smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000095091867 193422514 /nfs/dbraw/zinc/42/25/14/193422514.db2.gz BABGHJHKOAMEGI-SECBINFHSA-N 1 0 300.340 0.268 10 5 DCBERO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2nonc21 ZINC000261617471 285125572 /nfs/dbraw/zinc/12/55/72/285125572.db2.gz BULWQQPYLKZKFM-SNVBAGLBSA-N 1 0 318.337 0.615 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000038031153 395731101 /nfs/dbraw/zinc/73/11/01/395731101.db2.gz SMCOCXUOUBCFPF-UHFFFAOYSA-N 1 0 312.351 0.160 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195450657 395827764 /nfs/dbraw/zinc/82/77/64/395827764.db2.gz UZNSBJXSZBRXAH-LBPRGKRZSA-N 1 0 307.354 0.796 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262006944 396089172 /nfs/dbraw/zinc/08/91/72/396089172.db2.gz VVQVVFPCTHYHEI-UHFFFAOYSA-N 1 0 306.322 0.099 10 5 DCBERO CC(C)C[C@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185313995 396325045 /nfs/dbraw/zinc/32/50/45/396325045.db2.gz DPBNQCQUWSQGQC-YPMHNXCESA-N 1 0 300.359 0.491 10 5 DCBERO CCc1[nH]nc(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000189617721 396397178 /nfs/dbraw/zinc/39/71/78/396397178.db2.gz GGCKRFUNKDPUHA-VIFPVBQESA-N 1 0 311.342 0.019 10 5 DCBERO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000300164082 396715203 /nfs/dbraw/zinc/71/52/03/396715203.db2.gz ATFDFXWYLVNJGR-IONNQARKSA-N 1 0 300.340 0.026 10 5 DCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000590456409 396784805 /nfs/dbraw/zinc/78/48/05/396784805.db2.gz NWRJXJNWSYAUAW-CQSZACIVSA-N 1 0 307.354 0.979 10 5 DCBERO O=C(CC[N@@H+]1CCNC(=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000065955328 158034795 /nfs/dbraw/zinc/03/47/95/158034795.db2.gz ZNYJXXKHHZKIQB-UHFFFAOYSA-N 1 0 306.322 0.745 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000075746965 158063371 /nfs/dbraw/zinc/06/33/71/158063371.db2.gz QJNFFGPVQBERER-QZGMINCNSA-N 1 0 310.354 0.245 10 5 DCBERO CSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262107145 158774435 /nfs/dbraw/zinc/77/44/35/158774435.db2.gz FDSBGGZOXHJZOX-MWLCHTKSSA-N 1 0 311.363 0.627 10 5 DCBERO C[C@@H]1CN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000176237175 416122049 /nfs/dbraw/zinc/12/20/49/416122049.db2.gz PHLWQPIBCSDAKX-CYBMUJFWSA-N 1 0 323.397 0.976 10 5 DCBERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362651623 262055939 /nfs/dbraw/zinc/05/59/39/262055939.db2.gz HRZFTZFTMJZYBA-LLVKDONJSA-N 1 0 310.358 0.280 10 5 DCBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459690471 272003836 /nfs/dbraw/zinc/00/38/36/272003836.db2.gz FPLJBBGDFNPMCN-DXTPNHAXSA-N 1 0 303.322 0.850 10 5 DCBERO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000189006522 524782555 /nfs/dbraw/zinc/78/25/55/524782555.db2.gz JEIDEAALAOXTMQ-SNVBAGLBSA-N 1 0 306.322 0.145 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161441513 525086910 /nfs/dbraw/zinc/08/69/10/525086910.db2.gz HRRSTIDPGMCJSM-VXGBXAGGSA-N 1 0 322.369 0.669 10 5 DCBERO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000156151194 527376504 /nfs/dbraw/zinc/37/65/04/527376504.db2.gz RKIIJQBCNWMUCJ-HUUCEWRRSA-N 1 0 322.317 0.864 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000063020543 184267480 /nfs/dbraw/zinc/26/74/80/184267480.db2.gz DUHNRKOASMWUCK-UHFFFAOYSA-N 1 0 303.340 0.619 10 5 DCBERO CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000195447375 395827338 /nfs/dbraw/zinc/82/73/38/395827338.db2.gz OTKOMVPGCQUOEB-LLVKDONJSA-N 1 0 308.338 0.357 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245421628 395929124 /nfs/dbraw/zinc/92/91/24/395929124.db2.gz IBJMULKHHCXYTK-VNHYZAJKSA-N 1 0 323.397 0.711 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000245583355 395932234 /nfs/dbraw/zinc/93/22/34/395932234.db2.gz KNGZGFVLBGCNGX-STQMWFEESA-N 1 0 306.366 0.925 10 5 DCBERO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261821446 396069738 /nfs/dbraw/zinc/06/97/38/396069738.db2.gz XYHOPILKWLCUSP-UHFFFAOYSA-N 1 0 317.349 0.821 10 5 DCBERO C[C@@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438697 396280420 /nfs/dbraw/zinc/28/04/20/396280420.db2.gz WHYPRJZKLWVGMV-JTQLQIEISA-N 1 0 322.369 0.137 10 5 DCBERO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172943 396223236 /nfs/dbraw/zinc/22/32/36/396223236.db2.gz GIUMLKHABZQZAD-VXGBXAGGSA-N 1 0 320.305 0.572 10 5 DCBERO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000192919779 396440349 /nfs/dbraw/zinc/44/03/49/396440349.db2.gz WBOGITXBUSJHFP-DTORHVGOSA-N 1 0 317.392 0.838 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565777 416199779 /nfs/dbraw/zinc/19/97/79/416199779.db2.gz JXLMUNXLQBZKKQ-NXEZZACHSA-N 1 0 305.338 0.881 10 5 DCBERO C[C@@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000183607418 416247429 /nfs/dbraw/zinc/24/74/29/416247429.db2.gz IMZHSVSCMDNXPV-WDEREUQCSA-N 1 0 323.353 0.909 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nn21 ZINC000373673087 416962264 /nfs/dbraw/zinc/96/22/64/416962264.db2.gz LCIFRWWGNUIJRX-GHMZBOCLSA-N 1 0 318.337 0.913 10 5 DCBERO CCOC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144856 417305354 /nfs/dbraw/zinc/30/53/54/417305354.db2.gz YKKJYGGRTPGULO-NSHDSACASA-N 1 0 324.337 0.303 10 5 DCBERO Nc1c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000160060316 527426814 /nfs/dbraw/zinc/42/68/14/527426814.db2.gz SKMMOOKXCRRNPL-LLVKDONJSA-N 1 0 322.365 0.754 10 5 DCBERO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847302 536000242 /nfs/dbraw/zinc/00/02/42/536000242.db2.gz CPGBAORHCXUJQM-MNOVXSKESA-N 1 0 323.353 0.425 10 5 DCBERO COc1cc(N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000261970018 661936917 /nfs/dbraw/zinc/93/69/17/661936917.db2.gz PYEFNBXYTFPKET-UHFFFAOYSA-N 1 0 308.338 0.471 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704812844 667260099 /nfs/dbraw/zinc/26/00/99/667260099.db2.gz DAODAZHRGCCETG-JQWIXIFHSA-N 1 0 300.384 0.885 10 5 DCBERO Cc1c(C[NH2+]CCCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000230996053 1180554598 /nfs/dbraw/zinc/55/45/98/1180554598.db2.gz IIRFLGTVSWSZKC-UHFFFAOYSA-N 1 0 301.368 0.932 10 5 DCBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261750343 290791478 /nfs/dbraw/zinc/79/14/78/290791478.db2.gz TUQZIWTYLGGVJG-WPRPVWTQSA-N 1 0 314.367 0.429 10 5 DCBERO NS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000037116587 395726168 /nfs/dbraw/zinc/72/61/68/395726168.db2.gz CJRVYPZCZVAACJ-UHFFFAOYSA-N 1 0 300.340 0.406 10 5 DCBERO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000045164786 395761695 /nfs/dbraw/zinc/76/16/95/395761695.db2.gz FLFBJCMLKKCCHG-JTQLQIEISA-N 1 0 308.338 0.391 10 5 DCBERO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177687725 396181053 /nfs/dbraw/zinc/18/10/53/396181053.db2.gz PEJXGYFUBHOFTB-ZDUSSCGKSA-N 1 0 318.333 0.840 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381690498 397272098 /nfs/dbraw/zinc/27/20/98/397272098.db2.gz FJUCKFOSDKEXOS-YUMQZZPRSA-N 1 0 302.356 0.651 10 5 DCBERO O=C(NCCNc1cc[nH+]cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445179752 271746631 /nfs/dbraw/zinc/74/66/31/271746631.db2.gz LAYWJDGNTPPDAM-UHFFFAOYSA-N 1 0 303.278 0.354 10 5 DCBERO Cc1nn(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000571115570 333664415 /nfs/dbraw/zinc/66/44/15/333664415.db2.gz FCAOHPMCMNDYIQ-UHFFFAOYSA-N 1 0 307.354 0.843 10 5 DCBERO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847309 536001256 /nfs/dbraw/zinc/00/12/56/536001256.db2.gz CPGBAORHCXUJQM-WDEREUQCSA-N 1 0 323.353 0.425 10 5 DCBERO CCOc1cccc(N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000261897298 661805810 /nfs/dbraw/zinc/80/58/10/661805810.db2.gz OLLVNOJFZAKAFE-UHFFFAOYSA-N 1 0 322.365 0.862 10 5 DCBERO CC[C@H](CO)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159855074 291236990 /nfs/dbraw/zinc/23/69/90/291236990.db2.gz JHGWVCVDTJDNHB-CYBMUJFWSA-N 1 0 324.381 0.145 10 5 DCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262388059 284002577 /nfs/dbraw/zinc/00/25/77/284002577.db2.gz XREXWPNGAIIAHZ-MWLCHTKSSA-N 1 0 305.290 0.651 10 5 DCBERO C[C@H]([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111302532 395806693 /nfs/dbraw/zinc/80/66/93/395806693.db2.gz NLTQVOCYFYCFMP-QMMMGPOBSA-N 1 0 302.356 0.604 10 5 DCBERO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118105420 395859492 /nfs/dbraw/zinc/85/94/92/395859492.db2.gz WYRKZCAOCYDASA-LBPRGKRZSA-N 1 0 306.322 0.744 10 5 DCBERO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237214623 395907147 /nfs/dbraw/zinc/90/71/47/395907147.db2.gz BNZYIBFFTSQKPA-QYJAPNMZSA-N 1 0 320.349 0.498 10 5 DCBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000246830012 395958705 /nfs/dbraw/zinc/95/87/05/395958705.db2.gz YDKJMVDGRSMPPX-ZIAGYGMSSA-N 1 0 320.353 0.723 10 5 DCBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151728045 395991126 /nfs/dbraw/zinc/99/11/26/395991126.db2.gz GXAREAWKRHXKMW-GFCCVEGCSA-N 1 0 324.385 0.917 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261801398 396067541 /nfs/dbraw/zinc/06/75/41/396067541.db2.gz FSYFUTMRESKWAE-UHFFFAOYSA-N 1 0 324.312 0.238 10 5 DCBERO COc1c(F)cc(S(=O)(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000193230230 396446880 /nfs/dbraw/zinc/44/68/80/396446880.db2.gz QUHIFKKGFNRQRZ-UHFFFAOYSA-N 1 0 307.303 0.370 10 5 DCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604038 158028824 /nfs/dbraw/zinc/02/88/24/158028824.db2.gz YYQZIFHLVLYCNP-UHFFFAOYSA-N 1 0 307.354 0.878 10 5 DCBERO NC(=O)c1ccc(CN2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368223573 159382826 /nfs/dbraw/zinc/38/28/26/159382826.db2.gz QGDVMEWKYWSKLK-ZDUSSCGKSA-N 1 0 320.349 0.210 10 5 DCBERO C[C@@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000131812264 287002044 /nfs/dbraw/zinc/00/20/44/287002044.db2.gz XSZBMBYTCPHEBN-QWHCGFSZSA-N 1 0 324.381 0.143 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420219969 271366850 /nfs/dbraw/zinc/36/68/50/271366850.db2.gz RQODLFYLFFMTCO-QMMMGPOBSA-N 1 0 302.356 0.510 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000153152990 277125280 /nfs/dbraw/zinc/12/52/80/277125280.db2.gz KBVHEQWGNVPSAW-DTWKUNHWSA-N 1 0 309.351 0.823 10 5 DCBERO C[C@H]1C[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000161730434 534095563 /nfs/dbraw/zinc/09/55/63/534095563.db2.gz SLDSQCYQNOQQNG-RYUDHWBXSA-N 1 0 324.385 0.915 10 5 DCBERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000216021139 545939080 /nfs/dbraw/zinc/93/90/80/545939080.db2.gz CHQNTQOKKGZMEI-DTWKUNHWSA-N 1 0 314.367 0.416 10 5 DCBERO CN(C)S(=O)(=O)c1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000119617166 717150328 /nfs/dbraw/zinc/15/03/28/717150328.db2.gz UXGCJHGPANLHEO-UHFFFAOYSA-N 1 0 310.443 0.583 10 5 DCBERO C[N@H+]1C[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000193635494 395775451 /nfs/dbraw/zinc/77/54/51/395775451.db2.gz QDYWJBBMANKHDO-BETUJISGSA-N 1 0 304.350 0.687 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000055197948 395913811 /nfs/dbraw/zinc/91/38/11/395913811.db2.gz QKYZCULTHQLUQK-UHFFFAOYSA-N 1 0 321.381 0.618 10 5 DCBERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000132470512 395927097 /nfs/dbraw/zinc/92/70/97/395927097.db2.gz BHBIXVDKVOUEKM-IUCAKERBSA-N 1 0 314.367 0.416 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155374555 396050569 /nfs/dbraw/zinc/05/05/69/396050569.db2.gz FYKDYSFUBOORDP-CMPLNLGQSA-N 1 0 309.370 0.945 10 5 DCBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261900564 396077352 /nfs/dbraw/zinc/07/73/52/396077352.db2.gz AEVTVSACCMQUIL-CABZTGNLSA-N 1 0 311.363 0.383 10 5 DCBERO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000189796133 396399549 /nfs/dbraw/zinc/39/95/49/396399549.db2.gz IAWSLOJJCYRYKE-UHFFFAOYSA-N 1 0 318.333 0.840 10 5 DCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000604476438 397641105 /nfs/dbraw/zinc/64/11/05/397641105.db2.gz PSQNIQZHAMGZTC-UHFFFAOYSA-N 1 0 307.354 0.843 10 5 DCBERO CCc1nn(C)c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408030645 160016406 /nfs/dbraw/zinc/01/64/06/160016406.db2.gz MLTQVAUSNWARAW-NEPJUHHUSA-N 1 0 309.370 0.800 10 5 DCBERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000408088894 160033508 /nfs/dbraw/zinc/03/35/08/160033508.db2.gz HMKZTOCPYJTDDG-NSHDSACASA-N 1 0 307.354 0.833 10 5 DCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000095091868 415548970 /nfs/dbraw/zinc/54/89/70/415548970.db2.gz BABGHJHKOAMEGI-VIFPVBQESA-N 1 0 300.340 0.268 10 5 DCBERO CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301156661 416076990 /nfs/dbraw/zinc/07/69/90/416076990.db2.gz ANELBCMNSDSTAR-UHFFFAOYSA-N 1 0 307.354 0.867 10 5 DCBERO NC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000193949928 416320529 /nfs/dbraw/zinc/32/05/29/416320529.db2.gz KKEFSBZTHWTMRR-LBPRGKRZSA-N 1 0 322.365 0.952 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246563 658479723 /nfs/dbraw/zinc/47/97/23/658479723.db2.gz FEQINWKWFVTMJC-VIFPVBQESA-N 1 0 315.351 0.573 10 5 DCBERO Cc1nn(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170868240 197842624 /nfs/dbraw/zinc/84/26/24/197842624.db2.gz HTYFDQHMQVRQIQ-LBPRGKRZSA-N 1 0 309.370 0.961 10 5 DCBERO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000173653902 198236371 /nfs/dbraw/zinc/23/63/71/198236371.db2.gz RNBXXBRUUKVXSU-RISCZKNCSA-N 1 0 320.353 0.375 10 5 DCBERO CC[C@@H]([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111304641 395806761 /nfs/dbraw/zinc/80/67/61/395806761.db2.gz UNGUWWBQCGQTTN-SECBINFHSA-N 1 0 316.383 0.994 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247081071 395965310 /nfs/dbraw/zinc/96/53/10/395965310.db2.gz ZIRQOUSSWIMXKR-NEPJUHHUSA-N 1 0 307.354 0.877 10 5 DCBERO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000247176489 395967579 /nfs/dbraw/zinc/96/75/79/395967579.db2.gz RNBXXBRUUKVXSU-BXUZGUMPSA-N 1 0 320.353 0.375 10 5 DCBERO Cn1cc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000247176503 395967744 /nfs/dbraw/zinc/96/77/44/395967744.db2.gz RNBXXBRUUKVXSU-SMDDNHRTSA-N 1 0 320.353 0.375 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247342489 395971808 /nfs/dbraw/zinc/97/18/08/395971808.db2.gz HRRSTIDPGMCJSM-RYUDHWBXSA-N 1 0 322.369 0.669 10 5 DCBERO CC(C)[N@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000155641955 396055318 /nfs/dbraw/zinc/05/53/18/396055318.db2.gz IJJFSQLVZKRJBR-AAEUAGOBSA-N 1 0 322.365 0.601 10 5 DCBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262566931 396155937 /nfs/dbraw/zinc/15/59/37/396155937.db2.gz YDXDFKWGKYTFBD-KBPBESRZSA-N 1 0 307.350 0.757 10 5 DCBERO O=C(Cn1cccc([N+](=O)[O-])c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000608801547 397756126 /nfs/dbraw/zinc/75/61/26/397756126.db2.gz XFFHUCMWUAGEHB-UHFFFAOYSA-N 1 0 320.349 0.500 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447827 158047613 /nfs/dbraw/zinc/04/76/13/158047613.db2.gz FZQLNFROUDIAFT-JTQLQIEISA-N 1 0 316.383 0.898 10 5 DCBERO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000133031195 158315037 /nfs/dbraw/zinc/31/50/37/158315037.db2.gz XKQQTBXLLFEWIK-VIFPVBQESA-N 1 0 315.351 0.586 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186547074 158531906 /nfs/dbraw/zinc/53/19/06/158531906.db2.gz COHLULDTAOROQQ-LLVKDONJSA-N 1 0 307.354 0.843 10 5 DCBERO Cc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000261825221 158743602 /nfs/dbraw/zinc/74/36/02/158743602.db2.gz XAQYAULLDXMXIB-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C[NH3+])C1 ZINC000262417646 158811761 /nfs/dbraw/zinc/81/17/61/158811761.db2.gz RIEWVLOLJWTPAQ-QWRGUYRKSA-N 1 0 308.338 0.755 10 5 DCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000095091863 415550372 /nfs/dbraw/zinc/55/03/72/415550372.db2.gz ILVPAOCWAQSYIX-VIFPVBQESA-N 1 0 300.340 0.410 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000336835403 415826435 /nfs/dbraw/zinc/82/64/35/415826435.db2.gz UJMIIDWRKYZSJO-QMMMGPOBSA-N 1 0 302.356 0.652 10 5 DCBERO CC[C@@H](O)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000172819629 273724451 /nfs/dbraw/zinc/72/44/51/273724451.db2.gz YBVTZALSJNWTKO-GFCCVEGCSA-N 1 0 322.365 0.587 10 5 DCBERO CNS(=O)(=O)c1ccc(N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000234413241 657810737 /nfs/dbraw/zinc/81/07/37/657810737.db2.gz HUNGHOCWVCSOHX-WPRPVWTQSA-N 1 0 314.367 0.286 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000221761372 664359542 /nfs/dbraw/zinc/35/95/42/664359542.db2.gz NNZMVUARIQQBIJ-JQWIXIFHSA-N 1 0 311.363 0.967 10 5 DCBERO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124715867 668122985 /nfs/dbraw/zinc/12/29/85/668122985.db2.gz YMKDEUXZEATFPX-MRVPVSSYSA-N 1 0 303.315 0.846 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000063170826 184275808 /nfs/dbraw/zinc/27/58/08/184275808.db2.gz VBJRXTZCCLNXMR-QMMMGPOBSA-N 1 0 303.340 0.619 10 5 DCBERO C[C@@H]([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111302533 395806892 /nfs/dbraw/zinc/80/68/92/395806892.db2.gz NLTQVOCYFYCFMP-MRVPVSSYSA-N 1 0 302.356 0.604 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000113228515 395828361 /nfs/dbraw/zinc/82/83/61/395828361.db2.gz DCMDILRDYSALND-NWDGAFQWSA-N 1 0 320.349 0.452 10 5 DCBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261900567 396077339 /nfs/dbraw/zinc/07/73/39/396077339.db2.gz AEVTVSACCMQUIL-JOYOIKCWSA-N 1 0 311.363 0.383 10 5 DCBERO COc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261737865 286302627 /nfs/dbraw/zinc/30/26/27/286302627.db2.gz NTFFDQPUXYDBAG-UHFFFAOYSA-N 1 0 322.365 0.467 10 5 DCBERO NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089106043 158096422 /nfs/dbraw/zinc/09/64/22/158096422.db2.gz NGAKHXKXUCPLIX-WCBMZHEXSA-N 1 0 314.367 0.782 10 5 DCBERO CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000245408286 287068746 /nfs/dbraw/zinc/06/87/46/287068746.db2.gz GMPOJGCGGKWPQF-STQMWFEESA-N 1 0 311.386 0.568 10 5 DCBERO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000095072524 415550267 /nfs/dbraw/zinc/55/02/67/415550267.db2.gz ZDPQODMYOVPPMF-VIFPVBQESA-N 1 0 300.340 0.349 10 5 DCBERO COC(=O)c1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000301679677 416088775 /nfs/dbraw/zinc/08/87/75/416088775.db2.gz ULQMLGOTJFNTBG-KGLIPLIRSA-N 1 0 321.333 0.901 10 5 DCBERO CCOc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358051278 416179225 /nfs/dbraw/zinc/17/92/25/416179225.db2.gz BPTYIIQOPCCZNK-HNNXBMFYSA-N 1 0 323.349 0.790 10 5 DCBERO CCOC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451132265 417303158 /nfs/dbraw/zinc/30/31/58/417303158.db2.gz IOBQGBAWXKRZAY-LBPRGKRZSA-N 1 0 324.337 0.303 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156099120 525472456 /nfs/dbraw/zinc/47/24/56/525472456.db2.gz GVHATWOVRWUOMP-JTQLQIEISA-N 1 0 315.351 0.715 10 5 DCBERO C[NH+](C)CC(=O)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051763398 658496138 /nfs/dbraw/zinc/49/61/38/658496138.db2.gz MKLSHAVGNQXERH-UHFFFAOYSA-N 1 0 324.356 0.940 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@H](C)[NH2+]C)c([N+](=O)[O-])c1 ZINC000261802772 661705832 /nfs/dbraw/zinc/70/58/32/661705832.db2.gz RLNOFGSZQNPOMU-QMMMGPOBSA-N 1 0 302.356 0.523 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493064 395756737 /nfs/dbraw/zinc/75/67/37/395756737.db2.gz XFSIFOKQPWRJBC-VIFPVBQESA-N 1 0 314.367 0.796 10 5 DCBERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235367913 395892977 /nfs/dbraw/zinc/89/29/77/395892977.db2.gz ATFDFXWYLVNJGR-APPZFPTMSA-N 1 0 300.340 0.026 10 5 DCBERO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCOCC1 ZINC000246502918 395951616 /nfs/dbraw/zinc/95/16/16/395951616.db2.gz QAHROEBZXNFHNR-CHWSQXEVSA-N 1 0 309.370 0.444 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261633808 396050812 /nfs/dbraw/zinc/05/08/12/396050812.db2.gz CFBZKCKEMXHTIQ-UHFFFAOYSA-N 1 0 320.349 0.028 10 5 DCBERO Cc1c(CN(C)CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000261931588 396080701 /nfs/dbraw/zinc/08/07/01/396080701.db2.gz JULBUTUOZJYABX-UHFFFAOYSA-N 1 0 306.366 0.767 10 5 DCBERO COc1cc(CCNC(=O)C2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000263331004 396214386 /nfs/dbraw/zinc/21/43/86/396214386.db2.gz UWOXJWXMIXFDPB-UHFFFAOYSA-N 1 0 309.322 0.490 10 5 DCBERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187075236 396363119 /nfs/dbraw/zinc/36/31/19/396363119.db2.gz IDDNLWBEGMZYTE-JQWIXIFHSA-N 1 0 321.337 0.907 10 5 DCBERO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611242255 396843435 /nfs/dbraw/zinc/84/34/35/396843435.db2.gz PILSQBWRLWLLPU-CYBMUJFWSA-N 1 0 319.365 0.908 10 5 DCBERO C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599108227 397338969 /nfs/dbraw/zinc/33/89/69/397338969.db2.gz UDDPCBWAXSRDTG-UHFFFAOYSA-N 1 0 303.340 0.109 10 5 DCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000126851444 158268882 /nfs/dbraw/zinc/26/88/82/158268882.db2.gz GWQNSTAXKITDMQ-MRVPVSSYSA-N 1 0 303.315 0.622 10 5 DCBERO NC(=O)c1ccc(CN2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368223572 159382777 /nfs/dbraw/zinc/38/27/77/159382777.db2.gz QGDVMEWKYWSKLK-CYBMUJFWSA-N 1 0 320.349 0.210 10 5 DCBERO CN1CCO[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288893 160076697 /nfs/dbraw/zinc/07/66/97/160076697.db2.gz AIPKGEUPLLGPNT-OLZOCXBDSA-N 1 0 309.297 0.889 10 5 DCBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262156344 416336299 /nfs/dbraw/zinc/33/62/99/416336299.db2.gz IAHONCPXZFGTTF-MFKMUULPSA-N 1 0 308.338 0.093 10 5 DCBERO C[C@@H]1C[N@@H+](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000157968951 524923822 /nfs/dbraw/zinc/92/38/22/524923822.db2.gz FJJUDSQAGGIQFO-CYBMUJFWSA-N 1 0 323.397 0.976 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246966601 527088053 /nfs/dbraw/zinc/08/80/53/527088053.db2.gz FYKDYSFUBOORDP-ZYHUDNBSSA-N 1 0 309.370 0.945 10 5 DCBERO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CC2=CCCOC2)cc1 ZINC000127353089 527377830 /nfs/dbraw/zinc/37/78/30/527377830.db2.gz ZCVKLESHBRFTGS-HUUCEWRRSA-N 1 0 308.334 0.925 10 5 DCBERO