACHSA-N 2 0 253.306 0.460 20 5 CCBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000442786787 389863140 /nfs/dbraw/zinc/86/31/40/389863140.db2.gz ZYMJDEUVGNLPKY-NXEZZACHSA-N 2 0 253.306 0.460 20 5 CCBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000342108201 130265750 /nfs/dbraw/zinc/26/57/50/130265750.db2.gz QTOQPAGZANGTHG-CYZMBNFOSA-N 2 0 279.344 0.851 20 5 CCBDRP C[NH+](C)CCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905089824 615910866 /nfs/dbraw/zinc/91/08/66/615910866.db2.gz RTJLYGQFUXYIEI-UHFFFAOYSA-N 2 0 267.329 0.993 20 5 CCBDRP C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982830 641287009 /nfs/dbraw/zinc/28/70/09/641287009.db2.gz IFAIMGAOXNWPLF-KOLCDFICSA-N 2 0 280.328 0.816 20 5 CCBDRP C[C@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155194532 800926443 /nfs/dbraw/zinc/92/64/43/800926443.db2.gz SECNHSUBEJGCDC-VXNVDRBHSA-N 2 0 278.316 0.234 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001246143469 807166244 /nfs/dbraw/zinc/16/62/44/807166244.db2.gz KMNCLWQSNFPVNL-MCIONIFRSA-N 2 0 296.415 0.896 20 5 CCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246412391 807247845 /nfs/dbraw/zinc/24/78/45/807247845.db2.gz CJJDGNIZNZPALE-DCAQKATOSA-N 2 0 272.349 0.004 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001167882805 812402600 /nfs/dbraw/zinc/40/26/00/812402600.db2.gz XXDFGGUULBSQIU-UHFFFAOYSA-N 2 0 270.268 0.804 20 5 CCBDRP Cc1nc(CC[NH3+])nn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168987337 836101159 /nfs/dbraw/zinc/10/11/59/836101159.db2.gz KIKWPCSRDZDONV-UHFFFAOYSA-N 2 0 288.311 0.588 20 5 CCBDRP C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001170568222 838132166 /nfs/dbraw/zinc/13/21/66/838132166.db2.gz FNMJUIOYPYORSU-YMTOWFKASA-N 2 0 292.339 0.987 20 5 CCBDRP COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899715 839546713 /nfs/dbraw/zinc/54/67/13/839546713.db2.gz LUHDYPFGOZEWFX-SECBINFHSA-N 2 0 297.315 0.520 20 5 CCBDRP C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000603427150 363127475 /nfs/dbraw/zinc/12/74/75/363127475.db2.gz BUESIVMCQZRMTQ-WPRPVWTQSA-N 2 0 253.306 0.497 20 5 CCBDRP [NH3+]CCOCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000570451693 291757900 /nfs/dbraw/zinc/75/79/00/291757900.db2.gz YFRLQZYDJJIRAE-UHFFFAOYSA-N 2 0 283.332 0.404 20 5 CCBDRP COc1cc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159783028 801868904 /nfs/dbraw/zinc/86/89/04/801868904.db2.gz AOKJBRPCBPKAJO-SECBINFHSA-N 2 0 269.305 0.742 20 5 CCBDRP CCOC(=O)c1ccnc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159789256 801874028 /nfs/dbraw/zinc/87/40/28/801874028.db2.gz QQVQNZQLOAYFJC-VIFPVBQESA-N 2 0 297.315 0.602 20 5 CCBDRP [NH3+]CCNCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246403401 807243585 /nfs/dbraw/zinc/24/35/85/807243585.db2.gz FMPLQCWEQVVNKK-CQSZACIVSA-N 2 0 292.383 0.980 20 5 CCBDRP [NH3+]C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001246580681 807304331 /nfs/dbraw/zinc/30/43/31/807304331.db2.gz NLHKUJGYHSMSSS-UBHSHLNASA-N 2 0 277.324 0.313 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170897358 839542226 /nfs/dbraw/zinc/54/22/26/839542226.db2.gz FJBCIVJRARKHNM-SECBINFHSA-N 