NS(=O)(=O)c1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000051694116 660940914 /nfs/dbraw/zinc/94/09/14/660940914.db2.gz CPNZFDBXNDAQSF-UHFFFAOYSA-N 1 0 314.367 0.924 10 5 DCBERO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235679710 662721455 /nfs/dbraw/zinc/72/14/55/662721455.db2.gz ZDTAAXGHFBZJFY-CBAPKCEASA-N 1 0 303.315 0.702 10 5 DCBERO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000725373385 685320515 /nfs/dbraw/zinc/32/05/15/685320515.db2.gz HZFJWQIIYQWRNK-WPRPVWTQSA-N 1 0 303.315 0.655 10 5 DCBERO Cc1nn(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000170868242 197841934 /nfs/dbraw/zinc/84/19/34/197841934.db2.gz HTYFDQHMQVRQIQ-GFCCVEGCSA-N 1 0 309.370 0.961 10 5 DCBERO Cn1cc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000173653914 198236390 /nfs/dbraw/zinc/23/63/90/198236390.db2.gz RNBXXBRUUKVXSU-FZMZJTMJSA-N 1 0 320.353 0.375 10 5 DCBERO O=C1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000073460348 191317907 /nfs/dbraw/zinc/31/79/07/191317907.db2.gz VHBGVDBOALZLTO-LBPRGKRZSA-N 1 0 309.322 0.156 10 5 DCBERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151289188 395983124 /nfs/dbraw/zinc/98/31/24/395983124.db2.gz HVFHBBKUOSDQSA-LLVKDONJSA-N 1 0 310.358 0.575 10 5 DCBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000155365375 396050547 /nfs/dbraw/zinc/05/05/47/396050547.db2.gz UCLMPOYSTGXLLZ-CYBMUJFWSA-N 1 0 322.365 0.456 10 5 DCBERO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261707556 396058708 /nfs/dbraw/zinc/05/87/08/396058708.db2.gz KFAPALKAFLLJDF-UHFFFAOYSA-N 1 0 320.284 0.610 10 5 DCBERO COC[C@@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC[NH2+]1 ZINC000262422960 396138275 /nfs/dbraw/zinc/13/82/75/396138275.db2.gz FDWWWHDZXZHKGY-ZDUSSCGKSA-N 1 0 309.326 0.269 10 5 DCBERO CC(C)[C@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000070447936 158047924 /nfs/dbraw/zinc/04/79/24/158047924.db2.gz MFUVNKVHIDOQBQ-SECBINFHSA-N 1 0 302.356 0.637 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000116784519 158167160 /nfs/dbraw/zinc/16/71/60/158167160.db2.gz GJHYQVYADUMZFQ-GFCCVEGCSA-N 1 0 323.349 0.763 10 5 DCBERO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000126344938 158265249 /nfs/dbraw/zinc/26/52/49/158265249.db2.gz SBPIPPVCQOHMRK-UHFFFAOYSA-N 1 0 311.342 0.469 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000131878017 158307090 /nfs/dbraw/zinc/30/70/90/158307090.db2.gz XXGMDOBAYJIKGO-SECBINFHSA-N 1 0 315.351 0.491 10 5 DCBERO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161343421 158357448 /nfs/dbraw/zinc/35/74/48/158357448.db2.gz GDSIIRRHPSGFTR-FOSCPWQOSA-N 1 0 307.354 0.923 10 5 DCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186511473 158532352 /nfs/dbraw/zinc/53/23/52/158532352.db2.gz YFIMUDFPZXBAHQ-NSHDSACASA-N 1 0 307.354 0.924 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028450 160015905 /nfs/dbraw/zinc/01/59/05/160015905.db2.gz DRKOTVYFMPKBEM-NWDGAFQWSA-N 1 0 320.349 0.452 10 5 DCBERO NC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000193949941 416321262 /nfs/dbraw/zinc/32/12/62/416321262.db2.gz KKEFSBZTHWTMRR-GFCCVEGCSA-N 1 0 322.365 0.952 10 5 DCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000302201713 274004724 /nfs/dbraw/zinc/00/47/24/274004724.db2.gz VKUVROWMCTXPFY-KBPBESRZSA-N 1 0 321.333 0.901 10 5 DCBERO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284847305 536001728 /nfs/dbraw/zinc/00/17/28/536001728.db2.gz CPGBAORHCXUJQM-QWRGUYRKSA-N 1 0 323.353 0.425 10 5 DCBERO CN(C)S(=O)(=O)c1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000068922502 717133185 /nfs/dbraw/zinc/13/31/85/717133185.db2.gz AHIOBKMLMHOYIP-UHFFFAOYSA-N 1 0 310.443 0.583 10 5 DCBERO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187706801 237357659 /nfs/dbraw/zinc/35/76/59/237357659.db2.gz OFNPGLVAPGFKBK-CYBMUJFWSA-N 1 0 309.366 0.972 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030255 395735223 /nfs/dbraw/zinc/73/52/23/395735223.db2.gz JKSXDHXSTKSJCF-QMMMGPOBSA-N 1 0 300.340 0.170 10 5 DCBERO CNS(=O)(=O)c1ccc(NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000054267839 395896963 /nfs/dbraw/zinc/89/69/63/395896963.db2.gz BIQRMWLGHFWLAG-UHFFFAOYSA-N 1 0 314.367 0.667 10 5 DCBERO C[NH2+]CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000070303848 396101148 /nfs/dbraw/zinc/10/11/48/396101148.db2.gz BPNZFHIDQMLPLR-UHFFFAOYSA-N 1 0 303.340 0.443 10 5 DCBERO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@H]2c2cccnc2)n1 ZINC000262140185 396103616 /nfs/dbraw/zinc/10/36/16/396103616.db2.gz DWAVWEOEIUGLAB-ZDUSSCGKSA-N 1 0 302.338 0.833 10 5 DCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262388060 396134383 /nfs/dbraw/zinc/13/43/83/396134383.db2.gz XREXWPNGAIIAHZ-ONGXEEELSA-N 1 0 305.290 0.651 10 5 DCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000176237517 396152383 /nfs/dbraw/zinc/15/23/83/396152383.db2.gz RWMCRWJGPQZUJY-LBPRGKRZSA-N 1 0 305.342 0.795 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116784609 158167566 /nfs/dbraw/zinc/16/75/66/158167566.db2.gz MHRVBACEJGYXFX-AWEZNQCLSA-N 1 0 323.349 0.763 10 5 DCBERO CC[NH+]1CCN(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000076425126 286919686 /nfs/dbraw/zinc/91/96/86/286919686.db2.gz NDSWFJCNGFJYBK-UHFFFAOYSA-N 1 0 306.366 0.849 10 5 DCBERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000095071471 415548599 /nfs/dbraw/zinc/54/85/99/415548599.db2.gz PWUOQBQLMHTYFS-SECBINFHSA-N 1 0 300.340 0.362 10 5 DCBERO C[C@H](CCC[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000336844495 415832346 /nfs/dbraw/zinc/83/23/46/415832346.db2.gz ZRQHLQPZUKMZAC-MRVPVSSYSA-N 1 0 302.356 0.782 10 5 DCBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 ZINC000177225436 416142285 /nfs/dbraw/zinc/14/22/85/416142285.db2.gz IQBHSHZLJINZGM-OCCSQVGLSA-N 1 0 309.370 0.444 10 5 DCBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459690958 272003695 /nfs/dbraw/zinc/00/36/95/272003695.db2.gz FPLJBBGDFNPMCN-LQPUYASZSA-N 1 0 303.322 0.850 10 5 DCBERO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000245442327 525247337 /nfs/dbraw/zinc/24/73/37/525247337.db2.gz HYEGXNPXWLKJGE-MBNYWOFBSA-N 1 0 311.386 0.567 10 5 DCBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000156151077 527379109 /nfs/dbraw/zinc/37/91/09/527379109.db2.gz RKIIJQBCNWMUCJ-CABCVRRESA-N 1 0 322.317 0.864 10 5 DCBERO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261659649 661361973 /nfs/dbraw/zinc/36/19/73/661361973.db2.gz ZDTAAXGHFBZJFY-IONNQARKSA-N 1 0 303.315 0.702 10 5 DCBERO O=[N+]([O-])c1c(N2CCC[N@@H+](CCO)CC2)nc2ccccn21 ZINC000729263861 662761619 /nfs/dbraw/zinc/76/16/19/662761619.db2.gz NIFYTXSQTFZJBU-UHFFFAOYSA-N 1 0 305.338 0.747 10 5 DCBERO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000161440396 237094195 /nfs/dbraw/zinc/09/41/95/237094195.db2.gz MIRASAMLIXXJQB-SNVBAGLBSA-N 1 0 323.396 0.247 10 5 DCBERO CC[NH2+]CCCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000038043432 395730956 /nfs/dbraw/zinc/73/09/56/395730956.db2.gz QMDQDBXCVCCSFB-UHFFFAOYSA-N 1 0 316.383 0.914 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000050241881 395838006 /nfs/dbraw/zinc/83/80/06/395838006.db2.gz IZARTRPOVZJGEI-MRVPVSSYSA-N 1 0 301.324 0.325 10 5 DCBERO CCCc1n[nH]c(C(=O)NC[C@H]2CN(C)CCO2)c1[N+](=O)[O-] ZINC000109621079 395797967 /nfs/dbraw/zinc/79/79/67/395797967.db2.gz XEJFMBCCJNVCPW-VIFPVBQESA-N 1 0 311.342 0.331 10 5 DCBERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000170859565 396099537 /nfs/dbraw/zinc/09/95/37/396099537.db2.gz QUFJEKAOZUJVHW-ZDUSSCGKSA-N 1 0 320.349 0.487 10 5 DCBERO C[NH2+]C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000071148107 396110396 /nfs/dbraw/zinc/11/03/96/396110396.db2.gz UHKIQZOHYYPORU-SECBINFHSA-N 1 0 314.367 0.288 10 5 DCBERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262314833 396122195 /nfs/dbraw/zinc/12/21/95/396122195.db2.gz QTKBDVOREUTMJF-ZYHUDNBSSA-N 1 0 309.322 0.304 10 5 DCBERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187075286 396363279 /nfs/dbraw/zinc/36/32/79/396363279.db2.gz IDDNLWBEGMZYTE-ZYHUDNBSSA-N 1 0 321.337 0.907 10 5 DCBERO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000614298041 397416295 /nfs/dbraw/zinc/41/62/95/397416295.db2.gz JSFXYTBZGZDWRN-UHFFFAOYSA-N 1 0 320.309 0.706 10 5 DCBERO C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000603866096 397623977 /nfs/dbraw/zinc/62/39/77/397623977.db2.gz KTBRVYSERKSOBH-UHFFFAOYSA-N 1 0 307.354 0.867 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000336835402 415827160 /nfs/dbraw/zinc/82/71/60/415827160.db2.gz UJMIIDWRKYZSJO-MRVPVSSYSA-N 1 0 302.356 0.652 10 5 DCBERO CCc1nn(C)c(N2CCC([N@H+](C)CCO)CC2)c1[N+](=O)[O-] ZINC000302076215 416098090 /nfs/dbraw/zinc/09/80/90/416098090.db2.gz YCJDGCPEMXNQII-UHFFFAOYSA-N 1 0 311.386 0.784 10 5 DCBERO C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000124643170 525416247 /nfs/dbraw/zinc/41/62/47/525416247.db2.gz XMZTWIHYYZANNA-VXGBXAGGSA-N 1 0 322.365 0.698 10 5 DCBERO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261659653 661361883 /nfs/dbraw/zinc/36/18/83/661361883.db2.gz ZDTAAXGHFBZJFY-VXNVDRBHSA-N 1 0 303.315 0.702 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030256 395735134 /nfs/dbraw/zinc/73/51/34/395735134.db2.gz JKSXDHXSTKSJCF-MRVPVSSYSA-N 1 0 300.340 0.170 10 5 DCBERO Cc1ncn(-c2ccc([N+](=O)[O-])cc2OC[C@@H](O)CC[NH3+])n1 ZINC000113657269 395831606 /nfs/dbraw/zinc/83/16/06/395831606.db2.gz QXBZOFYKXMWVLQ-NSHDSACASA-N 1 0 307.310 0.572 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000132232399 395926454 /nfs/dbraw/zinc/92/64/54/395926454.db2.gz PWERRKOERCWXMN-ZDUSSCGKSA-N 1 0 322.365 0.163 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246977710 395962932 /nfs/dbraw/zinc/96/29/32/395962932.db2.gz DUOOSYPMJMOITF-ZYHUDNBSSA-N 1 0 307.354 0.795 10 5 DCBERO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261666439 396054155 /nfs/dbraw/zinc/05/41/55/396054155.db2.gz HIVMKTWQKJVKFC-AWEZNQCLSA-N 1 0 302.338 0.833 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261757392 396062730 /nfs/dbraw/zinc/06/27/30/396062730.db2.gz PMYZVWANFHIBBG-UHFFFAOYSA-N 1 0 324.312 0.238 10 5 DCBERO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262274617 396117454 /nfs/dbraw/zinc/11/74/54/396117454.db2.gz NILKEBTYXIKUDJ-PWSUYJOCSA-N 1 0 309.322 0.060 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH2+]C2CC2)CC1 ZINC000269303673 396405896 /nfs/dbraw/zinc/40/58/96/396405896.db2.gz VTDARKQWDSDVAV-UHFFFAOYSA-N 1 0 305.338 0.810 10 5 DCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000611335000 396856202 /nfs/dbraw/zinc/85/62/02/396856202.db2.gz WTFIALLOTZQFDE-LLVKDONJSA-N 1 0 307.354 0.886 10 5 DCBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183476 160054556 /nfs/dbraw/zinc/05/45/56/160054556.db2.gz RKCFETYPNRXLEL-WDEREUQCSA-N 1 0 308.342 0.272 10 5 DCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000069503879 415400023 /nfs/dbraw/zinc/40/00/23/415400023.db2.gz PSBBXAILXKPWML-NSHDSACASA-N 1 0 311.342 0.018 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261930158 276914510 /nfs/dbraw/zinc/91/45/10/276914510.db2.gz JHTCFKQXWVHFKQ-UHFFFAOYSA-N 1 0 310.329 0.598 10 5 DCBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000229606288 525551019 /nfs/dbraw/zinc/55/10/19/525551019.db2.gz YUEAQVIKIORMSM-WPRPVWTQSA-N 1 0 314.367 0.795 10 5 DCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262388058 284002569 /nfs/dbraw/zinc/00/25/69/284002569.db2.gz XREXWPNGAIIAHZ-KOLCDFICSA-N 1 0 305.290 0.651 10 5 DCBERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548752 395818621 /nfs/dbraw/zinc/81/86/21/395818621.db2.gz CVCYHFSAGPAUMO-NEPJUHHUSA-N 1 0 322.365 0.842 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450651 395827253 /nfs/dbraw/zinc/82/72/53/395827253.db2.gz UZNSBJXSZBRXAH-GFCCVEGCSA-N 1 0 307.354 0.796 10 5 DCBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000261668442 396053820 /nfs/dbraw/zinc/05/38/20/396053820.db2.gz BRZNQKCAGSVXFT-GJYTXDDASA-N 1 0 308.342 0.209 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153124190 396021665 /nfs/dbraw/zinc/02/16/65/396021665.db2.gz MQBKACWLTFXNFW-ZIAGYGMSSA-N 1 0 320.349 0.474 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262027919 396091312 /nfs/dbraw/zinc/09/13/12/396091312.db2.gz YKIUSPHYRPQWPM-UHFFFAOYSA-N 1 0 306.322 0.099 10 5 DCBERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000170845429 396098711 /nfs/dbraw/zinc/09/87/11/396098711.db2.gz FIAOIQROOFZKAG-LBPRGKRZSA-N 1 0 306.322 0.696 10 5 DCBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780677 396139519 /nfs/dbraw/zinc/13/95/19/396139519.db2.gz YDKJMVDGRSMPPX-UONOGXRCSA-N 1 0 320.353 0.723 10 5 DCBERO CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000261966378 396084932 /nfs/dbraw/zinc/08/49/32/396084932.db2.gz PJJUHIPXCZWSHW-UHFFFAOYSA-N 1 0 306.366 0.501 10 5 DCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262307912 158794734 /nfs/dbraw/zinc/79/47/34/158794734.db2.gz QFLITEQCRXZVGC-SKDRFNHKSA-N 1 0 313.741 0.487 10 5 DCBERO COC(=O)c1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679676 416087850 /nfs/dbraw/zinc/08/78/50/416087850.db2.gz ULQMLGOTJFNTBG-KBPBESRZSA-N 1 0 321.333 0.901 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000301968198 416096878 /nfs/dbraw/zinc/09/68/78/416096878.db2.gz PGUKZBMAZRRGRL-NXEZZACHSA-N 1 0 304.310 0.157 10 5 DCBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)c(Cl)c1 ZINC000459696665 272005444 /nfs/dbraw/zinc/00/54/44/272005444.db2.gz MATZXLPQUDEZRW-LLVKDONJSA-N 1 0 311.729 0.990 10 5 DCBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459696555 272005532 /nfs/dbraw/zinc/00/55/32/272005532.db2.gz LNHMOPHIFUIMRF-ZDUSSCGKSA-N 1 0 321.337 0.736 10 5 DCBERO C[NH2+]C[C@@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000156657956 522052462 /nfs/dbraw/zinc/05/24/62/522052462.db2.gz JDFQADNQERETOT-VIFPVBQESA-N 1 0 314.367 0.430 10 5 DCBERO NS(=O)(=O)c1ccc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000236190530 658693580 /nfs/dbraw/zinc/69/35/80/658693580.db2.gz KKSGQGFTVXIIGG-UHFFFAOYSA-N 1 0 300.340 0.536 10 5 DCBERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000174780666 198384714 /nfs/dbraw/zinc/38/47/14/198384714.db2.gz YDKJMVDGRSMPPX-KBPBESRZSA-N 1 0 320.353 0.723 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195049841 395814095 /nfs/dbraw/zinc/81/40/95/395814095.db2.gz NZPQRMDFGMGWPM-LBPRGKRZSA-N 1 0 307.354 0.796 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000116786815 395845628 /nfs/dbraw/zinc/84/56/28/395845628.db2.gz VQOYWDJXQOTDJT-LBPRGKRZSA-N 1 0 322.365 0.796 10 5 DCBERO COc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000263145433 396202799 /nfs/dbraw/zinc/20/27/99/396202799.db2.gz CQUPCFKKVVHUQZ-JQWIXIFHSA-N 1 0 311.338 0.282 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](O)C[C@@H]1CO ZINC000179171139 396223194 /nfs/dbraw/zinc/22/31/94/396223194.db2.gz JQCADYKVVIXEDT-NEPJUHHUSA-N 1 0 309.322 0.269 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301661159 416088013 /nfs/dbraw/zinc/08/80/13/416088013.db2.gz MQBKACWLTFXNFW-KGLIPLIRSA-N 1 0 320.349 0.474 10 5 DCBERO CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443792302 416782947 /nfs/dbraw/zinc/78/29/47/416782947.db2.gz RHZKOJJMWOKUEM-UHFFFAOYSA-N 1 0 301.368 0.918 10 5 DCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000302201717 274004636 /nfs/dbraw/zinc/00/46/36/274004636.db2.gz VKUVROWMCTXPFY-ZIAGYGMSSA-N 1 0 321.333 0.901 10 5 DCBERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885791 536479831 /nfs/dbraw/zinc/47/98/31/536479831.db2.gz GFARHSSAVGQZCQ-CHWSQXEVSA-N 1 0 320.349 0.722 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160548099 237085726 /nfs/dbraw/zinc/08/57/26/237085726.db2.gz GASOTBGNMQHTKT-CYBMUJFWSA-N 1 0 322.365 0.875 10 5 DCBERO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2nonc21 ZINC000261617466 285125658 /nfs/dbraw/zinc/12/56/58/285125658.db2.gz BULWQQPYLKZKFM-JTQLQIEISA-N 1 0 318.337 0.615 10 5 DCBERO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342627 395740338 /nfs/dbraw/zinc/74/03/38/395740338.db2.gz ZUKGCKZMCZNKHE-WPRPVWTQSA-N 1 0 314.367 0.416 10 5 DCBERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548718 395818667 /nfs/dbraw/zinc/81/86/67/395818667.db2.gz FZOYWMBWVXPCOY-RISCZKNCSA-N 1 0 322.365 0.842 10 5 DCBERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548715 395818851 /nfs/dbraw/zinc/81/88/51/395818851.db2.gz FZOYWMBWVXPCOY-BXUZGUMPSA-N 1 0 322.365 0.842 10 5 DCBERO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235673367 395893108 /nfs/dbraw/zinc/89/31/08/395893108.db2.gz ATFDFXWYLVNJGR-CBAPKCEASA-N 1 0 300.340 0.026 10 5 DCBERO NC(=O)c1ccc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000125954543 395908619 /nfs/dbraw/zinc/90/86/19/395908619.db2.gz AEVXQTXMEALHSS-UHFFFAOYSA-N 1 0 304.350 0.974 10 5 DCBERO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@H](C)O ZINC000246159991 395943035 /nfs/dbraw/zinc/94/30/35/395943035.db2.gz IDFKOFXABYQPQO-STQMWFEESA-N 1 0 311.386 0.568 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247077413 395965639 /nfs/dbraw/zinc/96/56/39/395965639.db2.gz ZAQVCTATILHJFE-NEPJUHHUSA-N 1 0 307.354 0.877 10 5 DCBERO CN1CC[NH2+]C[C@H]1c1noc(C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000263236173 396208368 /nfs/dbraw/zinc/20/83/68/396208368.db2.gz OBXPJAMODCWNIC-JTQLQIEISA-N 1 0 321.341 0.534 10 5 DCBERO C[NH+](C)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264015848 396249749 /nfs/dbraw/zinc/24/97/49/396249749.db2.gz MPRAUUQUQMXGPM-VIFPVBQESA-N 1 0 314.367 0.383 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186547060 396351892 /nfs/dbraw/zinc/35/18/92/396351892.db2.gz COHLULDTAOROQQ-NSHDSACASA-N 1 0 307.354 0.843 10 5 DCBERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000300164083 396714933 /nfs/dbraw/zinc/71/49/33/396714933.db2.gz ATFDFXWYLVNJGR-VXNVDRBHSA-N 1 0 300.340 0.026 10 5 DCBERO CCc1n[nH]c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284758028 415600462 /nfs/dbraw/zinc/60/04/62/415600462.db2.gz OMYGRIFELWXEBI-WDEREUQCSA-N 1 0 323.353 0.425 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178604118 416166288 /nfs/dbraw/zinc/16/62/88/416166288.db2.gz IPEYUIHSXCVDAM-LLVKDONJSA-N 1 0 308.342 0.281 10 5 DCBERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000229606310 525010734 /nfs/dbraw/zinc/01/07/34/525010734.db2.gz YUEAQVIKIORMSM-PSASIEDQSA-N 1 0 314.367 0.795 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284885794 536469215 /nfs/dbraw/zinc/46/92/15/536469215.db2.gz GFARHSSAVGQZCQ-STQMWFEESA-N 1 0 320.349 0.722 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000312870707 659616481 /nfs/dbraw/zinc/61/64/81/659616481.db2.gz SVTQQWBKOXEECP-QMMMGPOBSA-N 1 0 303.340 0.571 10 5 DCBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261750342 661616104 /nfs/dbraw/zinc/61/61/04/661616104.db2.gz TUQZIWTYLGGVJG-WCBMZHEXSA-N 1 0 314.367 0.429 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000221755123 664359759 /nfs/dbraw/zinc/35/97/59/664359759.db2.gz RBUBNGYMZBNWNF-GWCFXTLKSA-N 1 0 311.363 0.967 10 5 DCBERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000700751288 666758639 /nfs/dbraw/zinc/75/86/39/666758639.db2.gz FGGJQKJQEXGJDK-IONNQARKSA-N 1 0 303.315 0.763 10 5 DCBERO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187705895 237353373 /nfs/dbraw/zinc/35/33/73/237353373.db2.gz LNERDGPYEUZYIP-NSHDSACASA-N 1 0 322.365 0.192 10 5 DCBERO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000063178435 184276790 /nfs/dbraw/zinc/27/67/90/184276790.db2.gz GZDYTOINZADWTM-NSHDSACASA-N 1 0 312.395 0.943 10 5 DCBERO C[N@H+]1C[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193620563 395774643 /nfs/dbraw/zinc/77/46/43/395774643.db2.gz OUXXJHITYREQGO-MJBXVCDLSA-N 1 0 321.377 0.828 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131911845 395925727 /nfs/dbraw/zinc/92/57/27/395925727.db2.gz GCUPMBAGYRYBNE-MRVPVSSYSA-N 1 0 300.340 0.264 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053254406 395879351 /nfs/dbraw/zinc/87/93/51/395879351.db2.gz CZIQTFPCJXWPAC-VIFPVBQESA-N 1 0 315.351 0.634 10 5 DCBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247470462 395973891 /nfs/dbraw/zinc/97/38/91/395973891.db2.gz RUMNKNFFVCEBLX-WCQYABFASA-N 1 0 309.370 0.980 10 5 DCBERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000170859563 396099642 /nfs/dbraw/zinc/09/96/42/396099642.db2.gz QUFJEKAOZUJVHW-CYBMUJFWSA-N 1 0 320.349 0.487 10 5 DCBERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000184731632 396304097 /nfs/dbraw/zinc/30/40/97/396304097.db2.gz JNFNXTGLMTUIKB-GHMZBOCLSA-N 1 0 309.322 0.351 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000596033185 396710728 /nfs/dbraw/zinc/71/07/28/396710728.db2.gz RKEGYSBXNUSXJH-QMMMGPOBSA-N 1 0 302.356 0.523 10 5 DCBERO Cc1ccc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301827295 396717955 /nfs/dbraw/zinc/71/79/55/396717955.db2.gz PPAKLEZNUGGKGG-CQSZACIVSA-N 1 0 322.409 0.948 10 5 DCBERO C[NH2+]CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599106716 397339050 /nfs/dbraw/zinc/33/90/50/397339050.db2.gz INHUHLQDYWMEGJ-UHFFFAOYSA-N 1 0 303.340 0.109 10 5 DCBERO Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000407964646 397339062 /nfs/dbraw/zinc/33/90/62/397339062.db2.gz UCWBOKTZSZDRHW-ZDUSSCGKSA-N 1 0 322.413 0.935 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367460295 397401668 /nfs/dbraw/zinc/40/16/68/397401668.db2.gz ZOVWOJCTULXCPJ-WFASDCNBSA-N 1 0 320.349 0.403 10 5 DCBERO O=C(CC[N@@H+]1CCNC(=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000065955338 158034523 /nfs/dbraw/zinc/03/45/23/158034523.db2.gz TWIKGXAVSSILDB-UHFFFAOYSA-N 1 0 306.322 0.745 10 5 DCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170808843 416034283 /nfs/dbraw/zinc/03/42/83/416034283.db2.gz BSBQRQRBAYMBOU-NSHDSACASA-N 1 0 311.342 0.018 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000176739204 416133606 /nfs/dbraw/zinc/13/36/06/416133606.db2.gz BBNGHKNVFKOMBG-SNVBAGLBSA-N 1 0 308.338 0.580 10 5 DCBERO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 ZINC000177225455 416141859 /nfs/dbraw/zinc/14/18/59/416141859.db2.gz IQBHSHZLJINZGM-JSGCOSHPSA-N 1 0 309.370 0.444 10 5 DCBERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095070594 277001399 /nfs/dbraw/zinc/00/13/99/277001399.db2.gz VVJBMKYXOCRBCP-SECBINFHSA-N 1 0 300.340 0.362 10 5 DCBERO COCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000131816167 523854181 /nfs/dbraw/zinc/85/41/81/523854181.db2.gz JFRCQCUPMUDUIB-CYBMUJFWSA-N 1 0 324.381 0.409 10 5 DCBERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725029 524905310 /nfs/dbraw/zinc/90/53/10/524905310.db2.gz VLVJYESECKYJRQ-PHIMTYICSA-N 1 0 308.338 0.308 10 5 DCBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000229606294 525009844 /nfs/dbraw/zinc/00/98/44/525009844.db2.gz YUEAQVIKIORMSM-SCZZXKLOSA-N 1 0 314.367 0.795 10 5 DCBERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]CC2=CCCOC2)cc1 ZINC000127353541 527377418 /nfs/dbraw/zinc/37/74/18/527377418.db2.gz ZCVKLESHBRFTGS-LSDHHAIUSA-N 1 0 308.334 0.925 10 5 DCBERO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284847299 536000348 /nfs/dbraw/zinc/00/03/48/536000348.db2.gz CPGBAORHCXUJQM-GHMZBOCLSA-N 1 0 323.353 0.425 10 5 DCBERO Cn1cncc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998173 658440500 /nfs/dbraw/zinc/44/05/00/658440500.db2.gz TXVIIOQBTDSWQY-KBPBESRZSA-N 1 0 306.322 0.512 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261602318 661316625 /nfs/dbraw/zinc/31/66/25/661316625.db2.gz BYPJCDJKSQDBGX-PSASIEDQSA-N 1 0 315.351 0.714 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531675 664353956 /nfs/dbraw/zinc/35/39/56/664353956.db2.gz XLFYEPKPPVQEHL-VIFPVBQESA-N 1 0 314.367 0.417 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@H](O)C[NH+]3CCCCC3)nn21 ZINC000157820287 291229568 /nfs/dbraw/zinc/22/95/68/291229568.db2.gz XJRMCARDNMRZTB-NSHDSACASA-N 1 0 320.353 0.896 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000050241880 395838065 /nfs/dbraw/zinc/83/80/65/395838065.db2.gz IZARTRPOVZJGEI-QMMMGPOBSA-N 1 0 301.324 0.325 10 5 DCBERO CCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000054266449 395896545 /nfs/dbraw/zinc/89/65/45/395896545.db2.gz QYFCYBGNDALZOV-UHFFFAOYSA-N 1 0 317.367 0.881 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247342479 395971705 /nfs/dbraw/zinc/97/17/05/395971705.db2.gz HRRSTIDPGMCJSM-NEPJUHHUSA-N 1 0 322.369 0.669 10 5 DCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262146522 396104150 /nfs/dbraw/zinc/10/41/50/396104150.db2.gz HNOOKZZEICQXSC-YGRLFVJLSA-N 1 0 320.349 0.479 10 5 DCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262307911 396121342 /nfs/dbraw/zinc/12/13/42/396121342.db2.gz QFLITEQCRXZVGC-JOYOIKCWSA-N 1 0 313.741 0.487 10 5 DCBERO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262314826 396121952 /nfs/dbraw/zinc/12/19/52/396121952.db2.gz QTKBDVOREUTMJF-JQWIXIFHSA-N 1 0 309.322 0.304 10 5 DCBERO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000181228233 396238004 /nfs/dbraw/zinc/23/80/04/396238004.db2.gz XTWDBYQPAKXFFJ-NSHDSACASA-N 1 0 322.365 0.754 10 5 DCBERO C[C@H](CN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264438699 396280376 /nfs/dbraw/zinc/28/03/76/396280376.db2.gz WHYPRJZKLWVGMV-SNVBAGLBSA-N 1 0 322.369 0.137 10 5 DCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000611335001 396855493 /nfs/dbraw/zinc/85/54/93/396855493.db2.gz WTFIALLOTZQFDE-NSHDSACASA-N 1 0 307.354 0.886 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087384023 158091318 /nfs/dbraw/zinc/09/13/18/158091318.db2.gz PGXPHUACEVLKDE-JTQLQIEISA-N 1 0 315.351 0.619 10 5 DCBERO CN1CCO[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408288892 160076878 /nfs/dbraw/zinc/07/68/78/160076878.db2.gz AIPKGEUPLLGPNT-CHWSQXEVSA-N 1 0 309.297 0.889 10 5 DCBERO Cn1cc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cn1 ZINC000301303732 416079705 /nfs/dbraw/zinc/07/97/05/416079705.db2.gz WWAAQCTZXMXWCT-SECBINFHSA-N 1 0 306.330 0.415 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000284845549 277151875 /nfs/dbraw/zinc/15/18/75/277151875.db2.gz CJKGCSVHRCXZRY-STQMWFEESA-N 1 0 320.349 0.722 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116784607 521851335 /nfs/dbraw/zinc/85/13/35/521851335.db2.gz MHRVBACEJGYXFX-CQSZACIVSA-N 1 0 323.349 0.763 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000246951306 395961506 /nfs/dbraw/zinc/96/15/06/395961506.db2.gz DCMDILRDYSALND-NEPJUHHUSA-N 1 0 320.349 0.452 10 5 DCBERO CC[NH+](CC)[C@H](C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151268020 395982606 /nfs/dbraw/zinc/98/26/06/395982606.db2.gz BYFJARARTNCEAJ-LLVKDONJSA-N 1 0 312.374 0.821 10 5 DCBERO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000261702603 396057947 /nfs/dbraw/zinc/05/79/47/396057947.db2.gz JTFRRZWZPRPCLV-UHFFFAOYSA-N 1 0 318.337 0.216 10 5 DCBERO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000263930503 396243389 /nfs/dbraw/zinc/24/33/89/396243389.db2.gz UQUGZAVWMGNBLQ-SNVBAGLBSA-N 1 0 322.369 0.137 10 5 DCBERO NS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089106044 158096290 /nfs/dbraw/zinc/09/62/90/158096290.db2.gz NGAKHXKXUCPLIX-WPRPVWTQSA-N 1 0 314.367 0.782 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)nc1 ZINC000095091940 415549925 /nfs/dbraw/zinc/54/99/25/415549925.db2.gz WNYWJRFHGWVUDK-UHFFFAOYSA-N 1 0 300.340 0.268 10 5 DCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000302201715 416097816 /nfs/dbraw/zinc/09/78/16/416097816.db2.gz VKUVROWMCTXPFY-KGLIPLIRSA-N 1 0 321.333 0.901 10 5 DCBERO CC[C@@H](CO)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159854977 291236507 /nfs/dbraw/zinc/23/65/07/291236507.db2.gz JHGWVCVDTJDNHB-ZDUSSCGKSA-N 1 0 324.381 0.145 10 5 DCBERO C[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194724855 395805449 /nfs/dbraw/zinc/80/54/49/395805449.db2.gz LEYXXZICRYHXMC-ZDUSSCGKSA-N 1 0 320.349 0.535 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245421626 395929103 /nfs/dbraw/zinc/92/91/03/395929103.db2.gz IBJMULKHHCXYTK-UMVBOHGHSA-N 1 0 323.397 0.711 10 5 DCBERO CCOCC[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000246220885 395944455 /nfs/dbraw/zinc/94/44/55/395944455.db2.gz PBJOSFYXNYSDPJ-CYBMUJFWSA-N 1 0 311.386 0.834 10 5 DCBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177404947 396174683 /nfs/dbraw/zinc/17/46/83/396174683.db2.gz KMZMGHHKYSCBFE-AWEZNQCLSA-N 1 0 311.338 0.571 10 5 DCBERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595121752 396552844 /nfs/dbraw/zinc/55/28/44/396552844.db2.gz QUZGJKXUXXQUET-RKDXNWHRSA-N 1 0 303.315 0.655 10 5 DCBERO C[C@H]1CN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000176237192 416122191 /nfs/dbraw/zinc/12/21/91/416122191.db2.gz PHLWQPIBCSDAKX-ZDUSSCGKSA-N 1 0 323.397 0.976 10 5 DCBERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183666674 416249196 /nfs/dbraw/zinc/24/91/96/416249196.db2.gz DEVIXDAYTFRRHW-CQSZACIVSA-N 1 0 322.365 0.918 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@H+]3CCCO)nn21 ZINC000450602001 417246443 /nfs/dbraw/zinc/24/64/43/417246443.db2.gz ZJAANBBDZLQSME-LLVKDONJSA-N 1 0 320.353 0.896 10 5 DCBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420257786 262367582 /nfs/dbraw/zinc/36/75/82/262367582.db2.gz WYCXDTWRUSMQSO-HZGVNTEJSA-N 1 0 317.143 0.166 10 5 DCBERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095071458 277300275 /nfs/dbraw/zinc/30/02/75/277300275.db2.gz HYXOUHLGCVJCBR-VIFPVBQESA-N 1 0 300.340 0.362 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000161909701 526468010 /nfs/dbraw/zinc/46/80/10/526468010.db2.gz UMCLEBWIDNUWID-GFCCVEGCSA-N 1 0 320.353 0.447 10 5 DCBERO [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000725374208 658614813 /nfs/dbraw/zinc/61/48/13/658614813.db2.gz KALMDDOWPCFKHR-IUCAKERBSA-N 1 0 303.315 0.655 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000261636080 661338619 /nfs/dbraw/zinc/33/86/19/661338619.db2.gz CPWPVNSSNJOMBH-UHFFFAOYSA-N 1 0 318.337 0.339 10 5 DCBERO COC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525238 185300310 /nfs/dbraw/zinc/30/03/10/185300310.db2.gz CQNRBNXOIVDSFJ-LLVKDONJSA-N 1 0 309.322 0.642 10 5 DCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195045318 395814401 /nfs/dbraw/zinc/81/44/01/395814401.db2.gz UDJLGNYTCSCCIP-GFCCVEGCSA-N 1 0 307.354 0.878 10 5 DCBERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548592 395818999 /nfs/dbraw/zinc/81/89/99/395818999.db2.gz ULPRPNOBXLWFMK-RISCZKNCSA-N 1 0 322.365 0.842 10 5 DCBERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000116977944 395850364 /nfs/dbraw/zinc/85/03/64/395850364.db2.gz BZIDUEZBVUZDOY-NSHDSACASA-N 1 0 322.365 0.888 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230053997 395877107 /nfs/dbraw/zinc/87/71/07/395877107.db2.gz QQFZNKUIWYZHFC-UHFFFAOYSA-N 1 0 315.351 0.763 10 5 DCBERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262056011 396094813 /nfs/dbraw/zinc/09/48/13/396094813.db2.gz AMNGDXYMCXGXGV-ZWNOBZJWSA-N 1 0 307.350 0.569 10 5 DCBERO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262107149 396099995 /nfs/dbraw/zinc/09/99/95/396099995.db2.gz FDSBGGZOXHJZOX-ONGXEEELSA-N 1 0 311.363 0.627 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261871292 396074498 /nfs/dbraw/zinc/07/44/98/396074498.db2.gz SYPRXDNKRBWACK-CQSZACIVSA-N 1 0 323.349 0.974 10 5 DCBERO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079920590 396272355 /nfs/dbraw/zinc/27/23/55/396272355.db2.gz AHNFSXWGBMICMN-AWEZNQCLSA-N 1 0 311.338 0.910 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381690497 397272632 /nfs/dbraw/zinc/27/26/32/397272632.db2.gz FJUCKFOSDKEXOS-SFYZADRCSA-N 1 0 302.356 0.651 10 5 DCBERO C[C@@H]([NH3+])CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000063171627 158031232 /nfs/dbraw/zinc/03/12/32/158031232.db2.gz HPLHMWJWTUZHFD-SECBINFHSA-N 1 0 316.383 0.994 10 5 DCBERO C[C@H]([NH3+])CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000063171626 158031242 /nfs/dbraw/zinc/03/12/42/158031242.db2.gz HPLHMWJWTUZHFD-VIFPVBQESA-N 1 0 316.383 0.994 10 5 DCBERO CCc1nn(C)c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408030648 160016752 /nfs/dbraw/zinc/01/67/52/160016752.db2.gz MLTQVAUSNWARAW-NWDGAFQWSA-N 1 0 309.370 0.800 10 5 DCBERO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCOCC1 ZINC000177224604 416141358 /nfs/dbraw/zinc/14/13/58/416141358.db2.gz QAHROEBZXNFHNR-STQMWFEESA-N 1 0 309.370 0.444 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000179205602 416185023 /nfs/dbraw/zinc/18/50/23/416185023.db2.gz JSMJHOQRDCPPHD-UHFFFAOYSA-N 1 0 306.366 0.927 10 5 DCBERO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000189397525 261131519 /nfs/dbraw/zinc/13/15/19/261131519.db2.gz CUSPJTQBJSUNPJ-SNVBAGLBSA-N 1 0 308.338 0.197 10 5 DCBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459690956 272003902 /nfs/dbraw/zinc/00/39/02/272003902.db2.gz FPLJBBGDFNPMCN-HSBHDXMMSA-N 1 0 303.322 0.850 10 5 DCBERO CC[C@H](O)C[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302029836 273754580 /nfs/dbraw/zinc/75/45/80/273754580.db2.gz JLFGHUPZEDXXSM-ZDUSSCGKSA-N 1 0 309.366 0.980 10 5 DCBERO C[NH+](C)C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000131875895 521880656 /nfs/dbraw/zinc/88/06/56/521880656.db2.gz UMTRUFTZKQEEKB-ZDUSSCGKSA-N 1 0 310.354 0.019 10 5 DCBERO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113225526 395828793 /nfs/dbraw/zinc/82/87/93/395828793.db2.gz GDUFZCCEJGVKAA-ONGXEEELSA-N 1 0 307.354 0.945 10 5 DCBERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000132470684 395927710 /nfs/dbraw/zinc/92/77/10/395927710.db2.gz BHBIXVDKVOUEKM-BDAKNGLRSA-N 1 0 314.367 0.416 10 5 DCBERO C[NH2+]CCCNS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000193235737 158581400 /nfs/dbraw/zinc/58/14/00/158581400.db2.gz URYFJLTVDYEELO-UHFFFAOYSA-N 1 0 305.331 0.930 10 5 DCBERO Cc1nn(C)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040138 160019690 /nfs/dbraw/zinc/01/96/90/160019690.db2.gz DISBGGWUKHZUPK-GHMZBOCLSA-N 1 0 323.353 0.182 10 5 DCBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]C[C@H]2O)c(Br)c1 ZINC000420249725 287286079 /nfs/dbraw/zinc/28/60/79/287286079.db2.gz JLPCWJGNQNXKRL-IMTBSYHQSA-N 1 0 317.143 0.745 10 5 DCBERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000452779038 417502487 /nfs/dbraw/zinc/50/24/87/417502487.db2.gz SHHKLIJUUNKTSR-LBPRGKRZSA-N 1 0 324.385 0.813 10 5 DCBERO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362302419 262020576 /nfs/dbraw/zinc/02/05/76/262020576.db2.gz YHHIZZNLFVEKEK-LLVKDONJSA-N 1 0 310.358 0.377 10 5 DCBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420250792 262368043 /nfs/dbraw/zinc/36/80/43/262368043.db2.gz ZTWJRNBEWWONBE-HZGVNTEJSA-N 1 0 317.143 0.745 10 5 DCBERO C[NH2+][C@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261668332 277297394 /nfs/dbraw/zinc/29/73/94/277297394.db2.gz GNAZDRFIHJWWKN-SECBINFHSA-N 1 0 309.322 0.633 10 5 DCBERO COC[C@@H](O)C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000553827977 288307902 /nfs/dbraw/zinc/30/79/02/288307902.db2.gz ZYKQHUGGGHRTKX-NSHDSACASA-N 1 0 314.338 0.751 10 5 DCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152584361 664765433 /nfs/dbraw/zinc/76/54/33/664765433.db2.gz UHBGEIVAYOFLDJ-AWEZNQCLSA-N 1 0 322.413 0.851 10 5 DCBERO Cc1nn(C)c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000195410404 282255309 /nfs/dbraw/zinc/25/53/09/282255309.db2.gz KHPJRYJMOYKPLL-UHFFFAOYSA-N 1 0 307.354 0.947 10 5 DCBERO C[NH+](C)CCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000006831703 181396776 /nfs/dbraw/zinc/39/67/76/181396776.db2.gz UCXXQBCKVQHKCB-UHFFFAOYSA-N 1 0 302.356 0.407 10 5 DCBERO C[NH+]1CCN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000020153975 182193340 /nfs/dbraw/zinc/19/33/40/182193340.db2.gz SBFMTAITBUANQO-UHFFFAOYSA-N 1 0 307.354 0.964 10 5 DCBERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548713 395818928 /nfs/dbraw/zinc/81/89/28/395818928.db2.gz FZOYWMBWVXPCOY-SMDDNHRTSA-N 1 0 322.365 0.842 10 5 DCBERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000246829994 395958890 /nfs/dbraw/zinc/95/88/90/395958890.db2.gz YDKJMVDGRSMPPX-KGLIPLIRSA-N 1 0 320.353 0.723 10 5 DCBERO Cc1cccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000261782003 396064741 /nfs/dbraw/zinc/06/47/41/396064741.db2.gz SBYVDEADLVNOOX-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251943672 396018028 /nfs/dbraw/zinc/01/80/28/396018028.db2.gz ZUKGCKZMCZNKHE-PSASIEDQSA-N 1 0 314.367 0.416 10 5 DCBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262227576 396113145 /nfs/dbraw/zinc/11/31/45/396113145.db2.gz KAVOTGQBONJXRK-PELKAZGASA-N 1 0 311.363 0.627 10 5 DCBERO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263254432 396209402 /nfs/dbraw/zinc/20/94/02/396209402.db2.gz QJSAIFYTTIVBBC-MWLCHTKSSA-N 1 0 317.292 0.866 10 5 DCBERO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000183983370 396280181 /nfs/dbraw/zinc/28/01/81/396280181.db2.gz HJXBELFAPPKUBM-NSHDSACASA-N 1 0 323.353 0.149 10 5 DCBERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000610808417 396765980 /nfs/dbraw/zinc/76/59/80/396765980.db2.gz JVHUNQZULBBAPM-ZDUSSCGKSA-N 1 0 319.365 0.733 10 5 DCBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000611615696 396895792 /nfs/dbraw/zinc/89/57/92/396895792.db2.gz IFIPBGJFYOQXPC-UHFFFAOYSA-N 1 0 321.381 0.817 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133171034 158316887 /nfs/dbraw/zinc/31/68/87/158316887.db2.gz CGFHUDKTOBFSLQ-SECBINFHSA-N 1 0 300.340 0.391 10 5 DCBERO CCc1nn(C)c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408030651 160016911 /nfs/dbraw/zinc/01/69/11/160016911.db2.gz MLTQVAUSNWARAW-VXGBXAGGSA-N 1 0 309.370 0.800 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000408093009 160034168 /nfs/dbraw/zinc/03/41/68/160034168.db2.gz MTRPRXGHYHAHKQ-KBPBESRZSA-N 1 0 321.333 0.846 10 5 DCBERO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000041967283 415208155 /nfs/dbraw/zinc/20/81/55/415208155.db2.gz UHLWKQJSDKCKBW-UHFFFAOYSA-N 1 0 310.354 0.996 10 5 DCBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000095092260 415549065 /nfs/dbraw/zinc/54/90/65/415549065.db2.gz FDJKRTAJXYVIRT-SECBINFHSA-N 1 0 308.319 0.674 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000173588119 416062300 /nfs/dbraw/zinc/06/23/00/416062300.db2.gz GYBUBOSRLRWTNJ-AWEZNQCLSA-N 1 0 309.370 0.322 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175014389 416094699 /nfs/dbraw/zinc/09/46/99/416094699.db2.gz ZIRQOUSSWIMXKR-VXGBXAGGSA-N 1 0 307.354 0.877 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178605233 416166909 /nfs/dbraw/zinc/16/69/09/416166909.db2.gz MLQFAKGVJMFAGI-UHFFFAOYSA-N 1 0 322.369 0.671 10 5 DCBERO C[NH2+][C@@H](C)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261750407 658175529 /nfs/dbraw/zinc/17/55/29/658175529.db2.gz TWPNYIGHLJOPTF-VIFPVBQESA-N 1 0 316.383 0.865 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000234246388 658229337 /nfs/dbraw/zinc/22/93/37/658229337.db2.gz SKVVIZGOKJNZJW-UHFFFAOYSA-N 1 0 313.745 0.511 10 5 DCBERO C[C@H]1C[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000161730190 237102252 /nfs/dbraw/zinc/10/22/52/237102252.db2.gz SLDSQCYQNOQQNG-NWDGAFQWSA-N 1 0 324.385 0.915 10 5 DCBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247470455 395974441 /nfs/dbraw/zinc/97/44/41/395974441.db2.gz RUMNKNFFVCEBLX-AAEUAGOBSA-N 1 0 309.370 0.980 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261595901 396047668 /nfs/dbraw/zinc/04/76/68/396047668.db2.gz ISDXAFQTRKFZQZ-WCBMZHEXSA-N 1 0 315.351 0.571 10 5 DCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262146514 396104190 /nfs/dbraw/zinc/10/41/90/396104190.db2.gz HNOOKZZEICQXSC-IINYFYTJSA-N 1 0 320.349 0.479 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179183134 396224117 /nfs/dbraw/zinc/22/41/17/396224117.db2.gz OPSUUFBWIYYJNA-OLZOCXBDSA-N 1 0 323.349 0.659 10 5 DCBERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073357 160029396 /nfs/dbraw/zinc/02/93/96/160029396.db2.gz QHCSSCVRYIYWGL-JTQLQIEISA-N 1 0 323.353 0.643 10 5 DCBERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183474 160054710 /nfs/dbraw/zinc/05/47/10/160054710.db2.gz RKCFETYPNRXLEL-MNOVXSKESA-N 1 0 308.342 0.272 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175045957 416095141 /nfs/dbraw/zinc/09/51/41/416095141.db2.gz ZAQVCTATILHJFE-VXGBXAGGSA-N 1 0 307.354 0.877 10 5 DCBERO O=C(CC[N@@H+]1CCNC(=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128503753 526490792 /nfs/dbraw/zinc/49/07/92/526490792.db2.gz JPFJFWWEGXKKSH-UHFFFAOYSA-N 1 0 324.312 0.884 10 5 DCBERO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095072516 283469313 /nfs/dbraw/zinc/46/93/13/283469313.db2.gz GSIHOJGRKAPHBY-VIFPVBQESA-N 1 0 300.340 0.349 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095091938 193422080 /nfs/dbraw/zinc/42/20/80/193422080.db2.gz NLXXBDMRTZVNLQ-SECBINFHSA-N 1 0 300.340 0.268 10 5 DCBERO O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000261911766 285140880 /nfs/dbraw/zinc/14/08/80/285140880.db2.gz QJLCEYGKRXHROZ-GFCCVEGCSA-N 1 0 316.365 0.955 10 5 DCBERO C[N@H+]1C[C@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193612616 395773817 /nfs/dbraw/zinc/77/38/17/395773817.db2.gz KZVPOPDMUSUXJU-VNHYZAJKSA-N 1 0 321.377 0.828 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234859180 395891187 /nfs/dbraw/zinc/89/11/87/395891187.db2.gz ISDXAFQTRKFZQZ-SCZZXKLOSA-N 1 0 315.351 0.571 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234859262 395891505 /nfs/dbraw/zinc/89/15/05/395891505.db2.gz ISDXAFQTRKFZQZ-WPRPVWTQSA-N 1 0 315.351 0.571 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000137050782 395949243 /nfs/dbraw/zinc/94/92/43/395949243.db2.gz ZVLUAMRXWTWRRD-CABCVRRESA-N 1 0 309.366 0.891 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000247194244 395969069 /nfs/dbraw/zinc/96/90/69/395969069.db2.gz SZEMZKUGDZMWAY-DGCLKSJQSA-N 1 0 321.341 0.081 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000261826759 396070533 /nfs/dbraw/zinc/07/05/33/396070533.db2.gz BDABAXMOSQNRJE-UHFFFAOYSA-N 1 0 306.322 0.099 10 5 DCBERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262056008 396094449 /nfs/dbraw/zinc/09/44/49/396094449.db2.gz AMNGDXYMCXGXGV-MFKMUULPSA-N 1 0 307.350 0.569 10 5 DCBERO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262274612 396117550 /nfs/dbraw/zinc/11/75/50/396117550.db2.gz NILKEBTYXIKUDJ-CMPLNLGQSA-N 1 0 309.322 0.060 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000261868972 396074488 /nfs/dbraw/zinc/07/44/88/396074488.db2.gz CXYVXFQBJPPFAW-UHFFFAOYSA-N 1 0 323.349 0.975 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367460292 397401830 /nfs/dbraw/zinc/40/18/30/397401830.db2.gz ZOVWOJCTULXCPJ-DOMZBBRYSA-N 1 0 320.349 0.403 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603881 158028217 /nfs/dbraw/zinc/02/82/17/158028217.db2.gz DBRXBHGLBCKVCG-UHFFFAOYSA-N 1 0 307.354 0.796 10 5 DCBERO NS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089106042 158096304 /nfs/dbraw/zinc/09/63/04/158096304.db2.gz NGAKHXKXUCPLIX-SCZZXKLOSA-N 1 0 314.367 0.782 10 5 DCBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CCO1 ZINC000136502684 158342399 /nfs/dbraw/zinc/34/23/99/158342399.db2.gz UJFCNASFEWLNFP-SNVBAGLBSA-N 1 0 323.353 0.643 10 5 DCBERO Cc1[nH]nc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231661 160064446 /nfs/dbraw/zinc/06/44/46/160064446.db2.gz JKIZSBWQKWKFAX-JTQLQIEISA-N 1 0 309.326 0.173 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178604135 416166817 /nfs/dbraw/zinc/16/68/17/416166817.db2.gz IPEYUIHSXCVDAM-NSHDSACASA-N 1 0 308.342 0.281 10 5 DCBERO CC[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000036299399 337352823 /nfs/dbraw/zinc/35/28/23/337352823.db2.gz