2 0 264.289 0.907 20 5 CCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170901323 839545099 /nfs/dbraw/zinc/54/50/99/839545099.db2.gz ZGQRUEKRFQHPKU-GFCCVEGCSA-N 3 0 265.317 0.634 20 5 CCBDRP COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159789598 839580548 /nfs/dbraw/zinc/58/05/48/839580548.db2.gz VYWGPAHYRDRJQP-SECBINFHSA-N 2 0 283.288 0.212 20 5 CCBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000351862758 389701959 /nfs/dbraw/zinc/70/19/59/389701959.db2.gz QHYBHSXWMCXQDN-VHSXEESVSA-N 2 0 253.306 0.460 20 5 CCBDRP [NH3+]CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000584356621 328739429 /nfs/dbraw/zinc/73/94/29/328739429.db2.gz WEEPAZLZDDBFMY-UHFFFAOYSA-N 2 0 267.333 0.852 20 5 CCBDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000572868565 334886028 /nfs/dbraw/zinc/88/60/28/334886028.db2.gz KNPWRSPQKXNNET-LLVKDONJSA-N 2 0 292.339 0.677 20 5 CCBDRP O=[N+]([O-])c1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(F)c1 ZINC000923460571 640148601 /nfs/dbraw/zinc/14/86/01/640148601.db2.gz GJMJUMLHPCALIL-UHFFFAOYSA-N 2 0 282.319 0.729 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])ccn1 ZINC001157094512 801298861 /nfs/dbraw/zinc/29/88/61/801298861.db2.gz SHICUEYDZJOXOB-UHFFFAOYSA-N 2 0 252.278 0.665 20 5 CCBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C1 ZINC001246218177 807190492 /nfs/dbraw/zinc/19/04/92/807190492.db2.gz NULDJRAIKQQTNT-NWDGAFQWSA-N 2 0 282.388 0.458 20 5 CCBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638121 840218760 /nfs/dbraw/zinc/21/87/60/840218760.db2.gz AURBZLFIEXIHMR-UPJWGTAASA-N 2 0 268.361 0.069 20 5 CCBDRP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000420412118 389998419 /nfs/dbraw/zinc/99/84/19/389998419.db2.gz SDBDDKFGFACJNN-MNOVXSKESA-N 2 0 267.333 0.708 20 5 CCBDRP [NH3+][C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001154989626 800885879 /nfs/dbraw/zinc/88/58/79/800885879.db2.gz RMGRQNLMDFLZCL-UWVGGRQHSA-N 2 0 292.343 0.753 20 5 CCBDRP O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]CC[C@H]2F)nc1C1C[NH2+]C1 ZINC001157451833 801387074 /nfs/dbraw/zinc/38/70/74/801387074.db2.gz PNBRPTSGCPYZNA-BDAKNGLRSA-N 2 0 296.306 0.184 20 5 CCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246412393 807246988 /nfs/dbraw/zinc/24/69/88/807246988.db2.gz CJJDGNIZNZPALE-MXWKQRLJSA-N 2 0 272.349 0.004 20 5 CCBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])CC[NH3+] ZINC001246831999 807398072 /nfs/dbraw/zinc/39/80/72/807398072.db2.gz PNRWPEFHERZIEI-LLVKDONJSA-N 2 0 266.345 0.745 20 5 CCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167878537 812383345 /nfs/dbraw/zinc/38/33/45/812383345.db2.gz MQRCYDUNLHLQER-UHFFFAOYSA-N 2 0 291.315 0.918 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170896828 839539523 /nfs/dbraw/zinc/53/95/23/839539523.db2.gz AJCWGFRTCRPAGD-ZETCQYMHSA-N 2 0 265.277 0.302 20 5 CCBDRP COc1nc(C)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170896829 839539804 /nfs/dbraw/zinc/53/98/04/839539804.db2.gz AKFBTMNNLDCIAH-SSDOTTSWSA-N 2 0 270.293 0.137 20 5 CCBDRP COc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1[N+](=O)[O-] ZINC001170897741 839542641 /nfs/dbraw/zinc/54/26/41/839542641.db2.gz JSNBDWGDFAYTOO-MRVPVSSYSA-N 2 0 255.278 0.434 20 5 CCBDRP COC(=O)c1cc(N[C@@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c1 ZINC001170901095 839551776 /nfs/dbraw/zinc/55/17/76/839551776.db2.gz VYXXBZHOAXQBND-LLVKDONJSA-N 2 0 282.300 0.817 20 5 CCBDRP O=[N+]([O-])c1cnn(CCN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563215731 291206904 /nfs/dbraw/zinc/20/69/04/291206904.db2.gz ZBFUGBOAAKCFLW-CYBMUJFWSA-N 2 0 279.344 0.867 20 5 CCBDRP [NH3+][C@@H]1C[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565234232 291364611 /nfs/dbraw/zinc/36/46/11/291364611.db2.gz SHLZIZMBKRWJTO-CHWSQXEVSA-N 2 0 290.323 0.339 20 5 CCBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000351498885 389595688 /nfs/dbraw/zinc/59/56/88/389595688.db2.gz WLKFSQQQMOHJNT-OUAUKWLOSA-N 2 0 265.317 0.460 20 5 CCBDRP [NH3+]CCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415094241 389656619 /nfs/dbraw/zinc/65/66/19/389656619.db2.gz DKQIFHRZLMLZRL-UHFFFAOYSA-N 2 0 265.317 0.461 20 5 CCBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000351859750 389701080 /nfs/dbraw/zinc/70/10/80/389701080.db2.gz DKCDNKYIUVBSEK-UWVGGRQHSA-N 2 0 253.306 0.460 20 5 CCBDRP C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000420398577 389996854 /nfs/dbraw/zinc/99/68/54/389996854.db2.gz GZCJRNMYECDOOB-MNOVXSKESA-N 2 0 267.333 0.708 20 5 CCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334383 616133089 /nfs/dbraw/zinc/13/30/89/616133089.db2.gz HLIAXWRJBSIRME-DGCLKSJQSA-N 2 0 297.359 0.226 20 5 CCBDRP COCC[N@H+](CC[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000931379142 617023337 /nfs/dbraw/zinc/02/33/37/617023337.db2.gz IPEBICBQFBAPRV-UHFFFAOYSA-N 2 0 259.350 0.553 20 5 CCBDRP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C[NH3+] ZINC000923495587 640162495 /nfs/dbraw/zinc/16/24/95/640162495.db2.gz CNBOKHMZXXDQFI-WDEREUQCSA-N 2 0 267.333 0.708 20 5 CCBDRP [NH3+]CC[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000923488532 640164047 /nfs/dbraw/zinc/16/40/47/640164047.db2.gz BVXNYOFVUAEWQD-SNVBAGLBSA-N 2 0 253.306 0.462 20 5 CCBDRP [NH3+]Cc1cn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cn1 ZINC001162303962 802309949 /nfs/dbraw/zinc/30/99/49/802309949.db2.gz BVAPANBSGYWWLI-UHFFFAOYSA-N 2 0 259.269 0.842 20 5 CCBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025969 836115793 /nfs/dbraw/zinc/11/57/93/836115793.db2.gz KIRQGKSLUIUJIM-KBPBESRZSA-N 2 0 286.420 0.857 20 5 CCBDRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001157093891 836795282 /nfs/dbraw/zinc/79/52/82/836795282.db2.gz HIZQVCPEFAXOFM-UHFFFAOYSA-N 2 0 266.305 0.973 20 5 CCBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[NH3+])c([N+](=O)[O-])c1 ZINC001170298117 837287923 /nfs/dbraw/zinc/28/79/23/837287923.db2.gz FPFBYIYEECAIKM-GXSJLCMTSA-N 2 0 283.328 0.444 20 5 CCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170896962 839540631 /nfs/dbraw/zinc/54/06/31/839540631.db2.gz IKHGPZBSXSNXRJ-JTQLQIEISA-N 2 0 276.300 0.974 20 5 CCBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001246543356 839948891 /nfs/dbraw/zinc/94/88/91/839948891.db2.gz MXYHMPVCYVUKII-XQQFMLRXSA-N 2 0 271.361 0.608 20 5 CCBDRP