CNSKTSDEQNESSV-UHFFFAOYSA-N 1 0 317.367 0.881 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000020544754 182229578 /nfs/dbraw/zinc/22/95/78/182229578.db2.gz CWENXGKYQJHSSC-UHFFFAOYSA-N 1 0 315.351 0.587 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493066 395756792 /nfs/dbraw/zinc/75/67/92/395756792.db2.gz XFSIFOKQPWRJBC-SECBINFHSA-N 1 0 314.367 0.796 10 5 DCBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151267947 395982932 /nfs/dbraw/zinc/98/29/32/395982932.db2.gz BYFJARARTNCEAJ-NSHDSACASA-N 1 0 312.374 0.821 10 5 DCBERO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000173525606 396135278 /nfs/dbraw/zinc/13/52/78/396135278.db2.gz HYEGXNPXWLKJGE-BZPMIXESSA-N 1 0 311.386 0.567 10 5 DCBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261900571 396077228 /nfs/dbraw/zinc/07/72/28/396077228.db2.gz AEVTVSACCMQUIL-SKDRFNHKSA-N 1 0 311.363 0.383 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCOCC1 ZINC000189356444 396394032 /nfs/dbraw/zinc/39/40/32/396394032.db2.gz JKCFSRXXFUQHNT-UHFFFAOYSA-N 1 0 308.338 0.750 10 5 DCBERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595120641 396552741 /nfs/dbraw/zinc/55/27/41/396552741.db2.gz JSOSPROBGOWMNC-GHMZBOCLSA-N 1 0 303.315 0.655 10 5 DCBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000263199791 158862170 /nfs/dbraw/zinc/86/21/70/158862170.db2.gz IWOZFBULGGRYLH-SNVBAGLBSA-N 1 0 322.300 0.942 10 5 DCBERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000408088893 160033458 /nfs/dbraw/zinc/03/34/58/160033458.db2.gz HMKZTOCPYJTDDG-LLVKDONJSA-N 1 0 307.354 0.833 10 5 DCBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097106846 415585427 /nfs/dbraw/zinc/58/54/27/415585427.db2.gz OOACTAIQSZCLFL-JTQLQIEISA-N 1 0 308.338 0.887 10 5 DCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183614837 416247367 /nfs/dbraw/zinc/24/73/67/416247367.db2.gz LCNHVIJFKGIOAP-NSHDSACASA-N 1 0 323.353 0.958 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nn21 ZINC000373673089 416959665 /nfs/dbraw/zinc/95/96/65/416959665.db2.gz LCIFRWWGNUIJRX-QWRGUYRKSA-N 1 0 318.337 0.913 10 5 DCBERO CCOC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451132264 417302763 /nfs/dbraw/zinc/30/27/63/417302763.db2.gz IOBQGBAWXKRZAY-GFCCVEGCSA-N 1 0 324.337 0.303 10 5 DCBERO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420257788 262367888 /nfs/dbraw/zinc/36/78/88/262367888.db2.gz WYCXDTWRUSMQSO-IMTBSYHQSA-N 1 0 317.143 0.166 10 5 DCBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247053078 519694582 /nfs/dbraw/zinc/69/45/82/519694582.db2.gz IJJFSQLVZKRJBR-WCQYABFASA-N 1 0 322.365 0.601 10 5 DCBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CO)ccc1Br ZINC000090282802 545716217 /nfs/dbraw/zinc/71/62/17/545716217.db2.gz BAEUPRKMVYTOCM-MRVPVSSYSA-N 1 0 305.128 0.800 10 5 DCBERO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261750340 661616126 /nfs/dbraw/zinc/61/61/26/661616126.db2.gz TUQZIWTYLGGVJG-SCZZXKLOSA-N 1 0 314.367 0.429 10 5 DCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152584246 664765363 /nfs/dbraw/zinc/76/53/63/664765363.db2.gz UHBGEIVAYOFLDJ-CQSZACIVSA-N 1 0 322.413 0.851 10 5 DCBERO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187706815 237354227 /nfs/dbraw/zinc/35/42/27/237354227.db2.gz OFNPGLVAPGFKBK-ZDUSSCGKSA-N 1 0 309.366 0.972 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H](O)C[NH+]3CCCCC3)nn21 ZINC000157820422 291229664 /nfs/dbraw/zinc/22/96/64/291229664.db2.gz XJRMCARDNMRZTB-LLVKDONJSA-N 1 0 320.353 0.896 10 5 DCBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159807441 291236401 /nfs/dbraw/zinc/23/64/01/291236401.db2.gz LJJCPFVBMAFAMQ-GHMZBOCLSA-N 1 0 308.338 0.342 10 5 DCBERO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000045164787 395761822 /nfs/dbraw/zinc/76/18/22/395761822.db2.gz FLFBJCMLKKCCHG-SNVBAGLBSA-N 1 0 308.338 0.391 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116790393 395846057 /nfs/dbraw/zinc/84/60/57/395846057.db2.gz XVZKTDKPLAOCEG-CQSZACIVSA-N 1 0 307.350 0.926 10 5 DCBERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000132470382 395927189 /nfs/dbraw/zinc/92/71/89/395927189.db2.gz BHBIXVDKVOUEKM-RKDXNWHRSA-N 1 0 314.367 0.416 10 5 DCBERO C[NH2+][C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000133113898 395928515 /nfs/dbraw/zinc/92/85/15/395928515.db2.gz UAIYZWPGOLVPOI-QMMMGPOBSA-N 1 0 300.340 0.040 10 5 DCBERO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263254430 396209618 /nfs/dbraw/zinc/20/96/18/396209618.db2.gz QJSAIFYTTIVBBC-KOLCDFICSA-N 1 0 317.292 0.866 10 5 DCBERO Cc1sc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193089186 396443584 /nfs/dbraw/zinc/44/35/84/396443584.db2.gz RNVKFWIHDPHJPA-UHFFFAOYSA-N 1 0 312.395 0.942 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCCC2)CC1 ZINC000193521244 396453111 /nfs/dbraw/zinc/45/31/11/396453111.db2.gz YGNQZGDCUSNGER-UHFFFAOYSA-N 1 0 307.354 0.878 10 5 DCBERO COC(=O)c1cc(C)nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000587390424 396671030 /nfs/dbraw/zinc/67/10/30/396671030.db2.gz UEKYDPXTCPEXOY-NXEZZACHSA-N 1 0 306.322 0.740 10 5 DCBERO CC(C)(CO)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000611240855 396843918 /nfs/dbraw/zinc/84/39/18/396843918.db2.gz JDHGOVYETCHQGL-UHFFFAOYSA-N 1 0 320.353 0.530 10 5 DCBERO C[NH2+]CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000127100255 158270403 /nfs/dbraw/zinc/27/04/03/158270403.db2.gz WADHFNBPVLMTLG-UHFFFAOYSA-N 1 0 317.367 0.833 10 5 DCBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CCO1 ZINC000408073359 160029640 /nfs/dbraw/zinc/02/96/40/160029640.db2.gz QHCSSCVRYIYWGL-SNVBAGLBSA-N 1 0 323.353 0.643 10 5 DCBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095072467 415547557 /nfs/dbraw/zinc/54/75/57/415547557.db2.gz SYAYNHSTMUHWQL-SECBINFHSA-N 1 0 300.340 0.492 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000285259435 415608955 /nfs/dbraw/zinc/60/89/55/415608955.db2.gz ZMEKNCQPCXTLNU-ZIAGYGMSSA-N 1 0 320.349 0.603 10 5 DCBERO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@@H](C)O ZINC000176232450 416122356 /nfs/dbraw/zinc/12/23/56/416122356.db2.gz IDFKOFXABYQPQO-CHWSQXEVSA-N 1 0 311.386 0.568 10 5 DCBERO CN(C[C@@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000265166638 416340450 /nfs/dbraw/zinc/34/04/50/416340450.db2.gz AAOQZQFCTMFIDW-SNVBAGLBSA-N 1 0 307.354 0.867 10 5 DCBERO CC[NH2+][C@H](C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000387490598 417092003 /nfs/dbraw/zinc/09/20/03/417092003.db2.gz YXPYQYCMEDZNJL-MRVPVSSYSA-N 1 0 302.356 0.652 10 5 DCBERO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362251693 262015235 /nfs/dbraw/zinc/01/52/35/262015235.db2.gz TWMPYJRFXOUJIQ-LLVKDONJSA-N 1 0 310.358 0.377 10 5 DCBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420257790 262367917 /nfs/dbraw/zinc/36/79/17/262367917.db2.gz WYCXDTWRUSMQSO-MUWHJKNJSA-N 1 0 317.143 0.166 10 5 DCBERO C[NH+](C)C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000131875696 521853815 /nfs/dbraw/zinc/85/38/15/521853815.db2.gz UMTRUFTZKQEEKB-CYBMUJFWSA-N 1 0 310.354 0.019 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000149403801 522440468 /nfs/dbraw/zinc/44/04/68/522440468.db2.gz DRVFUEAFNMZIPT-UHFFFAOYSA-N 1 0 313.745 0.511 10 5 DCBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000172613085 198123814 /nfs/dbraw/zinc/12/38/14/198123814.db2.gz RUMNKNFFVCEBLX-DGCLKSJQSA-N 1 0 309.370 0.980 10 5 DCBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261837927 396071347 /nfs/dbraw/zinc/07/13/47/396071347.db2.gz YGWJYGUHNBJWHB-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO Cc1ccc(N(C)C[C@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301827293 396717862 /nfs/dbraw/zinc/71/78/62/396717862.db2.gz PPAKLEZNUGGKGG-AWEZNQCLSA-N 1 0 322.409 0.948 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381690496 397272158 /nfs/dbraw/zinc/27/21/58/397272158.db2.gz FJUCKFOSDKEXOS-JGVFFNPUSA-N 1 0 302.356 0.651 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381690495 397272305 /nfs/dbraw/zinc/27/23/05/397272305.db2.gz FJUCKFOSDKEXOS-HTQZYQBOSA-N 1 0 302.356 0.651 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000116784521 158167420 /nfs/dbraw/zinc/16/74/20/158167420.db2.gz GJHYQVYADUMZFQ-LBPRGKRZSA-N 1 0 323.349 0.763 10 5 DCBERO COC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301679678 416088635 /nfs/dbraw/zinc/08/86/35/416088635.db2.gz ULQMLGOTJFNTBG-UONOGXRCSA-N 1 0 321.333 0.901 10 5 DCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000301968199 416097664 /nfs/dbraw/zinc/09/76/64/416097664.db2.gz PGUKZBMAZRRGRL-UWVGGRQHSA-N 1 0 304.310 0.157 10 5 DCBERO C[C@@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181115751 416204572 /nfs/dbraw/zinc/20/45/72/416204572.db2.gz RPLWZFJIFBTICX-IUODEOHRSA-N 1 0 309.366 0.939 10 5 DCBERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000155345673 289217942 /nfs/dbraw/zinc/21/79/42/289217942.db2.gz MHCKUUTWVSQIOT-LBPRGKRZSA-N 1 0 322.365 0.796 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000161700530 526468196 /nfs/dbraw/zinc/46/81/96/526468196.db2.gz CYXYMBCQADNMJD-LBPRGKRZSA-N 1 0 322.369 0.671 10 5 DCBERO Cn1cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000132083262 527319694 /nfs/dbraw/zinc/31/96/94/527319694.db2.gz DISFJMHMJIBCRP-LBPRGKRZSA-N 1 0 317.349 0.980 10 5 DCBERO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000161440536 237096415 /nfs/dbraw/zinc/09/64/15/237096415.db2.gz MIRASAMLIXXJQB-JTQLQIEISA-N 1 0 323.396 0.247 10 5 DCBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159807564 291236513 /nfs/dbraw/zinc/23/65/13/291236513.db2.gz LJJCPFVBMAFAMQ-WDEREUQCSA-N 1 0 308.338 0.342 10 5 DCBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H](N4CC[NH2+]CC4)C3)nc2c1 ZINC000261810594 285140874 /nfs/dbraw/zinc/14/08/74/285140874.db2.gz GJDRLZLRSMKEJF-GFCCVEGCSA-N 1 0 316.365 0.955 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131912056 395925544 /nfs/dbraw/zinc/92/55/44/395925544.db2.gz GCUPMBAGYRYBNE-QMMMGPOBSA-N 1 0 300.340 0.264 10 5 DCBERO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262274620 396117483 /nfs/dbraw/zinc/11/74/83/396117483.db2.gz NILKEBTYXIKUDJ-ZYHUDNBSSA-N 1 0 309.322 0.060 10 5 DCBERO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000183983387 396279978 /nfs/dbraw/zinc/27/99/78/396279978.db2.gz HJXBELFAPPKUBM-LLVKDONJSA-N 1 0 323.353 0.149 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188606269 396383469 /nfs/dbraw/zinc/38/34/69/396383469.db2.gz LYXZRHMGXZYDAO-UHFFFAOYSA-N 1 0 307.354 0.796 10 5 DCBERO CC[C@@H](CO)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183597092 416246631 /nfs/dbraw/zinc/24/66/31/416246631.db2.gz UJJKYGGOHSDVGS-NSHDSACASA-N 1 0 323.353 0.910 10 5 DCBERO CN(C[C@H]1CCC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000265166636 416340290 /nfs/dbraw/zinc/34/02/90/416340290.db2.gz AAOQZQFCTMFIDW-JTQLQIEISA-N 1 0 307.354 0.867 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC[N@H+]3CCCO)nn21 ZINC000450602002 417248084 /nfs/dbraw/zinc/24/80/84/417248084.db2.gz ZJAANBBDZLQSME-NSHDSACASA-N 1 0 320.353 0.896 10 5 DCBERO C[NH+](C)CC(=O)N1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824199 276776493 /nfs/dbraw/zinc/77/64/93/276776493.db2.gz WKIPTEGCLDBJOO-UHFFFAOYSA-N 1 0 310.329 0.944 10 5 DCBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000155641836 519690836 /nfs/dbraw/zinc/69/08/36/519690836.db2.gz IJJFSQLVZKRJBR-YPMHNXCESA-N 1 0 322.365 0.601 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000090290020 185289679 /nfs/dbraw/zinc/28/96/79/185289679.db2.gz XZOVJCKFSQEWOM-UHFFFAOYSA-N 1 0 301.324 0.196 10 5 DCBERO C[NH+](C)[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273510090 282264854 /nfs/dbraw/zinc/26/48/54/282264854.db2.gz ULHTWTAJJIEBHF-VIFPVBQESA-N 1 0 314.367 0.383 10 5 DCBERO CC[C@H]([NH3+])CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000111304644 185578156 /nfs/dbraw/zinc/57/81/56/185578156.db2.gz QHBBMGCHMXWVSA-QMMMGPOBSA-N 1 0 302.356 0.652 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310225 190956131 /nfs/dbraw/zinc/95/61/31/190956131.db2.gz SXYRXYZXDKCRCO-JTQLQIEISA-N 1 0 315.351 0.586 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000021021000 182261697 /nfs/dbraw/zinc/26/16/97/182261697.db2.gz KQNQEINBDSTEHO-SECBINFHSA-N 1 0 315.351 0.715 10 5 DCBERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548749 395818787 /nfs/dbraw/zinc/81/87/87/395818787.db2.gz CVCYHFSAGPAUMO-RYUDHWBXSA-N 1 0 322.365 0.842 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000113228513 395828583 /nfs/dbraw/zinc/82/85/83/395828583.db2.gz DCMDILRDYSALND-VXGBXAGGSA-N 1 0 320.349 0.452 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000116795729 395846037 /nfs/dbraw/zinc/84/60/37/395846037.db2.gz MXPMWCOIVQFWOL-AWEZNQCLSA-N 1 0 323.349 0.763 10 5 DCBERO CCCc1n[nH]c(C(=O)NC[C@@H]2CN(C)CCO2)c1[N+](=O)[O-] ZINC000109621077 395798080 /nfs/dbraw/zinc/79/80/80/395798080.db2.gz XEJFMBCCJNVCPW-SECBINFHSA-N 1 0 311.342 0.331 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245421625 395929309 /nfs/dbraw/zinc/92/93/09/395929309.db2.gz IBJMULKHHCXYTK-IPYPFGDCSA-N 1 0 323.397 0.711 10 5 DCBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247081091 395965839 /nfs/dbraw/zinc/96/58/39/395965839.db2.gz ZIRQOUSSWIMXKR-RYUDHWBXSA-N 1 0 307.354 0.877 10 5 DCBERO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251943674 396018336 /nfs/dbraw/zinc/01/83/36/396018336.db2.gz ZUKGCKZMCZNKHE-WCBMZHEXSA-N 1 0 314.367 0.416 10 5 DCBERO CN1CC[NH2+]C[C@@H]1c1noc(C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000263236174 396208584 /nfs/dbraw/zinc/20/85/84/396208584.db2.gz OBXPJAMODCWNIC-SNVBAGLBSA-N 1 0 321.341 0.534 10 5 DCBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177404931 396174635 /nfs/dbraw/zinc/17/46/35/396174635.db2.gz KMZMGHHKYSCBFE-CQSZACIVSA-N 1 0 311.338 0.571 10 5 DCBERO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000184731656 396303609 /nfs/dbraw/zinc/30/36/09/396303609.db2.gz JNFNXTGLMTUIKB-MNOVXSKESA-N 1 0 309.322 0.351 10 5 DCBERO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000611335032 396855317 /nfs/dbraw/zinc/85/53/17/396855317.db2.gz IWKMDNQORVHECK-UHFFFAOYSA-N 1 0 307.354 0.933 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000132434527 158310315 /nfs/dbraw/zinc/31/03/15/158310315.db2.gz JZHDLTLTQCNIAV-UHFFFAOYSA-N 1 0 322.365 0.732 10 5 DCBERO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC1C[NH2+]C1 ZINC000261943191 158756687 /nfs/dbraw/zinc/75/66/87/158756687.db2.gz NXRAMNALLOBZPG-UHFFFAOYSA-N 1 0 307.306 0.244 10 5 DCBERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095070668 415550012 /nfs/dbraw/zinc/55/00/12/415550012.db2.gz KNARCPJGBQTKOT-UHFFFAOYSA-N 1 0 300.340 0.362 10 5 DCBERO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181115701 416203657 /nfs/dbraw/zinc/20/36/57/416203657.db2.gz RPLWZFJIFBTICX-WFASDCNBSA-N 1 0 309.366 0.939 10 5 DCBERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000184715418 416253059 /nfs/dbraw/zinc/25/30/59/416253059.db2.gz RSUHKHOMLUHFTN-CHWSQXEVSA-N 1 0 309.322 0.351 10 5 DCBERO CNC(=O)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183666659 261116224 /nfs/dbraw/zinc/11/62/24/261116224.db2.gz DEVIXDAYTFRRHW-AWEZNQCLSA-N 1 0 322.365 0.918 10 5 DCBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261595638 661310167 /nfs/dbraw/zinc/31/01/67/661310167.db2.gz HUNGHOCWVCSOHX-PSASIEDQSA-N 1 0 314.367 0.286 10 5 DCBERO CN1CCO[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104791396 194039868 /nfs/dbraw/zinc/03/98/68/194039868.db2.gz JUAFFHRYIIYSHL-CQSZACIVSA-N 1 0 322.365 0.767 10 5 DCBERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342626 395740393 /nfs/dbraw/zinc/74/03/93/395740393.db2.gz ZUKGCKZMCZNKHE-SCZZXKLOSA-N 1 0 314.367 0.416 10 5 DCBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261750811 396062048 /nfs/dbraw/zinc/06/20/48/396062048.db2.gz FHCHKAQWZMBEGJ-QLHKPRNWSA-N 1 0 307.354 0.814 10 5 DCBERO NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089106041 158095988 /nfs/dbraw/zinc/09/59/88/158095988.db2.gz NGAKHXKXUCPLIX-PSASIEDQSA-N 1 0 314.367 0.782 10 5 DCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119593155 158189820 /nfs/dbraw/zinc/18/98/20/158189820.db2.gz ZPUQXZPETRYKHA-SNVBAGLBSA-N 1 0 311.342 0.169 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000237204871 158637220 /nfs/dbraw/zinc/63/72/20/158637220.db2.gz ZSRPTQFTNJTUHV-MRVPVSSYSA-N 1 0 303.340 0.571 10 5 DCBERO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000262424040 158811538 /nfs/dbraw/zinc/81/15/38/158811538.db2.gz CDAPOXAJADBABX-SECBINFHSA-N 1 0 317.367 0.880 10 5 DCBERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000095071472 415549727 /nfs/dbraw/zinc/54/97/27/415549727.db2.gz PWUOQBQLMHTYFS-VIFPVBQESA-N 1 0 300.340 0.362 10 5 DCBERO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@@H](C)O ZINC000176232467 416121970 /nfs/dbraw/zinc/12/19/70/416121970.db2.gz IDFKOFXABYQPQO-OLZOCXBDSA-N 1 0 311.386 0.568 10 5 DCBERO CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000537718700 416562543 /nfs/dbraw/zinc/56/25/43/416562543.db2.gz RTCHXTNNBZXDOE-LLVKDONJSA-N 1 0 313.358 0.000 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nn21 ZINC000373673088 416961649 /nfs/dbraw/zinc/96/16/49/416961649.db2.gz LCIFRWWGNUIJRX-MNOVXSKESA-N 1 0 318.337 0.913 10 5 DCBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000320028885 261177439 /nfs/dbraw/zinc/17/74/39/261177439.db2.gz BNSRHUQLVOOVBR-HTQZYQBOSA-N 1 0 302.356 0.780 10 5 DCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000302201716 274004716 /nfs/dbraw/zinc/00/47/16/274004716.db2.gz VKUVROWMCTXPFY-UONOGXRCSA-N 1 0 321.333 0.901 10 5 DCBERO C[NH+](C)C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000108951603 276807209 /nfs/dbraw/zinc/80/72/09/276807209.db2.gz SPJRWECWCFQMFQ-NSHDSACASA-N 1 0 308.338 0.461 10 5 DCBERO C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000124643800 524788738 /nfs/dbraw/zinc/78/87/38/524788738.db2.gz XMZTWIHYYZANNA-RYUDHWBXSA-N 1 0 322.365 0.698 10 5 DCBERO [NH3+][C@]1(CF)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000757067395 670347860 /nfs/dbraw/zinc/34/78/60/670347860.db2.gz BMYIGGBTQRBUHK-NSHDSACASA-N 1 0 303.315 0.656 10 5 DCBERO C[N@H+](CCO)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302028762 529920058 /nfs/dbraw/zinc/92/00/58/529920058.db2.gz JDOBBBUUTYDLKC-UHFFFAOYSA-N 1 0 320.353 0.530 10 5 DCBERO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000451926059 240731809 /nfs/dbraw/zinc/73/18/09/240731809.db2.gz HEWYETITCKCAKO-JTQLQIEISA-N 1 0 301.368 0.964 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254407 183895170 /nfs/dbraw/zinc/89/51/70/183895170.db2.gz CZIQTFPCJXWPAC-SECBINFHSA-N 1 0 315.351 0.634 10 5 DCBERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112548717 395818951 /nfs/dbraw/zinc/81/89/51/395818951.db2.gz FZOYWMBWVXPCOY-FZMZJTMJSA-N 1 0 322.365 0.842 10 5 DCBERO CS(=O)(=O)c1cc(C(=O)NCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000237417390 395912056 /nfs/dbraw/zinc/91/20/56/395912056.db2.gz JQIWTJSCGJGHQM-UHFFFAOYSA-N 1 0 301.324 0.077 10 5 DCBERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000132470241 395927461 /nfs/dbraw/zinc/92/74/61/395927461.db2.gz BHBIXVDKVOUEKM-DTWKUNHWSA-N 1 0 314.367 0.416 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246383487 395949034 /nfs/dbraw/zinc/94/90/34/395949034.db2.gz ZVLUAMRXWTWRRD-HUUCEWRRSA-N 1 0 309.366 0.891 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCNS(C)(=O)=O ZINC000184988560 396313167 /nfs/dbraw/zinc/31/31/67/396313167.db2.gz SZYHIMQKQLOOMU-UHFFFAOYSA-N 1 0 301.368 0.932 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095091934 415548077 /nfs/dbraw/zinc/54/80/77/415548077.db2.gz NDWNRBFPFGXMRE-VIFPVBQESA-N 1 0 300.340 0.410 10 5 DCBERO CC1(C)CN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 ZINC000170640459 416026653 /nfs/dbraw/zinc/02/66/53/416026653.db2.gz KWENBDZBPVVOHI-UHFFFAOYSA-N 1 0 323.353 0.611 10 5 DCBERO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000176232684 416122509 /nfs/dbraw/zinc/12/25/09/416122509.db2.gz JBTQAGGFWSHDJG-CYBMUJFWSA-N 1 0 311.386 0.834 10 5 DCBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]C[C@@H]2O)c(Br)c1 ZINC000420250038 262367841 /nfs/dbraw/zinc/36/78/41/262367841.db2.gz JLPCWJGNQNXKRL-MUWHJKNJSA-N 1 0 317.143 0.745 10 5 DCBERO C[NH2+]C[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000156658093 277285869 /nfs/dbraw/zinc/28/58/69/277285869.db2.gz JDFQADNQERETOT-SECBINFHSA-N 1 0 314.367 0.430 10 5 DCBERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725250 524901035 /nfs/dbraw/zinc/90/10/35/524901035.db2.gz VLVJYESECKYJRQ-GHMZBOCLSA-N 1 0 308.338 0.308 10 5 DCBERO Cn1cncc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998146 658440961 /nfs/dbraw/zinc/44/09/61/658440961.db2.gz TXVIIOQBTDSWQY-UONOGXRCSA-N 1 0 306.322 0.512 10 5 DCBERO O=C1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752215 199346951 /nfs/dbraw/zinc/34/69/51/199346951.db2.gz VBPBVEBRYNVHDJ-NSHDSACASA-N 1 0 309.322 0.156 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000116786665 395845467 /nfs/dbraw/zinc/84/54/67/395845467.db2.gz GGDSJBYPKSHAOE-ZDUSSCGKSA-N 1 0 307.350 0.926 10 5 DCBERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000109272341 395797070 /nfs/dbraw/zinc/79/70/70/395797070.db2.gz YJMVKPQFTCOHFP-LBPRGKRZSA-N 1 0 321.333 0.949 10 5 DCBERO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCOCC1 ZINC000246502931 395951589 /nfs/dbraw/zinc/95/15/89/395951589.db2.gz QAHROEBZXNFHNR-QWHCGFSZSA-N 1 0 309.370 0.444 10 5 DCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262146518 396104419 /nfs/dbraw/zinc/10/44/19/396104419.db2.gz HNOOKZZEICQXSC-QMTHXVAHSA-N 1 0 320.349 0.479 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261871291 396074475 /nfs/dbraw/zinc/07/44/75/396074475.db2.gz SYPRXDNKRBWACK-AWEZNQCLSA-N 1 0 323.349 0.974 10 5 DCBERO Cc1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000261937317 396081790 /nfs/dbraw/zinc/08/17/90/396081790.db2.gz UDRCHIZYHZRBAI-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184296686 396290258 /nfs/dbraw/zinc/29/02/58/396290258.db2.gz HOWXTQQPJANOQB-SNVBAGLBSA-N 1 0 323.353 0.413 10 5 DCBERO [NH3+]C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000599105250 397337560 /nfs/dbraw/zinc/33/75/60/397337560.db2.gz XRVJHJRHPRPQIU-UHFFFAOYSA-N 1 0 315.351 0.381 10 5 DCBERO C[N@@H+]1CCO[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000153152883 415976124 /nfs/dbraw/zinc/97/61/24/415976124.db2.gz KBVHEQWGNVPSAW-IUCAKERBSA-N 1 0 309.351 0.823 10 5 DCBERO C[N@@H+]1CCO[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000301968201 416097772 /nfs/dbraw/zinc/09/77/72/416097772.db2.gz PGUKZBMAZRRGRL-ZJUUUORDSA-N 1 0 304.310 0.157 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179211795 416184277 /nfs/dbraw/zinc/18/42/77/416184277.db2.gz WCAPGDSCSRSBCP-GFCCVEGCSA-N 1 0 318.337 0.685 10 5 DCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000152587919 664765380 /nfs/dbraw/zinc/76/53/80/664765380.db2.gz JMRZONKMQKYUKT-AWEZNQCLSA-N 1 0 322.413 0.851 10 5 DCBERO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000063178437 184276690 /nfs/dbraw/zinc/27/66/90/184276690.db2.gz GZDYTOINZADWTM-LLVKDONJSA-N 1 0 312.395 0.943 10 5 DCBERO C[C@@H]1C[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000161730307 533584333 /nfs/dbraw/zinc/58/43/33/533584333.db2.gz SLDSQCYQNOQQNG-NEPJUHHUSA-N 1 0 324.385 0.915 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248417895 395987410 /nfs/dbraw/zinc/98/74/10/395987410.db2.gz JXLMUNXLQBZKKQ-UWVGGRQHSA-N 1 0 305.338 0.881 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261825184 396070475 /nfs/dbraw/zinc/07/04/75/396070475.db2.gz WZZQVZXYPXGEGW-UHFFFAOYSA-N 1 0 320.349 0.028 10 5 DCBERO C[C@@H]([NH2+]C[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181115717 158482720 /nfs/dbraw/zinc/48/27/20/158482720.db2.gz RPLWZFJIFBTICX-DOMZBBRYSA-N 1 0 309.366 0.939 10 5 DCBERO CC[C@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132252949 287004544 /nfs/dbraw/zinc/00/45/44/287004544.db2.gz FDTVKUGNPWZHLI-AWEZNQCLSA-N 1 0 324.381 0.145 10 5 DCBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@H]3CC[NH2+]C3)cnc2c1 ZINC000095092272 415550159 /nfs/dbraw/zinc/55/01/59/415550159.db2.gz GQEGXMVVMZDZBU-VIFPVBQESA-N 1 0 322.346 0.921 10 5 DCBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285259422 415611076 /nfs/dbraw/zinc/61/10/76/415611076.db2.gz ZMEKNCQPCXTLNU-KBPBESRZSA-N 1 0 320.349 0.603 10 5 DCBERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174786653 416088254 /nfs/dbraw/zinc/08/82/54/416088254.db2.gz MQPQJAFHHUVSOC-JSGCOSHPSA-N 1 0 311.386 0.568 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000301968200 416097149 /nfs/dbraw/zinc/09/71/49/416097149.db2.gz PGUKZBMAZRRGRL-VHSXEESVSA-N 1 0 304.310 0.157 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)nn21 ZINC000450791497 417267478 /nfs/dbraw/zinc/26/74/78/417267478.db2.gz LZJNSGSHCMJISG-PHIMTYICSA-N 1 0 318.337 0.913 10 5 DCBERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845543 277179928 /nfs/dbraw/zinc/17/99/28/277179928.db2.gz CJKGCSVHRCXZRY-CHWSQXEVSA-N 1 0 320.349 0.722 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161441628 524685298 /nfs/dbraw/zinc/68/52/98/524685298.db2.gz HRRSTIDPGMCJSM-NWDGAFQWSA-N 1 0 322.369 0.669 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000161700416 526467183 /nfs/dbraw/zinc/46/71/83/526467183.db2.gz CYXYMBCQADNMJD-GFCCVEGCSA-N 1 0 322.369 0.671 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246966559 527088658 /nfs/dbraw/zinc/08/86/58/527088658.db2.gz FYKDYSFUBOORDP-PWSUYJOCSA-N 1 0 309.370 0.945 10 5 DCBERO Cn1cncc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998186 658440456 /nfs/dbraw/zinc/44/04/56/658440456.db2.gz TXVIIOQBTDSWQY-KGLIPLIRSA-N 1 0 306.322 0.512 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000221755066 664359793 /nfs/dbraw/zinc/35/97/93/664359793.db2.gz RBUBNGYMZBNWNF-MFKMUULPSA-N 1 0 311.363 0.967 10 5 DCBERO COCC[NH2+]CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000216060730 1179232687 /nfs/dbraw/zinc/23/26/87/1179232687.db2.gz NRAJYXQMYNGELL-UHFFFAOYSA-N 1 0 317.367 0.646 10 5 DCBERO CN(C)C(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159700553 291236132 /nfs/dbraw/zinc/23/61/32/291236132.db2.gz BEYUFXZTRUBAJB-UHFFFAOYSA-N 1 0 322.365 0.557 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000019997918 182175965 /nfs/dbraw/zinc/17/59/65/182175965.db2.gz JCPWYEUMSFGZTC-UHFFFAOYSA-N 1 0 315.351 0.715 10 5 DCBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262227580 396113016 /nfs/dbraw/zinc/11/30/16/396113016.db2.gz KAVOTGQBONJXRK-QPUJVOFHSA-N 1 0 311.363 0.627 10 5 DCBERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262314830 396122204 /nfs/dbraw/zinc/12/22/04/396122204.db2.gz QTKBDVOREUTMJF-PWSUYJOCSA-N 1 0 309.322 0.304 10 5 DCBERO CNS(=O)(=O)c1ccc(NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063171685 158031166 /nfs/dbraw/zinc/03/11/66/158031166.db2.gz UIVSVFRYEKPPIT-MRVPVSSYSA-N 1 0 302.356 0.652 10 5 DCBERO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000180534111 158479694 /nfs/dbraw/zinc/47/96/94/158479694.db2.gz NJVQZSBPNYNZOQ-UHFFFAOYSA-N 1 0 323.353 0.414 10 5 DCBERO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000095072523 415548838 /nfs/dbraw/zinc/54/88/38/415548838.db2.gz ZDPQODMYOVPPMF-SECBINFHSA-N 1 0 300.340 0.349 10 5 DCBERO Cn1cc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+](C)C)cn1 ZINC000301303733 416079770 /nfs/dbraw/zinc/07/97/70/416079770.db2.gz WWAAQCTZXMXWCT-VIFPVBQESA-N 1 0 306.330 0.415 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCN1CC2 ZINC000301757390 416089985 /nfs/dbraw/zinc/08/99/85/416089985.db2.gz DYPKXCFZMONRGC-GFCCVEGCSA-N 1 0 319.365 0.366 10 5 DCBERO CC[C@@H](O)C[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302029498 416098225 /nfs/dbraw/zinc/09/82/25/416098225.db2.gz JLFGHUPZEDXXSM-CYBMUJFWSA-N 1 0 309.366 0.980 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)nn21 ZINC000560400077 416851912 /nfs/dbraw/zinc/85/19/12/416851912.db2.gz AQYDNNMTTUGWSJ-SNVBAGLBSA-N 1 0 302.338 1.534 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285259430 277121436 /nfs/dbraw/zinc/12/14/36/277121436.db2.gz ZMEKNCQPCXTLNU-UONOGXRCSA-N 1 0 320.349 0.603 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000408226674 277125307 /nfs/dbraw/zinc/12/53/07/277125307.db2.gz OULWJRZIDAOTMT-QWHCGFSZSA-N 1 0 303.322 0.990 10 5 DCBERO C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000124643411 524900311 /nfs/dbraw/zinc/90/03/11/524900311.db2.gz XMZTWIHYYZANNA-NWDGAFQWSA-N 1 0 322.365 0.698 10 5 DCBERO C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000245442328 525418683 /nfs/dbraw/zinc/41/86/83/525418683.db2.gz HYEGXNPXWLKJGE-YRGRVCCFSA-N 1 0 311.386 0.567 10 5 DCBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000261629001 661333887 /nfs/dbraw/zinc/33/38/87/661333887.db2.gz BCCWJSDAGWDZAD-QMMMGPOBSA-N 1 0 303.340 0.490 10 5 DCBERO C[NH2+][C@H](C)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000261750405 661616214 /nfs/dbraw/zinc/61/62/14/661616214.db2.gz TWPNYIGHLJOPTF-SECBINFHSA-N 1 0 316.383 0.865 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(C1)C[NH2+]C[C@@H]2F ZINC000757067698 670347683 /nfs/dbraw/zinc/34/76/83/670347683.db2.gz ZHMBAKPZNSKSOD-NSHDSACASA-N 1 0 315.326 0.527 10 5 DCBERO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000172771594 198147807 /nfs/dbraw/zinc/14/78/07/198147807.db2.gz QBZHPSWNTDWCFA-UHFFFAOYSA-N 1 0 311.342 0.469 10 5 DCBERO CN(C[C@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483127 395725487 /nfs/dbraw/zinc/72/54/87/395725487.db2.gz KCWCBBSRHTZCOA-HNNXBMFYSA-N 1 0 308.382 0.639 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH3+] ZINC000037714709 395728344 /nfs/dbraw/zinc/72/83/44/395728344.db2.gz AUWQJTHSOMHMPM-UHFFFAOYSA-N 1 0 303.340 0.621 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195368764 395825478 /nfs/dbraw/zinc/82/54/78/395825478.db2.gz HABSWTXSOOBPAR-LBPRGKRZSA-N 1 0 320.349 0.453 10 5 DCBERO Cc1ncn(-c2ccc([N+](=O)[O-])cc2OC[C@H](O)CC[NH3+])n1 ZINC000113657271 395831706 /nfs/dbraw/zinc/83/17/06/395831706.db2.gz QXBZOFYKXMWVLQ-LLVKDONJSA-N 1 0 307.310 0.572 10 5 DCBERO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 ZINC000246388167 395948724 /nfs/dbraw/zinc/94/87/24/395948724.db2.gz IQBHSHZLJINZGM-GXTWGEPZSA-N 1 0 309.370 0.444 10 5 DCBERO CSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262107141 396099545 /nfs/dbraw/zinc/09/95/45/396099545.db2.gz FDSBGGZOXHJZOX-KOLCDFICSA-N 1 0 311.363 0.627 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116797865 158167666 /nfs/dbraw/zinc/16/76/66/158167666.db2.gz NYJNNDUZXNZOTM-LBPRGKRZSA-N 1 0 308.338 0.701 10 5 DCBERO CC[NH+]1CCC(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000359469264 416346923 /nfs/dbraw/zinc/34/69/23/416346923.db2.gz FYRYLFFVGUTIEQ-UHFFFAOYSA-N 1 0 310.358 0.425 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420219968 271367156 /nfs/dbraw/zinc/36/71/56/271367156.db2.gz RQODLFYLFFMTCO-MRVPVSSYSA-N 1 0 302.356 0.510 10 5 DCBERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095071457 277295022 /nfs/dbraw/zinc/29/50/22/277295022.db2.gz HYXOUHLGCVJCBR-SECBINFHSA-N 1 0 300.340 0.362 10 5 DCBERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261679193 289041106 /nfs/dbraw/zinc/04/11/06/289041106.db2.gz GMEUHHVWUWBBOF-VXNVDRBHSA-N 1 0 303.315 0.844 10 5 DCBERO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261679185 297716735 /nfs/dbraw/zinc/71/67/35/297716735.db2.gz GMEUHHVWUWBBOF-APPZFPTMSA-N 1 0 303.315 0.844 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000312870699 659616594 /nfs/dbraw/zinc/61/65/94/659616594.db2.gz SVTQQWBKOXEECP-MRVPVSSYSA-N 1 0 303.340 0.571 10 5 DCBERO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187678219 237354108 /nfs/dbraw/zinc/35/41/08/237354108.db2.gz PZBYNAHHGOPULC-ZDUSSCGKSA-N 1 0 309.366 0.972 10 5 DCBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159807148 291236532 /nfs/dbraw/zinc/23/65/32/291236532.db2.gz LJJCPFVBMAFAMQ-MNOVXSKESA-N 1 0 308.338 0.342 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000036754933 395724496 /nfs/dbraw/zinc/72/44/96/395724496.db2.gz YUHTVHSREZIXHL-UHFFFAOYSA-N 1 0 300.340 0.170 10 5 DCBERO CC[C@H]([NH3+])CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111304639 395806811 /nfs/dbraw/zinc/80/68/11/395806811.db2.gz UNGUWWBQCGQTTN-VIFPVBQESA-N 1 0 316.383 0.994 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195450840 395827987 /nfs/dbraw/zinc/82/79/87/395827987.db2.gz WBHMZLMMAAMPCT-NSHDSACASA-N 1 0 306.322 0.063 10 5 DCBERO CC(C)C[C@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249408155 396008014 /nfs/dbraw/zinc/00/80/14/396008014.db2.gz DPBNQCQUWSQGQC-DGCLKSJQSA-N 1 0 300.359 0.491 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261949105 396082644 /nfs/dbraw/zinc/08/26/44/396082644.db2.gz LIVFYUGCIAIAOF-FOSCPWQOSA-N 1 0 307.354 0.841 10 5 DCBERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187075275 396363142 /nfs/dbraw/zinc/36/31/42/396363142.db2.gz IDDNLWBEGMZYTE-CMPLNLGQSA-N 1 0 321.337 0.907 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000090554484 158103774 /nfs/dbraw/zinc/10/37/74/158103774.db2.gz PAUWMFVCZUPPBN-CYBMUJFWSA-N 1 0 306.366 0.927 10 5 DCBERO CNS(=O)(=O)c1ccc(N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261595639 158721370 /nfs/dbraw/zinc/72/13/70/158721370.db2.gz HUNGHOCWVCSOHX-WCBMZHEXSA-N 1 0 314.367 0.286 10 5 DCBERO CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1[NH3+] ZINC000261910534 158752295 /nfs/dbraw/zinc/75/22/95/158752295.db2.gz SVQKZJHTPADGBB-LLVKDONJSA-N 1 0 308.338 0.342 10 5 DCBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@H]3CC[NH2+]C3)cnc2c1 ZINC000095092261 415548293 /nfs/dbraw/zinc/54/82/93/415548293.db2.gz FDJKRTAJXYVIRT-VIFPVBQESA-N 1 0 308.319 0.674 10 5 DCBERO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000301231717 416078074 /nfs/dbraw/zinc/07/80/74/416078074.db2.gz JRDAIIGLJRJNRI-LLVKDONJSA-N 1 0 321.381 0.742 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCN1CC2 ZINC000301757396 416090461 /nfs/dbraw/zinc/09/04/61/416090461.db2.gz DYPKXCFZMONRGC-LBPRGKRZSA-N 1 0 319.365 0.366 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565796 416199380 /nfs/dbraw/zinc/19/93/80/416199380.db2.gz JXLMUNXLQBZKKQ-VHSXEESVSA-N 1 0 305.338 0.881 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nn21 ZINC000373673090 416961353 /nfs/dbraw/zinc/96/13/53/416961353.db2.gz LCIFRWWGNUIJRX-WDEREUQCSA-N 1 0 318.337 0.913 10 5 DCBERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000155345569 289201948 /nfs/dbraw/zinc/20/19/48/289201948.db2.gz MHCKUUTWVSQIOT-GFCCVEGCSA-N 1 0 322.365 0.796 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H](F)C2)cc1 ZINC000757067142 670347816 /nfs/dbraw/zinc/34/78/16/670347816.db2.gz KYZOLNBHWBRMMX-BDAKNGLRSA-N 1 0 303.315 0.573 10 5 DCBERO [NH3+][C@@]1(CF)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000757067390 670347876 /nfs/dbraw/zinc/34/78/76/670347876.db2.gz BMYIGGBTQRBUHK-LLVKDONJSA-N 1 0 303.315 0.656 10 5 DCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195045331 395814063 /nfs/dbraw/zinc/81/40/63/395814063.db2.gz UDJLGNYTCSCCIP-LBPRGKRZSA-N 1 0 307.354 0.878 10 5 DCBERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000262521416 396150116 /nfs/dbraw/zinc/15/01/16/396150116.db2.gz NWMRQUDXDCZAST-AAEUAGOBSA-N 1 0 322.365 0.544 10 5 DCBERO COc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000263145436 396202964 /nfs/dbraw/zinc/20/29/64/396202964.db2.gz CQUPCFKKVVHUQZ-PWSUYJOCSA-N 1 0 311.338 0.282 10 5 DCBERO [NH3+]CCCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599106535 397338253 /nfs/dbraw/zinc/33/82/53/397338253.db2.gz UWDIVMLAYJDURP-UHFFFAOYSA-N 1 0 303.340 0.239 10 5 DCBERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599107787 397339078 /nfs/dbraw/zinc/33/90/78/397339078.db2.gz NIDFROXMKVHTLK-UHFFFAOYSA-N 1 0 317.367 0.451 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116797863 158167597 /nfs/dbraw/zinc/16/75/97/158167597.db2.gz NYJNNDUZXNZOTM-GFCCVEGCSA-N 1 0 308.338 0.701 10 5 DCBERO Cc1nn(C)c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000408040139 160019795 /nfs/dbraw/zinc/01/97/95/160019795.db2.gz DISBGGWUKHZUPK-MNOVXSKESA-N 1 0 323.353 0.182 10 5 DCBERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095070608 415549028 /nfs/dbraw/zinc/54/90/28/415549028.db2.gz JRJOTWIDUFEROY-SECBINFHSA-N 1 0 300.340 0.362 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](CC2CC2)CC1 ZINC000298754762 416027234 /nfs/dbraw/zinc/02/72/34/416027234.db2.gz VHFQSRBYHLJHSD-UHFFFAOYSA-N 1 0 305.338 0.621 10 5 DCBERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174786642 416088049 /nfs/dbraw/zinc/08/80/49/416088049.db2.gz MQPQJAFHHUVSOC-OCCSQVGLSA-N 1 0 311.386 0.568 10 5 DCBERO COC(=O)c1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301679679 416088250 /nfs/dbraw/zinc/08/82/50/416088250.db2.gz ULQMLGOTJFNTBG-ZIAGYGMSSA-N 1 0 321.333 0.901 10 5 DCBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183614856 416246426 /nfs/dbraw/zinc/24/64/26/416246426.db2.gz LCNHVIJFKGIOAP-LLVKDONJSA-N 1 0 323.353 0.958 10 5 DCBERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000155725133 524567209 /nfs/dbraw/zinc/56/72/09/524567209.db2.gz VLVJYESECKYJRQ-QWRGUYRKSA-N 1 0 308.338 0.308 10 5 DCBERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000216021234 545938474 /nfs/dbraw/zinc/93/84/74/545938474.db2.gz CHQNTQOKKGZMEI-IUCAKERBSA-N 1 0 314.367 0.416 10 5 DCBERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000216021094 545938912 /nfs/dbraw/zinc/93/89/12/545938912.db2.gz CHQNTQOKKGZMEI-RKDXNWHRSA-N 1 0 314.367 0.416 10 5 DCBERO C[NH+](C)C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000108951600 282127961 /nfs/dbraw/zinc/12/79/61/282127961.db2.gz SPJRWECWCFQMFQ-LLVKDONJSA-N 1 0 308.338 0.461 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160547976 237085534 /nfs/dbraw/zinc/08/55/34/237085534.db2.gz GASOTBGNMQHTKT-ZDUSSCGKSA-N 1 0 322.365 0.875 10 5 DCBERO CC[NH2+]CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000038043405 395730843 /nfs/dbraw/zinc/73/08/43/395730843.db2.gz RLYUUGLETNDQMC-UHFFFAOYSA-N 1 0 302.356 0.654 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000116786814 395845595 /nfs/dbraw/zinc/84/55/95/395845595.db2.gz VQOYWDJXQOTDJT-GFCCVEGCSA-N 1 0 322.365 0.796 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000246951335 395961696 /nfs/dbraw/zinc/96/16/96/395961696.db2.gz DCMDILRDYSALND-RYUDHWBXSA-N 1 0 320.349 0.452 10 5 DCBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247077440 395965407 /nfs/dbraw/zinc/96/54/07/395965407.db2.gz ZAQVCTATILHJFE-RYUDHWBXSA-N 1 0 307.354 0.877 10 5 DCBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262156340 396104886 /nfs/dbraw/zinc/10/48/86/396104886.db2.gz IAHONCPXZFGTTF-GWCFXTLKSA-N 1 0 308.338 0.093 10 5 DCBERO Cc1nn(C)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1[N+](=O)[O-] ZINC000263154605 396203370 /nfs/dbraw/zinc/20/33/70/396203370.db2.gz DHIQBFAUJNRSBD-QMMMGPOBSA-N 1 0 307.314 0.263 10 5 DCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262307909 158794702 /nfs/dbraw/zinc/79/47/02/158794702.db2.gz QFLITEQCRXZVGC-BXKDBHETSA-N 1 0 313.741 0.487 10 5 DCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000095091864 415548797 /nfs/dbraw/zinc/54/87/97/415548797.db2.gz ILVPAOCWAQSYIX-SECBINFHSA-N 1 0 300.340 0.410 10 5 DCBERO CC[C@H](O)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000172819624 416050031 /nfs/dbraw/zinc/05/00/31/416050031.db2.gz YBVTZALSJNWTKO-LBPRGKRZSA-N 1 0 322.365 0.587 10 5 DCBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175045977 416095594 /nfs/dbraw/zinc/09/55/94/416095594.db2.gz ZAQVCTATILHJFE-NWDGAFQWSA-N 1 0 307.354 0.877 10 5 DCBERO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181115733 416203630 /nfs/dbraw/zinc/20/36/30/416203630.db2.gz RPLWZFJIFBTICX-SWLSCSKDSA-N 1 0 309.366 0.939 10 5 DCBERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000320028890 261177420 /nfs/dbraw/zinc/17/74/20/261177420.db2.gz BNSRHUQLVOOVBR-JGVFFNPUSA-N 1 0 302.356 0.780 10 5 DCBERO C[C@H]1C[N@@H+](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000157969098 524578187 /nfs/dbraw/zinc/57/81/87/524578187.db2.gz FJJUDSQAGGIQFO-ZDUSSCGKSA-N 1 0 323.397 0.976 10 5 DCBERO C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000124643651 525244418 /nfs/dbraw/zinc/24/44/18/525244418.db2.gz XMZTWIHYYZANNA-NEPJUHHUSA-N 1 0 322.365 0.698 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704812846 667259849 /nfs/dbraw/zinc/25/98/49/667259849.db2.gz DAODAZHRGCCETG-ZYHUDNBSSA-N 1 0 300.384 0.885 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(C1)C[NH2+]C[C@H]2F ZINC000757067696 670347827 /nfs/dbraw/zinc/34/78/27/670347827.db2.gz ZHMBAKPZNSKSOD-LLVKDONJSA-N 1 0 315.326 0.527 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000052093286 190681832 /nfs/dbraw/zinc/68/18/32/190681832.db2.gz OQFTWNOUBSNINE-QMMMGPOBSA-N 1 0 301.324 0.244 10 5 DCBERO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)ccc1Cl ZINC000052093282 190682293 /nfs/dbraw/zinc/68/22/93/190682293.db2.gz WUBCNYNCEDJPDB-ZETCQYMHSA-N 1 0 305.743 0.888 10 5 DCBERO O=C1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000073460346 191318410 /nfs/dbraw/zinc/31/84/10/191318410.db2.gz VHBGVDBOALZLTO-GFCCVEGCSA-N 1 0 309.322 0.156 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222515 395828744 /nfs/dbraw/zinc/82/87/44/395828744.db2.gz DUOOSYPMJMOITF-CMPLNLGQSA-N 1 0 307.354 0.795 10 5 DCBERO NS(=O)(=O)c1ccc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249535 395837926 /nfs/dbraw/zinc/83/79/26/395837926.db2.gz XAMNBMDDUFUNGU-MRVPVSSYSA-N 1 0 300.340 0.027 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000116786663 395845398 /nfs/dbraw/zinc/84/53/98/395845398.db2.gz GGDSJBYPKSHAOE-CYBMUJFWSA-N 1 0 307.350 0.926 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246975298 395962499 /nfs/dbraw/zinc/96/24/99/395962499.db2.gz DUOOSYPMJMOITF-PWSUYJOCSA-N 1 0 307.354 0.795 10 5 DCBERO COC[C@]1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCC[NH2+]1 ZINC000262422941 396138057 /nfs/dbraw/zinc/13/80/57/396138057.db2.gz FDWWWHDZXZHKGY-CYBMUJFWSA-N 1 0 309.326 0.269 10 5 DCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000176237532 396152179 /nfs/dbraw/zinc/15/21/79/396152179.db2.gz RWMCRWJGPQZUJY-GFCCVEGCSA-N 1 0 305.342 0.795 10 5 DCBERO [NH3+]CCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599110336 397340255 /nfs/dbraw/zinc/34/02/55/397340255.db2.gz REVJUQAHMSQDEX-UHFFFAOYSA-N 1 0 303.340 0.239 10 5 DCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000119593005 158188983 /nfs/dbraw/zinc/18/89/83/158188983.db2.gz ZPUQXZPETRYKHA-JTQLQIEISA-N 1 0 311.342 0.169 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028454 160016119 /nfs/dbraw/zinc/01/61/19/160016119.db2.gz DRKOTVYFMPKBEM-VXGBXAGGSA-N 1 0 320.349 0.452 10 5 DCBERO CCc1nn(C)c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408030649 160016587 /nfs/dbraw/zinc/01/65/87/160016587.db2.gz MLTQVAUSNWARAW-RYUDHWBXSA-N 1 0 309.370 0.800 10 5 DCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000069503876 415400864 /nfs/dbraw/zinc/40/08/64/415400864.db2.gz PSBBXAILXKPWML-LLVKDONJSA-N 1 0 311.342 0.018 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)nc1 ZINC000095091935 415547390 /nfs/dbraw/zinc/54/73/90/415547390.db2.gz NDWNRBFPFGXMRE-SECBINFHSA-N 1 0 300.340 0.410 10 5 DCBERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000448432317 417078063 /nfs/dbraw/zinc/07/80/63/417078063.db2.gz KTVMJAHEIMFLLQ-LBPRGKRZSA-N 1 0 324.385 0.671 10 5 DCBERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187896294 261124852 /nfs/dbraw/zinc/12/48/52/261124852.db2.gz QNMDNRMXALZWSO-KWCYVHTRSA-N 1 0 312.370 0.635 10 5 DCBERO CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000361383838 261919267 /nfs/dbraw/zinc/91/92/67/261919267.db2.gz HHGGUNNRAXBSQN-UHFFFAOYSA-N 1 0 310.358 0.425 10 5 DCBERO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362302420 262020818 /nfs/dbraw/zinc/02/08/18/262020818.db2.gz YHHIZZNLFVEKEK-NSHDSACASA-N 1 0 310.358 0.377 10 5 DCBERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095070595 277002326 /nfs/dbraw/zinc/00/23/26/277002326.db2.gz VVJBMKYXOCRBCP-VIFPVBQESA-N 1 0 300.340 0.362 10 5 DCBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000285259427 277129580 /nfs/dbraw/zinc/12/95/80/277129580.db2.gz ZMEKNCQPCXTLNU-KGLIPLIRSA-N 1 0 320.349 0.603 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H](F)C1 ZINC000757067505 670348197 /nfs/dbraw/zinc/34/81/97/670348197.db2.gz FJUQDAZZNGHYCJ-BDAKNGLRSA-N 1 0 303.315 0.573 10 5 DCBERO Cc1nn(C)c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000408040140 282255283 /nfs/dbraw/zinc/25/52/83/282255283.db2.gz DISBGGWUKHZUPK-QWRGUYRKSA-N 1 0 323.353 0.182 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C2CC2)CC1 ZINC000195305787 283367866 /nfs/dbraw/zinc/36/78/66/283367866.db2.gz AHOWULCYKHLRIT-UHFFFAOYSA-N 1 0 305.338 0.763 10 5 DCBERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548585 395818559 /nfs/dbraw/zinc/81/85/59/395818559.db2.gz ULPRPNOBXLWFMK-SMDDNHRTSA-N 1 0 322.365 0.842 10 5 DCBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000263178929 396205470 /nfs/dbraw/zinc/20/54/70/396205470.db2.gz GMHTXXGEJNAJRC-LLVKDONJSA-N 1 0 304.310 0.803 10 5 DCBERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000262521426 396150259 /nfs/dbraw/zinc/15/02/59/396150259.db2.gz NWMRQUDXDCZAST-YPMHNXCESA-N 1 0 322.365 0.544 10 5 DCBERO CNS(=O)(=O)c1ccc(N[C@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000596033184 396710398 /nfs/dbraw/zinc/71/03/98/396710398.db2.gz RKEGYSBXNUSXJH-MRVPVSSYSA-N 1 0 302.356 0.523 10 5 DCBERO C[C@H]1C[N@@H+](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CCO1 ZINC000136502714 158342420 /nfs/dbraw/zinc/34/24/20/158342420.db2.gz UJFCNASFEWLNFP-JTQLQIEISA-N 1 0 323.353 0.643 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186524662 416255705 /nfs/dbraw/zinc/25/57/05/416255705.db2.gz UCYMOQVNOJDZLQ-LLVKDONJSA-N 1 0 320.349 0.500 10 5 DCBERO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000189397545 261132024 /nfs/dbraw/zinc/13/20/24/261132024.db2.gz CUSPJTQBJSUNPJ-JTQLQIEISA-N 1 0 308.338 0.197 10 5 DCBERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095072459 279648800 /nfs/dbraw/zinc/64/88/00/279648800.db2.gz AHSOMVRCVXVHJC-SECBINFHSA-N 1 0 300.340 0.492 10 5 DCBERO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187705878 534474462 /nfs/dbraw/zinc/47/44/62/534474462.db2.gz LNERDGPYEUZYIP-LLVKDONJSA-N 1 0 322.365 0.192 10 5 DCBERO Cn1cncc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000176998160 658440386 /nfs/dbraw/zinc/44/03/86/658440386.db2.gz TXVIIOQBTDSWQY-ZIAGYGMSSA-N 1 0 306.322 0.512 10 5 DCBERO C[NH2+]CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000036298066 182814222 /nfs/dbraw/zinc/81/42/22/182814222.db2.gz OMTQNADNUHMZBA-UHFFFAOYSA-N 1 0 303.340 0.491 10 5 DCBERO CC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000054266181 183932046 /nfs/dbraw/zinc/93/20/46/183932046.db2.gz FKQCORKWWVOEOK-UHFFFAOYSA-N 1 0 303.340 0.491 10 5 DCBERO C[N@H+]1C[C@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193612603 395773643 /nfs/dbraw/zinc/77/36/43/395773643.db2.gz KZVPOPDMUSUXJU-GUTXKFCHSA-N 1 0 321.377 0.828 10 5 DCBERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548589 395818988 /nfs/dbraw/zinc/81/89/88/395818988.db2.gz ULPRPNOBXLWFMK-FZMZJTMJSA-N 1 0 322.365 0.842 10 5 DCBERO O=C1NC[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272913 395946013 /nfs/dbraw/zinc/94/60/13/395946013.db2.gz MOAAUIIEQLGWOI-STQMWFEESA-N 1 0 306.322 0.338 10 5 DCBERO COc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000261931293 396080876 /nfs/dbraw/zinc/08/08/76/396080876.db2.gz WFLQZKVEKVBBRO-UHFFFAOYSA-N 1 0 309.322 0.728 10 5 DCBERO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000185313978 396325286 /nfs/dbraw/zinc/32/52/86/396325286.db2.gz DPBNQCQUWSQGQC-AAEUAGOBSA-N 1 0 300.359 0.491 10 5 DCBERO Cc1nn(C)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000408040141 397344703 /nfs/dbraw/zinc/34/47/03/397344703.db2.gz DISBGGWUKHZUPK-WDEREUQCSA-N 1 0 323.353 0.182 10 5 DCBERO Cn1c(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021466 160013772 /nfs/dbraw/zinc/01/37/72/160013772.db2.gz IDDQHSUVEQURAH-NEPJUHHUSA-N 1 0 308.338 0.478 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000408093010 160034148 /nfs/dbraw/zinc/03/41/48/160034148.db2.gz MTRPRXGHYHAHKQ-KGLIPLIRSA-N 1 0 321.333 0.846 10 5 DCBERO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000042591106 415212742 /nfs/dbraw/zinc/21/27/42/415212742.db2.gz UTFIAWPTYBTWNU-UHFFFAOYSA-N 1 0 321.381 0.666 10 5 DCBERO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000184715444 416252721 /nfs/dbraw/zinc/25/27/21/416252721.db2.gz RSUHKHOMLUHFTN-OLZOCXBDSA-N 1 0 309.322 0.351 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000261631629 416335598 /nfs/dbraw/zinc/33/55/98/416335598.db2.gz CBENFXRLTNSYPB-UHFFFAOYSA-N 1 0 322.365 0.467 10 5 DCBERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362251794 262015618 /nfs/dbraw/zinc/01/56/18/262015618.db2.gz TWMPYJRFXOUJIQ-NSHDSACASA-N 1 0 310.358 0.377 10 5 DCBERO O=C1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000181752197 199347496 /nfs/dbraw/zinc/34/74/96/199347496.db2.gz VBPBVEBRYNVHDJ-LLVKDONJSA-N 1 0 309.322 0.156 10 5 DCBERO CN1CCO[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000104791399 194039960 /nfs/dbraw/zinc/03/99/60/194039960.db2.gz JUAFFHRYIIYSHL-AWEZNQCLSA-N 1 0 322.365 0.767 10 5 DCBERO NS(=O)(=O)c1ccc(NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000054267827 395896718 /nfs/dbraw/zinc/89/67/18/395896718.db2.gz QIFZQGKVACTOKR-UHFFFAOYSA-N 1 0 300.340 0.406 10 5 DCBERO O=C1NC[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000246272904 395946161 /nfs/dbraw/zinc/94/61/61/395946161.db2.gz MOAAUIIEQLGWOI-QWHCGFSZSA-N 1 0 306.322 0.338 10 5 DCBERO C[NH+](C)C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000246383512 395949140 /nfs/dbraw/zinc/94/91/40/395949140.db2.gz ZVLUAMRXWTWRRD-LSDHHAIUSA-N 1 0 309.366 0.891 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310224 396112343 /nfs/dbraw/zinc/11/23/43/396112343.db2.gz SXYRXYZXDKCRCO-SNVBAGLBSA-N 1 0 315.351 0.586 10 5 DCBERO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193230511 158581642 /nfs/dbraw/zinc/58/16/42/158581642.db2.gz SOEDOIZZCGNSPW-MRVPVSSYSA-N 1 0 303.315 0.764 10 5 DCBERO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261619579 158723294 /nfs/dbraw/zinc/72/32/94/158723294.db2.gz APRCBVVMUBJWPO-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO Cc1[nH]nc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000408231663 160064983 /nfs/dbraw/zinc/06/49/83/160064983.db2.gz JKIZSBWQKWKFAX-SNVBAGLBSA-N 1 0 309.326 0.173 10 5 DCBERO C[C@@H](CCC[NH3+])Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000336844496 415833301 /nfs/dbraw/zinc/83/33/01/415833301.db2.gz ZRQHLQPZUKMZAC-QMMMGPOBSA-N 1 0 302.356 0.782 10 5 DCBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175037722 416094150 /nfs/dbraw/zinc/09/41/50/416094150.db2.gz IBJMULKHHCXYTK-NFAWXSAZSA-N 1 0 323.397 0.711 10 5 DCBERO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCOCC1 ZINC000177224585 416142098 /nfs/dbraw/zinc/14/20/98/416142098.db2.gz QAHROEBZXNFHNR-OLZOCXBDSA-N 1 0 309.370 0.444 10 5 DCBERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000320028892 261177375 /nfs/dbraw/zinc/17/73/75/261177375.db2.gz BNSRHUQLVOOVBR-SFYZADRCSA-N 1 0 302.356 0.780 10 5 DCBERO Cn1cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1 ZINC000132083025 527301893 /nfs/dbraw/zinc/30/18/93/527301893.db2.gz DISFJMHMJIBCRP-GFCCVEGCSA-N 1 0 317.349 0.980 10 5 DCBERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124716092 668123308 /nfs/dbraw/zinc/12/33/08/668123308.db2.gz YMKDEUXZEATFPX-QMMMGPOBSA-N 1 0 303.315 0.846 10 5 DCBERO CNS(=O)(=O)c1ccc(N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000156865212 291226419 /nfs/dbraw/zinc/22/64/19/291226419.db2.gz HSWPDSRASLCCRD-UHFFFAOYSA-N 1 0 302.356 0.288 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000020003629 182176500 /nfs/dbraw/zinc/17/65/00/182176500.db2.gz NKFGNABYWXONIB-UHFFFAOYSA-N 1 0 315.351 0.634 10 5 DCBERO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262107138 396099610 /nfs/dbraw/zinc/09/96/10/396099610.db2.gz FDSBGGZOXHJZOX-GXSJLCMTSA-N 1 0 311.363 0.627 10 5 DCBERO CN1CC[NH2+]C[C@H]1c1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000263199790 396206015 /nfs/dbraw/zinc/20/60/15/396206015.db2.gz IWOZFBULGGRYLH-JTQLQIEISA-N 1 0 322.300 0.942 10 5 DCBERO C[NH+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000264042608 396251278 /nfs/dbraw/zinc/25/12/78/396251278.db2.gz WDEARDFFEUQPJT-SECBINFHSA-N 1 0 314.367 0.383 10 5 DCBERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187075255 396362989 /nfs/dbraw/zinc/36/29/89/396362989.db2.gz IDDNLWBEGMZYTE-PWSUYJOCSA-N 1 0 321.337 0.907 10 5 DCBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246764573 287087784 /nfs/dbraw/zinc/08/77/84/287087784.db2.gz QDYWLTJQVJYYFO-WCQYABFASA-N 1 0 324.385 0.819 10 5 DCBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246764555 287087889 /nfs/dbraw/zinc/08/78/89/287087889.db2.gz QDYWLTJQVJYYFO-DGCLKSJQSA-N 1 0 324.385 0.819 10 5 DCBERO C[N@@H+]1CCO[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000301651949 416089010 /nfs/dbraw/zinc/08/90/10/416089010.db2.gz KBVHEQWGNVPSAW-BDAKNGLRSA-N 1 0 309.351 0.823 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000193950450 416321033 /nfs/dbraw/zinc/32/10/33/416321033.db2.gz KIFUWBUSZZYORB-NSHDSACASA-N 1 0 323.353 0.347 10 5 DCBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459696554 272005500 /nfs/dbraw/zinc/00/55/00/272005500.db2.gz LNHMOPHIFUIMRF-CYBMUJFWSA-N 1 0 321.337 0.736 10 5 DCBERO C[NH2+][C@@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261668336 277292719 /nfs/dbraw/zinc/29/27/19/277292719.db2.gz GNAZDRFIHJWWKN-VIFPVBQESA-N 1 0 309.322 0.633 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCCOCC1 ZINC000188498196 527035105 /nfs/dbraw/zinc/03/51/05/527035105.db2.gz ZPVAPETXGXFGTK-UHFFFAOYSA-N 1 0 309.326 0.223 10 5 DCBERO Nc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160310830 657565901 /nfs/dbraw/zinc/56/59/01/657565901.db2.gz ULCFQWSAMCHCTR-LBPRGKRZSA-N 1 0 322.365 0.754 10 5 DCBERO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000725373351 685320269 /nfs/dbraw/zinc/32/02/69/685320269.db2.gz URVASWWWASUXOC-GXFFZTMASA-N 1 0 311.363 0.825 10 5 DCBERO CC[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181560866 199317944 /nfs/dbraw/zinc/31/79/44/199317944.db2.gz NHHBTWPQMAYFIU-CYBMUJFWSA-N 1 0 320.349 0.594 10 5 DCBERO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187678201 237353786 /nfs/dbraw/zinc/35/37/86/237353786.db2.gz PZBYNAHHGOPULC-CYBMUJFWSA-N 1 0 309.366 0.972 10 5 DCBERO O=[N+]([O-])c1ccc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2nonc21 ZINC000261859685 285130288 /nfs/dbraw/zinc/13/02/88/285130288.db2.gz KFVVUZRBPTVFCD-JTQLQIEISA-N 1 0 318.337 0.615 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195049823 395814459 /nfs/dbraw/zinc/81/44/59/395814459.db2.gz NZPQRMDFGMGWPM-GFCCVEGCSA-N 1 0 307.354 0.796 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237585752 395915828 /nfs/dbraw/zinc/91/58/28/395915828.db2.gz YFJNQUFEEKYUFE-UHFFFAOYSA-N 1 0 307.354 0.323 10 5 DCBERO CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C[C@H](C)O ZINC000246159975 395942958 /nfs/dbraw/zinc/94/29/58/395942958.db2.gz IDFKOFXABYQPQO-QWHCGFSZSA-N 1 0 311.386 0.568 10 5 DCBERO C[NH+](C)C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000137050820 395949600 /nfs/dbraw/zinc/94/96/00/395949600.db2.gz ZVLUAMRXWTWRRD-GJZGRUSLSA-N 1 0 309.366 0.891 10 5 DCBERO [NH3+]CCN(CCc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261673321 396054535 /nfs/dbraw/zinc/05/45/35/396054535.db2.gz GRZDLJHRSXNPFH-UHFFFAOYSA-N 1 0 317.349 0.821 10 5 DCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262388056 396134377 /nfs/dbraw/zinc/13/43/77/396134377.db2.gz XREXWPNGAIIAHZ-GXSJLCMTSA-N 1 0 305.290 0.651 10 5 DCBERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000263254356 396209183 /nfs/dbraw/zinc/20/91/83/396209183.db2.gz QHVWTMXNJZEICJ-SNVBAGLBSA-N 1 0 304.310 0.803 10 5 DCBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262566932 396156293 /nfs/dbraw/zinc/15/62/93/396156293.db2.gz YDXDFKWGKYTFBD-KGLIPLIRSA-N 1 0 307.350 0.757 10 5 DCBERO COC(=O)c1cc(C)nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000587390439 396671081 /nfs/dbraw/zinc/67/10/81/396671081.db2.gz UEKYDPXTCPEXOY-UWVGGRQHSA-N 1 0 306.322 0.740 10 5 DCBERO Cn1c(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021468 160014065 /nfs/dbraw/zinc/01/40/65/160014065.db2.gz IDDQHSUVEQURAH-RYUDHWBXSA-N 1 0 308.338 0.478 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028451 160015843 /nfs/dbraw/zinc/01/58/43/160015843.db2.gz DRKOTVYFMPKBEM-RYUDHWBXSA-N 1 0 320.349 0.452 10 5 DCBERO CCOCC[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000176232640 416122690 /nfs/dbraw/zinc/12/26/90/416122690.db2.gz PBJOSFYXNYSDPJ-ZDUSSCGKSA-N 1 0 311.386 0.834 10 5 DCBERO CC[C@H](CO)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183597114 416246732 /nfs/dbraw/zinc/24/67/32/416246732.db2.gz UJJKYGGOHSDVGS-LLVKDONJSA-N 1 0 323.353 0.910 10 5 DCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434446591 416479635 /nfs/dbraw/zinc/47/96/35/416479635.db2.gz VDRJQQQQHUGCAB-NSHDSACASA-N 1 0 308.342 0.319 10 5 DCBERO C[NH+](C)CCc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000438570667 287373691 /nfs/dbraw/zinc/37/36/91/287373691.db2.gz JIBTVABIVPQQDZ-UHFFFAOYSA-N 1 0 318.337 0.929 10 5 DCBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)c(Cl)c1 ZINC000459696666 272005676 /nfs/dbraw/zinc/00/56/76/272005676.db2.gz MATZXLPQUDEZRW-NSHDSACASA-N 1 0 311.729 0.990 10 5 DCBERO Cc1nn(C)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000247024449 279188345 /nfs/dbraw/zinc/18/83/45/279188345.db2.gz GDUFZCCEJGVKAA-MWLCHTKSSA-N 1 0 307.354 0.945 10 5 DCBERO COC[C@H](O)C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000558058371 288436522 /nfs/dbraw/zinc/43/65/22/288436522.db2.gz ZYKQHUGGGHRTKX-LLVKDONJSA-N 1 0 314.338 0.751 10 5 DCBERO C[NH2+][C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000261628999 661333904 /nfs/dbraw/zinc/33/39/04/661333904.db2.gz BCCWJSDAGWDZAD-MRVPVSSYSA-N 1 0 303.340 0.490 10 5 DCBERO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261679188 661390758 /nfs/dbraw/zinc/39/07/58/661390758.db2.gz GMEUHHVWUWBBOF-CBAPKCEASA-N 1 0 303.315 0.844 10 5 DCBERO CN(C)S(=O)(=O)c1ccc(NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289398 395718594 /nfs/dbraw/zinc/71/85/94/395718594.db2.gz ZSJTVXDXOIFCOR-UHFFFAOYSA-N 1 0 300.340 0.229 10 5 DCBERO CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483126 395725132 /nfs/dbraw/zinc/72/51/32/395725132.db2.gz KCWCBBSRHTZCOA-OAHLLOKOSA-N 1 0 308.382 0.639 10 5 DCBERO CNS(=O)(=O)c1ccc(N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000382993830 397277012 /nfs/dbraw/zinc/27/70/12/397277012.db2.gz GSPFBEMJVPWHRN-QMMMGPOBSA-N 1 0 302.356 0.286 10 5 DCBERO [NH3+]CC1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000599101391 397336892 /nfs/dbraw/zinc/33/68/92/397336892.db2.gz DFXYXNTWTFUNGU-UHFFFAOYSA-N 1 0 315.351 0.381 10 5 DCBERO Cn1c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408021467 160013585 /nfs/dbraw/zinc/01/35/85/160013585.db2.gz IDDQHSUVEQURAH-NWDGAFQWSA-N 1 0 308.338 0.478 10 5 DCBERO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000245408285 287068736 /nfs/dbraw/zinc/06/87/36/287068736.db2.gz GMPOJGCGGKWPQF-QWHCGFSZSA-N 1 0 311.386 0.568 10 5 DCBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097106845 415585587 /nfs/dbraw/zinc/58/55/87/415585587.db2.gz OOACTAIQSZCLFL-SNVBAGLBSA-N 1 0 308.338 0.887 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000173792607 416066138 /nfs/dbraw/zinc/06/61/38/416066138.db2.gz VUGKYVUBUAOINJ-CQSZACIVSA-N 1 0 307.350 0.926 10 5 DCBERO C[N@@H+]1CCO[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000301651950 416089172 /nfs/dbraw/zinc/08/91/72/416089172.db2.gz KBVHEQWGNVPSAW-RKDXNWHRSA-N 1 0 309.351 0.823 10 5 DCBERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000320028894 261177020 /nfs/dbraw/zinc/17/70/20/261177020.db2.gz BNSRHUQLVOOVBR-YUMQZZPRSA-N 1 0 302.356 0.780 10 5 DCBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000128400869 524107119 /nfs/dbraw/zinc/10/71/19/524107119.db2.gz NEIHOIBPQRWRSK-GFCCVEGCSA-N 1 0 324.385 0.965 10 5 DCBERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000261687902 661400668 /nfs/dbraw/zinc/40/06/68/661400668.db2.gz IDNNLODOICQILZ-QMMMGPOBSA-N 1 0 303.340 0.490 10 5 DCBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000172613081 198123668 /nfs/dbraw/zinc/12/36/68/198123668.db2.gz RUMNKNFFVCEBLX-YPMHNXCESA-N 1 0 309.370 0.980 10 5 DCBERO COCCNc1ncnc(N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040656990 183114824 /nfs/dbraw/zinc/11/48/24/183114824.db2.gz GQODVYGDPHDKDB-UHFFFAOYSA-N 1 0 324.385 0.974 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063170827 184275567 /nfs/dbraw/zinc/27/55/67/184275567.db2.gz VBJRXTZCCLNXMR-MRVPVSSYSA-N 1 0 303.340 0.619 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000116798221 395846393 /nfs/dbraw/zinc/84/63/93/395846393.db2.gz DOWNLRGREXOHPP-LLVKDONJSA-N 1 0 308.338 0.580 10 5 DCBERO C[NH2+][C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000133113680 395928520 /nfs/dbraw/zinc/92/85/20/395928520.db2.gz UAIYZWPGOLVPOI-MRVPVSSYSA-N 1 0 300.340 0.040 10 5 DCBERO CC(C)[N@H+]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000151362947 395984230 /nfs/dbraw/zinc/98/42/30/395984230.db2.gz QDYWLTJQVJYYFO-AAEUAGOBSA-N 1 0 324.385 0.819 10 5 DCBERO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261781888 396064960 /nfs/dbraw/zinc/06/49/60/396064960.db2.gz RVSKXCXTNRDPGD-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO COC(=O)c1cc(NC(=O)C2([NH3+])CCOCC2)cc([N+](=O)[O-])c1 ZINC000261941063 396081656 /nfs/dbraw/zinc/08/16/56/396081656.db2.gz XMYAQQBLYFMSRC-UHFFFAOYSA-N 1 0 323.305 0.828 10 5 DCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000176231904 396152103 /nfs/dbraw/zinc/15/21/03/396152103.db2.gz SOJLZSOYDBSTIM-UHFFFAOYSA-N 1 0 317.353 0.794 10 5 DCBERO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000263930499 396243164 /nfs/dbraw/zinc/24/31/64/396243164.db2.gz UQUGZAVWMGNBLQ-JTQLQIEISA-N 1 0 322.369 0.137 10 5 DCBERO CNS(=O)(=O)c1ccc(N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000382993829 397277097 /nfs/dbraw/zinc/27/70/97/397277097.db2.gz GSPFBEMJVPWHRN-MRVPVSSYSA-N 1 0 302.356 0.286 10 5 DCBERO CCc1[nH]nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000608867054 397758338 /nfs/dbraw/zinc/75/83/38/397758338.db2.gz OZWAMGDHKOWHTP-UHFFFAOYSA-N 1 0 321.341 0.891 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000133160408 158317156 /nfs/dbraw/zinc/31/71/56/158317156.db2.gz INXXMGOPIPCUGD-JTQLQIEISA-N 1 0 315.351 0.619 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186524645 158532144 /nfs/dbraw/zinc/53/21/44/158532144.db2.gz UCYMOQVNOJDZLQ-NSHDSACASA-N 1 0 320.349 0.500 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262088344 158771149 /nfs/dbraw/zinc/77/11/49/158771149.db2.gz RISHHBJDQLIHQN-GFCCVEGCSA-N 1 0 319.365 0.418 10 5 DCBERO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262274614 158791789 /nfs/dbraw/zinc/79/17/89/158791789.db2.gz NILKEBTYXIKUDJ-JQWIXIFHSA-N 1 0 309.322 0.060 10 5 DCBERO O=[N+]([O-])c1ccc2nc(S(=O)(=O)C[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000095092271 415547736 /nfs/dbraw/zinc/54/77/36/415547736.db2.gz GQEGXMVVMZDZBU-SECBINFHSA-N 1 0 322.346 0.921 10 5 DCBERO CCCN(CC[NH+](CC)CC)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000359472208 416347674 /nfs/dbraw/zinc/34/76/74/416347674.db2.gz XAZZUPZIEDRJSP-UHFFFAOYSA-N 1 0 312.374 0.767 10 5 DCBERO Nc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000160060180 527427633 /nfs/dbraw/zinc/42/76/33/527427633.db2.gz SKMMOOKXCRRNPL-NSHDSACASA-N 1 0 322.365 0.754 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C)C ZINC000012141056 395687101 /nfs/dbraw/zinc/68/71/01/395687101.db2.gz BCEAYQIGFZCSHL-UHFFFAOYSA-N 1 0 303.340 0.443 10 5 DCBERO NS(=O)(=O)c1ccc(NCCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000036269423 395722889 /nfs/dbraw/zinc/72/28/89/395722889.db2.gz QMITZABGWGHHAM-UHFFFAOYSA-N 1 0 314.367 0.796 10 5 DCBERO CN(C)S(=O)(=O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037365575 395726193 /nfs/dbraw/zinc/72/61/93/395726193.db2.gz BEVOOQKRSLXNNY-UHFFFAOYSA-N 1 0 302.356 0.606 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450837 395827799 /nfs/dbraw/zinc/82/77/99/395827799.db2.gz WBHMZLMMAAMPCT-LLVKDONJSA-N 1 0 306.322 0.063 10 5 DCBERO COc1cccc(N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000262071691 396096095 /nfs/dbraw/zinc/09/60/95/396096095.db2.gz GDNHPKRRNVYXLB-UHFFFAOYSA-N 1 0 308.338 0.471 10 5 DCBERO NC(=O)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000178638992 396202144 /nfs/dbraw/zinc/20/21/44/396202144.db2.gz HKMZQOZDNDXZBN-CYBMUJFWSA-N 1 0 304.350 0.974 10 5 DCBERO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000263145439 396203059 /nfs/dbraw/zinc/20/30/59/396203059.db2.gz CQUPCFKKVVHUQZ-ZYHUDNBSSA-N 1 0 311.338 0.282 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367460294 296532362 /nfs/dbraw/zinc/53/23/62/296532362.db2.gz ZOVWOJCTULXCPJ-SWLSCSKDSA-N 1 0 320.349 0.403 10 5 DCBERO Cc1nn(C)c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1[N+](=O)[O-] ZINC000186546788 396351661 /nfs/dbraw/zinc/35/16/61/396351661.db2.gz SJWYAJSKQYQRMF-JTQLQIEISA-N 1 0 307.354 0.993 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000408028448 160015935 /nfs/dbraw/zinc/01/59/35/160015935.db2.gz DRKOTVYFMPKBEM-NEPJUHHUSA-N 1 0 320.349 0.452 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)nc1 ZINC000095091939 415550179 /nfs/dbraw/zinc/55/01/79/415550179.db2.gz NLXXBDMRTZVNLQ-VIFPVBQESA-N 1 0 300.340 0.268 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000174765518 416086334 /nfs/dbraw/zinc/08/63/34/416086334.db2.gz SDNXDQIRWIEMIL-CYBMUJFWSA-N 1 0 320.353 0.755 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301661157 416087709 /nfs/dbraw/zinc/08/77/09/416087709.db2.gz MQBKACWLTFXNFW-KBPBESRZSA-N 1 0 320.349 0.474 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000193950464 416320919 /nfs/dbraw/zinc/32/09/19/416320919.db2.gz KIFUWBUSZZYORB-LLVKDONJSA-N 1 0 323.353 0.347 10 5 DCBERO [NH3+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193229372 670255477 /nfs/dbraw/zinc/25/54/77/670255477.db2.gz KMURVXBVDNXCSI-UHFFFAOYSA-N 1 0 310.335 0.770 10 5 DCBERO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716731198 670271638 /nfs/dbraw/zinc/27/16/38/670271638.db2.gz ZUMMZEOXCFMQCZ-MRVPVSSYSA-N 1 0 301.730 0.901 10 5 DCBERO C[NH+](C)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273510088 282201325 /nfs/dbraw/zinc/20/13/25/282201325.db2.gz ULHTWTAJJIEBHF-SECBINFHSA-N 1 0 314.367 0.383 10 5 DCBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549234 185302288 /nfs/dbraw/zinc/30/22/88/185302288.db2.gz KNGZGFVLBGCNGX-QWHCGFSZSA-N 1 0 306.366 0.925 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549233 185302491 /nfs/dbraw/zinc/30/24/91/185302491.db2.gz KNGZGFVLBGCNGX-CHWSQXEVSA-N 1 0 306.366 0.925 10 5 DCBERO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261750338 290791482 /nfs/dbraw/zinc/79/14/82/290791482.db2.gz TUQZIWTYLGGVJG-PSASIEDQSA-N 1 0 314.367 0.429 10 5 DCBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159807313 291236368 /nfs/dbraw/zinc/23/63/68/291236368.db2.gz LJJCPFVBMAFAMQ-QWRGUYRKSA-N 1 0 308.338 0.342 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000044514644 395756777 /nfs/dbraw/zinc/75/67/77/395756777.db2.gz MMVGYFNPUBPSLW-UHFFFAOYSA-N 1 0 314.367 0.417 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000116790395 395846370 /nfs/dbraw/zinc/84/63/70/395846370.db2.gz XVZKTDKPLAOCEG-AWEZNQCLSA-N 1 0 307.350 0.926 10 5 DCBERO CC[N@@H+]1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151289127 395982935 /nfs/dbraw/zinc/98/29/35/395982935.db2.gz HVFHBBKUOSDQSA-NSHDSACASA-N 1 0 310.358 0.575 10 5 DCBERO COc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000261822214 396069568 /nfs/dbraw/zinc/06/95/68/396069568.db2.gz AUMLDRZNGJHWNQ-UHFFFAOYSA-N 1 0 308.338 0.471 10 5 DCBERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000263178931 396205391 /nfs/dbraw/zinc/20/53/91/396205391.db2.gz GMHTXXGEJNAJRC-NSHDSACASA-N 1 0 304.310 0.803 10 5 DCBERO O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H](O)C[C@@H]3CO)n2)cc1 ZINC000179172954 396222954 /nfs/dbraw/zinc/22/29/54/396222954.db2.gz GIUMLKHABZQZAD-NEPJUHHUSA-N 1 0 320.305 0.572 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179183121 396224027 /nfs/dbraw/zinc/22/40/27/396224027.db2.gz OPSUUFBWIYYJNA-CHWSQXEVSA-N 1 0 323.349 0.659 10 5 DCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000590456408 396784362 /nfs/dbraw/zinc/78/43/62/396784362.db2.gz NWRJXJNWSYAUAW-AWEZNQCLSA-N 1 0 307.354 0.979 10 5 DCBERO Cn1cnc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000407964645 397339022 /nfs/dbraw/zinc/33/90/22/397339022.db2.gz UCWBOKTZSZDRHW-CYBMUJFWSA-N 1 0 322.413 0.935 10 5 DCBERO NS(=O)(=O)c1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133170877 158316794 /nfs/dbraw/zinc/31/67/94/158316794.db2.gz CGFHUDKTOBFSLQ-VIFPVBQESA-N 1 0 300.340 0.391 10 5 DCBERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249579661 287114821 /nfs/dbraw/zinc/11/48/21/287114821.db2.gz QNMDNRMXALZWSO-BNOWGMLFSA-N 1 0 312.370 0.635 10 5 DCBERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249579662 287114832 /nfs/dbraw/zinc/11/48/32/287114832.db2.gz QNMDNRMXALZWSO-MRVWCRGKSA-N 1 0 312.370 0.635 10 5 DCBERO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301198848 416077346 /nfs/dbraw/zinc/07/73/46/416077346.db2.gz PEFIYMDYYKZSHU-NSHDSACASA-N 1 0 321.381 0.742 10 5 DCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CCOC)n1 ZINC000191771282 416289023 /nfs/dbraw/zinc/28/90/23/416289023.db2.gz OKTYZAKWHCYLAT-UHFFFAOYSA-N 1 0 313.358 0.509 10 5 DCBERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000448432316 417077769 /nfs/dbraw/zinc/07/77/69/417077769.db2.gz KTVMJAHEIMFLLQ-GFCCVEGCSA-N 1 0 324.385 0.671 10 5 DCBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420250793 262367824 /nfs/dbraw/zinc/36/78/24/262367824.db2.gz ZTWJRNBEWWONBE-IMTBSYHQSA-N 1 0 317.143 0.745 10 5 DCBERO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187709613 237356688 /nfs/dbraw/zinc/35/66/88/237356688.db2.gz HTUUIRCMCDTBIO-ZDUSSCGKSA-N 1 0 309.366 0.972 10 5 DCBERO O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000261911768 285140887 /nfs/dbraw/zinc/14/08/87/285140887.db2.gz QJLCEYGKRXHROZ-LBPRGKRZSA-N 1 0 316.365 0.955 10 5 DCBERO C[N@H+]1C[C@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193620575 395774610 /nfs/dbraw/zinc/77/46/10/395774610.db2.gz OUXXJHITYREQGO-HZSPNIEDSA-N 1 0 321.377 0.828 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000247194257 395968785 /nfs/dbraw/zinc/96/87/85/395968785.db2.gz SZEMZKUGDZMWAY-YPMHNXCESA-N 1 0 321.341 0.081 10 5 DCBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262156342 396104985 /nfs/dbraw/zinc/10/49/85/396104985.db2.gz IAHONCPXZFGTTF-GXFFZTMASA-N 1 0 308.338 0.093 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397241 396113389 /nfs/dbraw/zinc/11/33/89/396113389.db2.gz MDVJEOHJAMZKNY-VIFPVBQESA-N 1 0 315.351 0.634 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261872376 396074440 /nfs/dbraw/zinc/07/44/40/396074440.db2.gz SNCAZGKYKRXTBO-TXEJJXNPSA-N 1 0 307.354 0.558 10 5 DCBERO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263254433 396209056 /nfs/dbraw/zinc/20/90/56/396209056.db2.gz QJSAIFYTTIVBBC-ONGXEEELSA-N 1 0 317.292 0.866 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263297386 396212161 /nfs/dbraw/zinc/21/21/61/396212161.db2.gz WNOZTTAKQOKWAE-LLVKDONJSA-N 1 0 304.310 0.924 10 5 DCBERO C[NH+](C)CCn1cc(NC(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000611598244 396894813 /nfs/dbraw/zinc/89/48/13/396894813.db2.gz ACTKXHVEDOTWCJ-UHFFFAOYSA-N 1 0 319.325 0.814 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447826 158048150 /nfs/dbraw/zinc/04/81/50/158048150.db2.gz FZQLNFROUDIAFT-SNVBAGLBSA-N 1 0 316.383 0.898 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000087384024 158092085 /nfs/dbraw/zinc/09/20/85/158092085.db2.gz PGXPHUACEVLKDE-SNVBAGLBSA-N 1 0 315.351 0.619 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261602319 158721134 /nfs/dbraw/zinc/72/11/34/158721134.db2.gz BYPJCDJKSQDBGX-SCZZXKLOSA-N 1 0 315.351 0.714 10 5 DCBERO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000261900562 158751928 /nfs/dbraw/zinc/75/19/28/158751928.db2.gz AEVTVSACCMQUIL-BXKDBHETSA-N 1 0 311.363 0.383 10 5 DCBERO Cn1c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000408021469 160014039 /nfs/dbraw/zinc/01/40/39/160014039.db2.gz IDDQHSUVEQURAH-VXGBXAGGSA-N 1 0 308.338 0.478 10 5 DCBERO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000284845547 415602236 /nfs/dbraw/zinc/60/22/36/415602236.db2.gz CJKGCSVHRCXZRY-QWHCGFSZSA-N 1 0 320.349 0.722 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000173588108 416061663 /nfs/dbraw/zinc/06/16/63/416061663.db2.gz GYBUBOSRLRWTNJ-CQSZACIVSA-N 1 0 309.370 0.322 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000173792619 416066277 /nfs/dbraw/zinc/06/62/77/416066277.db2.gz VUGKYVUBUAOINJ-AWEZNQCLSA-N 1 0 307.350 0.926 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000174765512 416085563 /nfs/dbraw/zinc/08/55/63/416085563.db2.gz SDNXDQIRWIEMIL-ZDUSSCGKSA-N 1 0 320.353 0.755 10 5 DCBERO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420257792 262367884 /nfs/dbraw/zinc/36/78/84/262367884.db2.gz WYCXDTWRUSMQSO-RCOVLWMOSA-N 1 0 317.143 0.166 10 5 DCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000176239683 280376851 /nfs/dbraw/zinc/37/68/51/280376851.db2.gz UDPVTNKHWGVARW-AWEZNQCLSA-N 1 0 323.397 0.978 10 5 DCBERO COCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000131816398 523853512 /nfs/dbraw/zinc/85/35/12/523853512.db2.gz JFRCQCUPMUDUIB-ZDUSSCGKSA-N 1 0 324.381 0.409 10 5 DCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000161909585 526468217 /nfs/dbraw/zinc/46/82/17/526468217.db2.gz UMCLEBWIDNUWID-LBPRGKRZSA-N 1 0 320.353 0.447 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246562 658171015 /nfs/dbraw/zinc/17/10/15/658171015.db2.gz FEQINWKWFVTMJC-SECBINFHSA-N 1 0 315.351 0.573 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC23C[NH2+]C3)cc1 ZINC000757067131 670348097 /nfs/dbraw/zinc/34/80/97/670348097.db2.gz JQZAVVMCRWLJFB-JTQLQIEISA-N 1 0 311.363 0.873 10 5 DCBERO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000725374131 685320560 /nfs/dbraw/zinc/32/05/60/685320560.db2.gz HGKUUTYOESABIA-GXFFZTMASA-N 1 0 311.363 0.825 10 5 DCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000174848551 198393208 /nfs/dbraw/zinc/39/32/08/198393208.db2.gz QDOARRKJZCHMPT-UHFFFAOYSA-N 1 0 317.353 0.794 10 5 DCBERO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095071562 193416651 /nfs/dbraw/zinc/41/66/51/193416651.db2.gz UDIGXXLOZVQXGN-UHFFFAOYSA-N 1 0 300.340 0.362 10 5 DCBERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000109272337 395797136 /nfs/dbraw/zinc/79/71/36/395797136.db2.gz YJMVKPQFTCOHFP-GFCCVEGCSA-N 1 0 321.333 0.949 10 5 DCBERO [NH3+]C1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000261863977 396073722 /nfs/dbraw/zinc/07/37/22/396073722.db2.gz NKTSCPPATIJYET-UHFFFAOYSA-N 1 0 308.338 0.631 10 5 DCBERO CN(CC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000594693651 396497633 /nfs/dbraw/zinc/49/76/33/396497633.db2.gz RBAZSUVEKKMMRQ-UHFFFAOYSA-N 1 0 302.356 0.416 10 5 DCBERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000183354532 286625982 /nfs/dbraw/zinc/62/59/82/286625982.db2.gz YBNWQJANDFTEIZ-VXGBXAGGSA-N 1 0 316.383 0.737 10 5 DCBERO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000184342302 261118545 /nfs/dbraw/zinc/11/85/45/261118545.db2.gz FLVGAGNKZWONMS-UHFFFAOYSA-N 1 0 323.396 0.249 10 5 DCBERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000216021186 545938972 /nfs/dbraw/zinc/93/89/72/545938972.db2.gz CHQNTQOKKGZMEI-BDAKNGLRSA-N 1 0 314.367 0.416 10 5 DCBERO C[NH+](C)[C@H]1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000170843180 665329154 /nfs/dbraw/zinc/32/91/54/665329154.db2.gz PSVRQZMTYRROEH-JTQLQIEISA-N 1 0 318.333 0.784 10 5 DCBERO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCOCC1 ZINC000265039747 204360464 /nfs/dbraw/zinc/36/04/64/204360464.db2.gz JRHSIPSARIATII-UHFFFAOYSA-N 1 0 323.353 0.611 10 5 DCBERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112548588 395819002 /nfs/dbraw/zinc/81/90/02/395819002.db2.gz ULPRPNOBXLWFMK-BXUZGUMPSA-N 1 0 322.365 0.842 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222513 395828177 /nfs/dbraw/zinc/82/81/77/395828177.db2.gz DUOOSYPMJMOITF-JQWIXIFHSA-N 1 0 307.354 0.795 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245590549 395932517 /nfs/dbraw/zinc/93/25/17/395932517.db2.gz PAUWMFVCZUPPBN-ZDUSSCGKSA-N 1 0 306.366 0.927 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136145201 395945102 /nfs/dbraw/zinc/94/51/02/395945102.db2.gz MVRIFUBIQXRNGF-UHFFFAOYSA-N 1 0 322.365 0.875 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261820184 396069655 /nfs/dbraw/zinc/06/96/55/396069655.db2.gz WLTJMNMCFVQFFQ-UHFFFAOYSA-N 1 0 324.312 0.238 10 5 DCBERO Cc1nn(C)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1[N+](=O)[O-] ZINC000263154603 396203670 /nfs/dbraw/zinc/20/36/70/396203670.db2.gz DHIQBFAUJNRSBD-MRVPVSSYSA-N 1 0 307.314 0.263 10 5 DCBERO C[C@@H](C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111302793 286942221 /nfs/dbraw/zinc/94/22/21/286942221.db2.gz PDULXWGVXXEQKS-QMMMGPOBSA-N 1 0 302.356 0.604 10 5 DCBERO CCOCC[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245408085 287068790 /nfs/dbraw/zinc/06/87/90/287068790.db2.gz FOEOWJMBZQXRIK-CYBMUJFWSA-N 1 0 311.386 0.834 10 5 DCBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nn21 ZINC000560400076 416849634 /nfs/dbraw/zinc/84/96/34/416849634.db2.gz AQYDNNMTTUGWSJ-JTQLQIEISA-N 1 0 302.338 1.534 10 5 DCBERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000362651625 262056240 /nfs/dbraw/zinc/05/62/40/262056240.db2.gz HRZFTZFTMJZYBA-NSHDSACASA-N 1 0 310.358 0.280 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261615847 658228396 /nfs/dbraw/zinc/22/83/96/658228396.db2.gz ABCLJPRFUMXLLS-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO [NH3+][C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261815857 661722013 /nfs/dbraw/zinc/72/20/13/661722013.db2.gz PCIZSGMVXVSELJ-CQSZACIVSA-N 1 0 322.365 0.877 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261602321 396048296 /nfs/dbraw/zinc/04/82/96/396048296.db2.gz BYPJCDJKSQDBGX-WPRPVWTQSA-N 1 0 315.351 0.714 10 5 DCBERO [NH3+]C1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000261695339 396056911 /nfs/dbraw/zinc/05/69/11/396056911.db2.gz DJQCBQDIAOAUJT-UHFFFAOYSA-N 1 0 308.338 0.631 10 5 DCBERO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249408157 396008088 /nfs/dbraw/zinc/00/80/88/396008088.db2.gz DPBNQCQUWSQGQC-WCQYABFASA-N 1 0 300.359 0.491 10 5 DCBERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262056003 396094689 /nfs/dbraw/zinc/09/46/89/396094689.db2.gz AMNGDXYMCXGXGV-GWCFXTLKSA-N 1 0 307.350 0.569 10 5 DCBERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599106651 397337708 /nfs/dbraw/zinc/33/77/08/397337708.db2.gz FSSZJBJDSRUPJN-UHFFFAOYSA-N 1 0 317.367 0.451 10 5 DCBERO CNS(=O)(=O)c1ccc(NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063171684 158030899 /nfs/dbraw/zinc/03/08/99/158030899.db2.gz UIVSVFRYEKPPIT-QMMMGPOBSA-N 1 0 302.356 0.652 10 5 DCBERO NS(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000166868784 158367180 /nfs/dbraw/zinc/36/71/80/158367180.db2.gz DXXNCSQYMRDIAF-SECBINFHSA-N 1 0 314.367 0.796 10 5 DCBERO CNS(=O)(=O)c1ccc(NC[C@@H](C)[NH2+]C)c([N+](=O)[O-])c1 ZINC000261802770 158741087 /nfs/dbraw/zinc/74/10/87/158741087.db2.gz RLNOFGSZQNPOMU-MRVPVSSYSA-N 1 0 302.356 0.523 10 5 DCBERO [NH3+]CC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000095072701 415548099 /nfs/dbraw/zinc/54/80/99/415548099.db2.gz IDIWALARKJCKDC-UHFFFAOYSA-N 1 0 300.340 0.349 10 5 DCBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(Br)c1 ZINC000420250040 262367601 /nfs/dbraw/zinc/36/76/01/262367601.db2.gz JLPCWJGNQNXKRL-RCOVLWMOSA-N 1 0 317.143 0.745 10 5 DCBERO Cc1nn(C)c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1[N+](=O)[O-] ZINC000186546809 293696860 /nfs/dbraw/zinc/69/68/60/293696860.db2.gz SJWYAJSKQYQRMF-SNVBAGLBSA-N 1 0 307.354 0.993 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261638610 661338635 /nfs/dbraw/zinc/33/86/35/661338635.db2.gz CZZJNKCPSLYNPP-UHFFFAOYSA-N 1 0 324.312 0.238 10 5 DCBERO [NH3+][C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000261815856 661722026 /nfs/dbraw/zinc/72/20/26/661722026.db2.gz PCIZSGMVXVSELJ-AWEZNQCLSA-N 1 0 322.365 0.877 10 5 DCBERO NS(=O)(=O)c1ccc(N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000044531673 664353868 /nfs/dbraw/zinc/35/38/68/664353868.db2.gz XLFYEPKPPVQEHL-SECBINFHSA-N 1 0 314.367 0.417 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCC12C[NH2+]C2 ZINC000757067519 670347937 /nfs/dbraw/zinc/34/79/37/670347937.db2.gz XVONHLVDKLAFSD-SNVBAGLBSA-N 1 0 311.363 0.873 10 5 DCBERO CCS(=O)(=O)NCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000131422936 1177521463 /nfs/dbraw/zinc/52/14/63/1177521463.db2.gz HAYPYXOHUPYAQQ-UHFFFAOYSA-N 1 0 301.368 0.932 10 5 DCBERO CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000195447369 395827299 /nfs/dbraw/zinc/82/72/99/395827299.db2.gz OTKOMVPGCQUOEB-NSHDSACASA-N 1 0 308.338 0.357 10 5 DCBERO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000152531262 396012149 /nfs/dbraw/zinc/01/21/49/396012149.db2.gz RGBCTZOCEHWQRY-UHFFFAOYSA-N 1 0 310.354 0.996 10 5 DCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000262146511 396104230 /nfs/dbraw/zinc/10/42/30/396104230.db2.gz HNOOKZZEICQXSC-HZMBPMFUSA-N 1 0 320.349 0.479 10 5 DCBERO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]C[C@H]1O ZINC000262156345 396104959 /nfs/dbraw/zinc/10/49/59/396104959.db2.gz IAHONCPXZFGTTF-ZWNOBZJWSA-N 1 0 308.338 0.093 10 5 DCBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262227582 396113073 /nfs/dbraw/zinc/11/30/73/396113073.db2.gz KAVOTGQBONJXRK-UFBFGSQYSA-N 1 0 311.363 0.627 10 5 DCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262307910 396121585 /nfs/dbraw/zinc/12/15/85/396121585.db2.gz QFLITEQCRXZVGC-CABZTGNLSA-N 1 0 313.741 0.487 10 5 DCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184296709 396290449 /nfs/dbraw/zinc/29/04/49/396290449.db2.gz HOWXTQQPJANOQB-JTQLQIEISA-N 1 0 323.353 0.413 10 5 DCBERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000610808416 396766258 /nfs/dbraw/zinc/76/62/58/396766258.db2.gz JVHUNQZULBBAPM-CYBMUJFWSA-N 1 0 319.365 0.733 10 5 DCBERO CC(C)[C@@H]([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000070447937 158048188 /nfs/dbraw/zinc/04/81/88/158048188.db2.gz MFUVNKVHIDOQBQ-VIFPVBQESA-N 1 0 302.356 0.637 10 5 DCBERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183475 160054392 /nfs/dbraw/zinc/05/43/92/160054392.db2.gz RKCFETYPNRXLEL-QWRGUYRKSA-N 1 0 308.342 0.272 10 5 DCBERO Cc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285623739 415614401 /nfs/dbraw/zinc/61/44/01/415614401.db2.gz DPIOVDNPRGHCKY-VHSXEESVSA-N 1 0 309.326 0.171 10 5 DCBERO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000446427550 416927713 /nfs/dbraw/zinc/92/77/13/416927713.db2.gz GQQSPROGPAAMBS-UHFFFAOYSA-N 1 0 322.325 0.370 10 5 DCBERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729079 529097034 /nfs/dbraw/zinc/09/70/34/529097034.db2.gz MQPQJAFHHUVSOC-GXTWGEPZSA-N 1 0 311.386 0.568 10 5 DCBERO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000095072515 283506265 /nfs/dbraw/zinc/50/62/65/283506265.db2.gz GSIHOJGRKAPHBY-SECBINFHSA-N 1 0 300.340 0.349 10 5 DCBERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095070609 193416022 /nfs/dbraw/zinc/41/60/22/193416022.db2.gz JRJOTWIDUFEROY-VIFPVBQESA-N 1 0 300.340 0.362 10 5 DCBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H](N4CC[NH2+]CC4)C3)nc2c1 ZINC000261810601 285140876 /nfs/dbraw/zinc/14/08/76/285140876.db2.gz GJDRLZLRSMKEJF-LBPRGKRZSA-N 1 0 316.365 0.955 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000038031223 395730736 /nfs/dbraw/zinc/73/07/36/395730736.db2.gz IKOXGYXKSPEJMP-UHFFFAOYSA-N 1 0 312.351 0.160 10 5 DCBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 ZINC000246388174 395949051 /nfs/dbraw/zinc/94/90/51/395949051.db2.gz IQBHSHZLJINZGM-TZMCWYRMSA-N 1 0 309.370 0.444 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000262560676 396155695 /nfs/dbraw/zinc/15/56/95/396155695.db2.gz VJDBBZYWBKCQRN-UHFFFAOYSA-N 1 0 310.329 0.598 10 5 DCBERO C[NH+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000264042611 396251540 /nfs/dbraw/zinc/25/15/40/396251540.db2.gz WDEARDFFEUQPJT-VIFPVBQESA-N 1 0 314.367 0.383 10 5 DCBERO CC(C)(C(=O)N1CC[NH+]2CCC1CC2)n1cc([N+](=O)[O-])cn1 ZINC000408277121 160074304 /nfs/dbraw/zinc/07/43/04/160074304.db2.gz OFHPVZCJICVCHD-UHFFFAOYSA-N 1 0 307.354 0.833 10 5 DCBERO C[C@@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000131812039 287002020 /nfs/dbraw/zinc/00/20/20/287002020.db2.gz XSZBMBYTCPHEBN-CHWSQXEVSA-N 1 0 324.381 0.143 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCC[NH+]1CCOCC1 ZINC000048286229 415285680 /nfs/dbraw/zinc/28/56/80/415285680.db2.gz BZQQNHXURQOJQH-UHFFFAOYSA-N 1 0 311.342 0.020 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000173365659 416057443 /nfs/dbraw/zinc/05/74/43/416057443.db2.gz SZEMZKUGDZMWAY-AAEUAGOBSA-N 1 0 321.341 0.081 10 5 DCBERO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301198845 416077279 /nfs/dbraw/zinc/07/72/79/416077279.db2.gz PEFIYMDYYKZSHU-LLVKDONJSA-N 1 0 321.381 0.742 10 5 DCBERO CCOc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358051279 416179160 /nfs/dbraw/zinc/17/91/60/416179160.db2.gz BPTYIIQOPCCZNK-OAHLLOKOSA-N 1 0 323.349 0.790 10 5 DCBERO C[NH+](C)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264015840 416339156 /nfs/dbraw/zinc/33/91/56/416339156.db2.gz MPRAUUQUQMXGPM-SECBINFHSA-N 1 0 314.367 0.383 10 5 DCBERO CCOC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC12COC2 ZINC000451144853 417305873 /nfs/dbraw/zinc/30/58/73/417305873.db2.gz YKKJYGGRTPGULO-LLVKDONJSA-N 1 0 324.337 0.303 10 5 DCBERO C[C@@H]1C[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000161730045 533891360 /nfs/dbraw/zinc/89/13/60/533891360.db2.gz SLDSQCYQNOQQNG-VXGBXAGGSA-N 1 0 324.385 0.915 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000116798223 521881924 /nfs/dbraw/zinc/88/19/24/521881924.db2.gz DOWNLRGREXOHPP-NSHDSACASA-N 1 0 308.338 0.580 10 5 DCBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]CC2=CCCOC2)cc1 ZINC000127353311 527378422 /nfs/dbraw/zinc/37/84/22/527378422.db2.gz ZCVKLESHBRFTGS-GJZGRUSLSA-N 1 0 308.334 0.925 10 5 DCBERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095072468 193416547 /nfs/dbraw/zinc/41/65/47/193416547.db2.gz SYAYNHSTMUHWQL-VIFPVBQESA-N 1 0 300.340 0.492 10 5 DCBERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548745 395818919 /nfs/dbraw/zinc/81/89/19/395818919.db2.gz CVCYHFSAGPAUMO-NWDGAFQWSA-N 1 0 322.365 0.842 10 5 DCBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151728126 395991537 /nfs/dbraw/zinc/99/15/37/395991537.db2.gz GXAREAWKRHXKMW-LBPRGKRZSA-N 1 0 324.385 0.917 10 5 DCBERO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000079920586 396272706 /nfs/dbraw/zinc/27/27/06/396272706.db2.gz AHNFSXWGBMICMN-CQSZACIVSA-N 1 0 311.338 0.910 10 5 DCBERO COCC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC[NH2+]CC1 ZINC000261925887 158754003 /nfs/dbraw/zinc/75/40/03/158754003.db2.gz SFURHDQGLXSPLJ-UHFFFAOYSA-N 1 0 323.353 0.517 10 5 DCBERO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C[NH3+])C1 ZINC000262417641 158811603 /nfs/dbraw/zinc/81/16/03/158811603.db2.gz RIEWVLOLJWTPAQ-GHMZBOCLSA-N 1 0 308.338 0.755 10 5 DCBERO CC[C@@H](O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132253147 287004656 /nfs/dbraw/zinc/00/46/56/287004656.db2.gz FDTVKUGNPWZHLI-CQSZACIVSA-N 1 0 324.381 0.145 10 5 DCBERO CC[C@H](CO)[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302069274 416098240 /nfs/dbraw/zinc/09/82/40/416098240.db2.gz VCMBKUCTYUGYNX-CYBMUJFWSA-N 1 0 309.366 0.980 10 5 DCBERO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1 ZINC000176739220 416133763 /nfs/dbraw/zinc/13/37/63/416133763.db2.gz BBNGHKNVFKOMBG-JTQLQIEISA-N 1 0 308.338 0.580 10 5 DCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434446590 416478688 /nfs/dbraw/zinc/47/86/88/416478688.db2.gz VDRJQQQQHUGCAB-LLVKDONJSA-N 1 0 308.342 0.319 10 5 DCBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247053060 519693548 /nfs/dbraw/zinc/69/35/48/519693548.db2.gz IJJFSQLVZKRJBR-DGCLKSJQSA-N 1 0 322.365 0.601 10 5 DCBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000229606302 525552403 /nfs/dbraw/zinc/55/24/03/525552403.db2.gz YUEAQVIKIORMSM-WCBMZHEXSA-N 1 0 314.367 0.795 10 5 DCBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]CC2=CCCOC2)cc1 ZINC000127352869 527378581 /nfs/dbraw/zinc/37/85/81/527378581.db2.gz ZCVKLESHBRFTGS-CABCVRRESA-N 1 0 308.334 0.925 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000704812843 667260249 /nfs/dbraw/zinc/26/02/49/667260249.db2.gz DAODAZHRGCCETG-CMPLNLGQSA-N 1 0 300.384 0.885 10 5 DCBERO CC[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181560847 199317556 /nfs/dbraw/zinc/31/75/56/199317556.db2.gz NHHBTWPQMAYFIU-ZDUSSCGKSA-N 1 0 320.349 0.594 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000021021004 182261622 /nfs/dbraw/zinc/26/16/22/182261622.db2.gz KQNQEINBDSTEHO-VIFPVBQESA-N 1 0 315.351 0.715 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093285 395859340 /nfs/dbraw/zinc/85/93/40/395859340.db2.gz OQFTWNOUBSNINE-MRVPVSSYSA-N 1 0 301.324 0.244 10 5 DCBERO NS(=O)(=O)c1ccc(N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050249536 395838184 /nfs/dbraw/zinc/83/81/84/395838184.db2.gz XAMNBMDDUFUNGU-QMMMGPOBSA-N 1 0 300.340 0.027 10 5 DCBERO C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000116795726 395846193 /nfs/dbraw/zinc/84/61/93/395846193.db2.gz MXPMWCOIVQFWOL-CQSZACIVSA-N 1 0 323.349 0.763 10 5 DCBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261640274 396051505 /nfs/dbraw/zinc/05/15/05/396051505.db2.gz KWNIVVADJJAMCE-QLHKPRNWSA-N 1 0 307.354 0.814 10 5 DCBERO CN(C)S(=O)(=O)c1ccc(N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000156865366 396062610 /nfs/dbraw/zinc/06/26/10/396062610.db2.gz CDVPHDPFEYOXSQ-UHFFFAOYSA-N 1 0 316.383 0.630 10 5 DCBERO C[NH2+]C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000071148105 396110055 /nfs/dbraw/zinc/11/00/55/396110055.db2.gz UHKIQZOHYYPORU-VIFPVBQESA-N 1 0 314.367 0.288 10 5 DCBERO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262314823 396122334 /nfs/dbraw/zinc/12/23/34/396122334.db2.gz QTKBDVOREUTMJF-CMPLNLGQSA-N 1 0 309.322 0.304 10 5 DCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186511494 396351492 /nfs/dbraw/zinc/35/14/92/396351492.db2.gz YFIMUDFPZXBAHQ-LLVKDONJSA-N 1 0 307.354 0.924 10 5 DCBERO CCc1[nH]nc(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000189617701 396396984 /nfs/dbraw/zinc/39/69/84/396396984.db2.gz GGCKRFUNKDPUHA-SECBINFHSA-N 1 0 311.342 0.019 10 5 DCBERO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599105202 397337583 /nfs/dbraw/zinc/33/75/83/397337583.db2.gz WJGYHMPQXCHZLB-UHFFFAOYSA-N 1 0 315.351 0.381 10 5 DCBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459690961 272004394 /nfs/dbraw/zinc/00/43/94/272004394.db2.gz FPLJBBGDFNPMCN-MASHWEEQSA-N 1 0 303.322 0.850 10 5 DCBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000156151322 527379239 /nfs/dbraw/zinc/37/92/39/527379239.db2.gz RKIIJQBCNWMUCJ-GJZGRUSLSA-N 1 0 322.317 0.864 10 5 DCBERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261679190 661390798 /nfs/dbraw/zinc/39/07/98/661390798.db2.gz GMEUHHVWUWBBOF-IONNQARKSA-N 1 0 303.315 0.844 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCC12C[NH2+]C2 ZINC000757067517 670348153 /nfs/dbraw/zinc/34/81/53/670348153.db2.gz XVONHLVDKLAFSD-JTQLQIEISA-N 1 0 311.363 0.873 10 5 DCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCC2)CC1 ZINC000264915415 204264247 /nfs/dbraw/zinc/26/42/47/204264247.db2.gz GKTOKZHDXKQVLK-UHFFFAOYSA-N 1 0 305.338 0.763 10 5 DCBERO C[NH2+]C(C)(C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000271734262 209167939 /nfs/dbraw/zinc/16/79/39/209167939.db2.gz NZFOKGQKRFQSLW-UHFFFAOYSA-N 1 0 302.356 0.652 10 5 DCBERO O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2nonc21 ZINC000261859687 285128476 /nfs/dbraw/zinc/12/84/76/285128476.db2.gz KFVVUZRBPTVFCD-SNVBAGLBSA-N 1 0 318.337 0.615 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000194772942 395807603 /nfs/dbraw/zinc/80/76/03/395807603.db2.gz HJGHUIJOIIKEBY-UHFFFAOYSA-N 1 0 306.366 0.880 10 5 DCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195368754 395825383 /nfs/dbraw/zinc/82/53/83/395825383.db2.gz HABSWTXSOOBPAR-GFCCVEGCSA-N 1 0 320.349 0.453 10 5 DCBERO CS(=O)(=O)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889613 395848612 /nfs/dbraw/zinc/84/86/12/395848612.db2.gz BTZMBMNDRCTQAK-LBPRGKRZSA-N 1 0 313.379 0.761 10 5 DCBERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000116977942 395849414 /nfs/dbraw/zinc/84/94/14/395849414.db2.gz BZIDUEZBVUZDOY-LLVKDONJSA-N 1 0 322.365 0.888 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153124349 396021591 /nfs/dbraw/zinc/02/15/91/396021591.db2.gz MQBKACWLTFXNFW-UONOGXRCSA-N 1 0 320.349 0.474 10 5 DCBERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000170845426 396098728 /nfs/dbraw/zinc/09/87/28/396098728.db2.gz FIAOIQROOFZKAG-GFCCVEGCSA-N 1 0 306.322 0.696 10 5 DCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000302542027 396720709 /nfs/dbraw/zinc/72/07/09/396720709.db2.gz ODZKMACYEJFMDR-LLVKDONJSA-N 1 0 322.365 0.457 10 5 DCBERO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611242256 396843595 /nfs/dbraw/zinc/84/35/95/396843595.db2.gz PILSQBWRLWLLPU-ZDUSSCGKSA-N 1 0 319.365 0.908 10 5 DCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000170808841 416034314 /nfs/dbraw/zinc/03/43/14/416034314.db2.gz BSBQRQRBAYMBOU-LLVKDONJSA-N 1 0 311.342 0.018 10 5 DCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000221761319 664359882 /nfs/dbraw/zinc/35/98/82/664359882.db2.gz NNZMVUARIQQBIJ-PWSUYJOCSA-N 1 0 311.363 0.967 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000704812845 667260179 /nfs/dbraw/zinc/26/01/79/667260179.db2.gz DAODAZHRGCCETG-PWSUYJOCSA-N 1 0 300.384 0.885 10 5 DCBERO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716731200 670272130 /nfs/dbraw/zinc/27/21/30/670272130.db2.gz ZUMMZEOXCFMQCZ-QMMMGPOBSA-N 1 0 301.730 0.901 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248417896 395987633 /nfs/dbraw/zinc/98/76/33/395987633.db2.gz JXLMUNXLQBZKKQ-ZJUUUORDSA-N 1 0 305.338 0.881 10 5 DCBERO C[NH+](C)C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000155365482 396050033 /nfs/dbraw/zinc/05/00/33/396050033.db2.gz UCLMPOYSTGXLLZ-ZDUSSCGKSA-N 1 0 322.365 0.456 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261640196 396051737 /nfs/dbraw/zinc/05/17/37/396051737.db2.gz DVXMKUQGYZJRLB-UHFFFAOYSA-N 1 0 320.349 0.028 10 5 DCBERO CN(CC(=O)N1CC[NH2+]CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000261975663 396086235 /nfs/dbraw/zinc/08/62/35/396086235.db2.gz QPHRVSCFWRGOIN-UHFFFAOYSA-N 1 0 324.366 0.172 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262088347 396098222 /nfs/dbraw/zinc/09/82/22/396098222.db2.gz RISHHBJDQLIHQN-LBPRGKRZSA-N 1 0 319.365 0.418 10 5 DCBERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000263145430 396202564 /nfs/dbraw/zinc/20/25/64/396202564.db2.gz CQUPCFKKVVHUQZ-CMPLNLGQSA-N 1 0 311.338 0.282 10 5 DCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000126851731 158268572 /nfs/dbraw/zinc/26/85/72/158268572.db2.gz GWQNSTAXKITDMQ-QMMMGPOBSA-N 1 0 303.315 0.622 10 5 DCBERO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000133030983 158315084 /nfs/dbraw/zinc/31/50/84/158315084.db2.gz XKQQTBXLLFEWIK-SECBINFHSA-N 1 0 315.351 0.586 10 5 DCBERO C[C@H](C[NH3+])Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000111302795 415694102 /nfs/dbraw/zinc/69/41/02/415694102.db2.gz PDULXWGVXXEQKS-MRVPVSSYSA-N 1 0 302.356 0.604 10 5 DCBERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000301231718 416077984 /nfs/dbraw/zinc/07/79/84/416077984.db2.gz JRDAIIGLJRJNRI-NSHDSACASA-N 1 0 321.381 0.742 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179211782 416185417 /nfs/dbraw/zinc/18/54/17/416185417.db2.gz WCAPGDSCSRSBCP-LBPRGKRZSA-N 1 0 318.337 0.685 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156098989 525473473 /nfs/dbraw/zinc/47/34/73/525473473.db2.gz GVHATWOVRWUOMP-SNVBAGLBSA-N 1 0 315.351 0.715 10 5 DCBERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000156151446 527377168 /nfs/dbraw/zinc/37/71/68/527377168.db2.gz RKIIJQBCNWMUCJ-LSDHHAIUSA-N 1 0 322.317 0.864 10 5 DCBERO C[NH+](C)[C@@H]1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000170843177 665329285 /nfs/dbraw/zinc/32/92/85/665329285.db2.gz PSVRQZMTYRROEH-SNVBAGLBSA-N 1 0 318.333 0.784 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284845545 283087634 /nfs/dbraw/zinc/08/76/34/283087634.db2.gz CJKGCSVHRCXZRY-OLZOCXBDSA-N 1 0 320.349 0.722 10 5 DCBERO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187709598 237355511 /nfs/dbraw/zinc/35/55/11/237355511.db2.gz HTUUIRCMCDTBIO-CYBMUJFWSA-N 1 0 309.366 0.972 10 5 DCBERO CCN(CCC[NH2+]Cc1ccc([N+](=O)[O-])o1)S(C)(=O)=O ZINC000038035559 182975492 /nfs/dbraw/zinc/97/54/92/182975492.db2.gz DTGPRFNBDRQIAT-UHFFFAOYSA-N 1 0 305.356 0.949 10 5 DCBERO [NH3+][C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000050241902 183778506 /nfs/dbraw/zinc/77/85/06/183778506.db2.gz MHOOIHYBDGICMC-ZETCQYMHSA-N 1 0 305.743 0.970 10 5 DCBERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000116889610 395849056 /nfs/dbraw/zinc/84/90/56/395849056.db2.gz BTZMBMNDRCTQAK-GFCCVEGCSA-N 1 0 313.379 0.761 10 5 DCBERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000262056006 396094387 /nfs/dbraw/zinc/09/43/87/396094387.db2.gz AMNGDXYMCXGXGV-GXFFZTMASA-N 1 0 307.350 0.569 10 5 DCBERO [NH3+]CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000261932143 396080997 /nfs/dbraw/zinc/08/09/97/396080997.db2.gz LSUZOYBBQUWUTO-UHFFFAOYSA-N 1 0 322.365 0.878 10 5 DCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000176239667 396152296 /nfs/dbraw/zinc/15/22/96/396152296.db2.gz UDPVTNKHWGVARW-CQSZACIVSA-N 1 0 323.397 0.978 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)C[C@@H]1CO ZINC000179171129 396223439 /nfs/dbraw/zinc/22/34/39/396223439.db2.gz JQCADYKVVIXEDT-VXGBXAGGSA-N 1 0 309.322 0.269 10 5 DCBERO O=[N+]([O-])c1ccn(CCN2CC[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000262140172 158778154 /nfs/dbraw/zinc/77/81/54/158778154.db2.gz DWAVWEOEIUGLAB-CYBMUJFWSA-N 1 0 302.338 0.833 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000173365643 416057577 /nfs/dbraw/zinc/05/75/77/416057577.db2.gz SZEMZKUGDZMWAY-WCQYABFASA-N 1 0 321.341 0.081 10 5 DCBERO CC1=CC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000358184776 416207095 /nfs/dbraw/zinc/20/70/95/416207095.db2.gz GUTKPXFMLLVFRL-UHFFFAOYSA-N 1 0 322.369 0.743 10 5 DCBERO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H](C)[N@H+]1CCO ZINC000450796929 417269557 /nfs/dbraw/zinc/26/95/57/417269557.db2.gz RNVLJJIFHWEKNQ-PHIMTYICSA-N 1 0 320.353 0.529 10 5 DCBERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187896339 261124999 /nfs/dbraw/zinc/12/49/99/261124999.db2.gz QNMDNRMXALZWSO-XBFCOCLRSA-N 1 0 312.370 0.635 10 5 DCBERO COc1cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000122365415 132164924 /nfs/dbraw/zinc/16/49/24/132164924.db2.gz KYLNLWNROYGCDO-VIFPVBQESA-N 1 0 315.351 0.715 10 5 DCBERO NS(=O)(=O)c1ccc(NCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000044509169 395756763 /nfs/dbraw/zinc/75/67/63/395756763.db2.gz CNAVLDAHHTXACR-UHFFFAOYSA-N 1 0 314.367 0.654 10 5 DCBERO Cc1nn(C)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113225528 395828480 /nfs/dbraw/zinc/82/84/80/395828480.db2.gz GDUFZCCEJGVKAA-GXSJLCMTSA-N 1 0 307.354 0.945 10 5 DCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155374663 396050510 /nfs/dbraw/zinc/05/05/10/396050510.db2.gz FYKDYSFUBOORDP-JQWIXIFHSA-N 1 0 309.370 0.945 10 5 DCBERO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263297387 396212157 /nfs/dbraw/zinc/21/21/57/396212157.db2.gz WNOZTTAKQOKWAE-NSHDSACASA-N 1 0 304.310 0.924 10 5 DCBERO CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298393483 396709592 /nfs/dbraw/zinc/70/95/92/396709592.db2.gz FBFWKMNHFXCFTA-UHFFFAOYSA-N 1 0 307.354 0.867 10 5 DCBERO C[NH2+]CCOCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000600951092 396970984 /nfs/dbraw/zinc/97/09/84/396970984.db2.gz GWDAFPIDBYDWGU-UHFFFAOYSA-N 1 0 319.159 0.822 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000133160604 158317126 /nfs/dbraw/zinc/31/71/26/158317126.db2.gz INXXMGOPIPCUGD-SNVBAGLBSA-N 1 0 315.351 0.619 10 5 DCBERO [NH3+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095072705 415547230 /nfs/dbraw/zinc/54/72/30/415547230.db2.gz ZNGRXDFYFLHYGX-UHFFFAOYSA-N 1 0 300.340 0.349 10 5 DCBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175014411 416094759 /nfs/dbraw/zinc/09/47/59/416094759.db2.gz ZIRQOUSSWIMXKR-NWDGAFQWSA-N 1 0 307.354 0.877 10 5 DCBERO C[C@@H](O)CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000183607400 416247216 /nfs/dbraw/zinc/24/72/16/416247216.db2.gz IMZHSVSCMDNXPV-GHMZBOCLSA-N 1 0 323.353 0.909 10 5 DCBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000537718709 287871073 /nfs/dbraw/zinc/87/10/73/287871073.db2.gz RTCHXTNNBZXDOE-NSHDSACASA-N 1 0 313.358 0.000 10 5 DCBERO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000181228246 295362980 /nfs/dbraw/zinc/36/29/80/295362980.db2.gz XTWDBYQPAKXFFJ-LLVKDONJSA-N 1 0 322.365 0.754 10 5 DCBERO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235368622 658441854 /nfs/dbraw/zinc/44/18/54/658441854.db2.gz ZDTAAXGHFBZJFY-APPZFPTMSA-N 1 0 303.315 0.702 10 5 DCBERO Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261771774 661640335 /nfs/dbraw/zinc/64/03/35/661640335.db2.gz QVUQQNSPTNEJBP-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH3+] ZINC000156861301 291226496 /nfs/dbraw/zinc/22/64/96/291226496.db2.gz CZQGHNHELBBFJE-UHFFFAOYSA-N 1 0 303.340 0.573 10 5 DCBERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000112548747 395818731 /nfs/dbraw/zinc/81/87/31/395818731.db2.gz CVCYHFSAGPAUMO-VXGBXAGGSA-N 1 0 322.365 0.842 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000054266969 395896424 /nfs/dbraw/zinc/89/64/24/395896424.db2.gz BNSDVPIAJSPHEB-UHFFFAOYSA-N 1 0 315.351 0.634 10 5 DCBERO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)n1cc([N+](=O)[O-])cn1 ZINC000261746184 396061922 /nfs/dbraw/zinc/06/19/22/396061922.db2.gz IRUYGBHLXVQISN-TXEJJXNPSA-N 1 0 321.381 0.984 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397240 396113743 /nfs/dbraw/zinc/11/37/43/396113743.db2.gz MDVJEOHJAMZKNY-SECBINFHSA-N 1 0 315.351 0.634 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367460293 397401603 /nfs/dbraw/zinc/40/16/03/397401603.db2.gz ZOVWOJCTULXCPJ-IUODEOHRSA-N 1 0 320.349 0.403 10 5 DCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000075746966 158063541 /nfs/dbraw/zinc/06/35/41/158063541.db2.gz QJNFFGPVQBERER-KVCLCRKTSA-N 1 0 310.354 0.245 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000131878236 158307143 /nfs/dbraw/zinc/30/71/43/158307143.db2.gz XXGMDOBAYJIKGO-VIFPVBQESA-N 1 0 315.351 0.491 10 5 DCBERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095070675 415550470 /nfs/dbraw/zinc/55/04/70/415550470.db2.gz UIBQAELBSLNQNT-UHFFFAOYSA-N 1 0 300.340 0.362 10 5 DCBERO CC[C@@H](CO)[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302069275 416096923 /nfs/dbraw/zinc/09/69/23/416096923.db2.gz VCMBKUCTYUGYNX-ZDUSSCGKSA-N 1 0 309.366 0.980 10 5 DCBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420250795 262367971 /nfs/dbraw/zinc/36/79/71/262367971.db2.gz ZTWJRNBEWWONBE-RCOVLWMOSA-N 1 0 317.143 0.745 10 5 DCBERO [NH3+][C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122338666 295334947 /nfs/dbraw/zinc/33/49/47/295334947.db2.gz KWAOZZNVSWTLBV-QMMMGPOBSA-N 1 0 303.315 0.846 10 5 DCBERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246729086 529068434 /nfs/dbraw/zinc/06/84/34/529068434.db2.gz MQPQJAFHHUVSOC-TZMCWYRMSA-N 1 0 311.386 0.568 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261602320 661316706 /nfs/dbraw/zinc/31/67/06/661316706.db2.gz BYPJCDJKSQDBGX-WCBMZHEXSA-N 1 0 315.351 0.714 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC23C[NH2+]C3)cc1 ZINC000757067138 670347831 /nfs/dbraw/zinc/34/78/31/670347831.db2.gz JQZAVVMCRWLJFB-SNVBAGLBSA-N 1 0 311.363 0.873 10 5 DCBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000245583351 395932424 /nfs/dbraw/zinc/93/24/24/395932424.db2.gz KNGZGFVLBGCNGX-OLZOCXBDSA-N 1 0 306.366 0.925 10 5 DCBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151362870 395984609 /nfs/dbraw/zinc/98/46/09/395984609.db2.gz QDYWLTJQVJYYFO-YPMHNXCESA-N 1 0 324.385 0.819 10 5 DCBERO Cc1nn(C)c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000261840344 396072140 /nfs/dbraw/zinc/07/21/40/396072140.db2.gz POIDEHHUDSXMGH-PHIMTYICSA-N 1 0 307.354 0.708 10 5 DCBERO O=[N+]([O-])c1cnn(CCN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261666441 396054010 /nfs/dbraw/zinc/05/40/10/396054010.db2.gz HIVMKTWQKJVKFC-CQSZACIVSA-N 1 0 302.338 0.833 10 5 DCBERO Cc1c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000261690528 396056788 /nfs/dbraw/zinc/05/67/88/396056788.db2.gz JBNKDCGYIBLNAZ-UHFFFAOYSA-N 1 0 320.349 0.407 10 5 DCBERO CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CCOC ZINC000176232696 416121496 /nfs/dbraw/zinc/12/14/96/416121496.db2.gz JBTQAGGFWSHDJG-ZDUSSCGKSA-N 1 0 311.386 0.834 10 5 DCBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420250794 262367869 /nfs/dbraw/zinc/36/78/69/262367869.db2.gz ZTWJRNBEWWONBE-MUWHJKNJSA-N 1 0 317.143 0.745 10 5 DCBERO O=C(CNc1nc2sccn2c1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000037716283 270933857 /nfs/dbraw/zinc/93/38/57/270933857.db2.gz ZLZYZUCYANRZGT-UHFFFAOYSA-N 1 0 310.339 0.148 10 5 DCBERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000261687898 661400795 /nfs/dbraw/zinc/40/07/95/661400795.db2.gz IDNNLODOICQILZ-MRVPVSSYSA-N 1 0 303.340 0.490 10 5 DCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000152587799 664765342 /nfs/dbraw/zinc/76/53/42/664765342.db2.gz JMRZONKMQKYUKT-CQSZACIVSA-N 1 0 322.413 0.851 10 5 DCBERO CNS(=O)(=O)c1ccc(N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000234412767 290791616 /nfs/dbraw/zinc/79/16/16/290791616.db2.gz HUNGHOCWVCSOHX-SCZZXKLOSA-N 1 0 314.367 0.286 10 5 DCBERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284885792 283087501 /nfs/dbraw/zinc/08/75/01/283087501.db2.gz GFARHSSAVGQZCQ-OLZOCXBDSA-N 1 0 320.349 0.722 10 5 DCBERO CN1CC[NH2+]C[C@H]1c1noc(-c2cccc([N+](=O)[O-])c2N)n1 ZINC000263254353 396209563 /nfs/dbraw/zinc/20/95/63/396209563.db2.gz QHVWTMXNJZEICJ-JTQLQIEISA-N 1 0 304.310 0.803 10 5 DCBERO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177687709 396181075 /nfs/dbraw/zinc/18/10/75/396181075.db2.gz PEJXGYFUBHOFTB-CYBMUJFWSA-N 1 0 318.333 0.840 10 5 DCBERO O=[N+]([O-])c1cccc(-c2noc(CN3C[C@H](O)C[C@@H]3CO)n2)c1 ZINC000179174920 396223447 /nfs/dbraw/zinc/22/34/47/396223447.db2.gz OHYUPUXPQNDETL-VXGBXAGGSA-N 1 0 320.305 0.572 10 5 DCBERO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599103058 397336635 /nfs/dbraw/zinc/33/66/35/397336635.db2.gz LPJXRRLWLOYYJC-UHFFFAOYSA-N 1 0 315.351 0.381 10 5 DCBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000189685444 261132358 /nfs/dbraw/zinc/13/23/58/261132358.db2.gz GNARTMOSLAMSAB-UHFFFAOYSA-N 1 0 313.379 0.884 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000237204838 525473432 /nfs/dbraw/zinc/47/34/32/525473432.db2.gz ZSRPTQFTNJTUHV-QMMMGPOBSA-N 1 0 303.340 0.571 10 5 DCBERO Nc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160310929 657565165 /nfs/dbraw/zinc/56/51/65/657565165.db2.gz ULCFQWSAMCHCTR-GFCCVEGCSA-N 1 0 322.365 0.754 10 5 DCBERO [NH3+]C1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC000261646545 1184634698 /nfs/dbraw/zinc/63/46/98/1184634698.db2.gz AAFLOKDWXZOJJM-UHFFFAOYSA-N 1 0 305.334 0.987 10 5 DCBERO CC[C@@H]([NH3+])CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000111304646 395806938 /nfs/dbraw/zinc/80/69/38/395806938.db2.gz QHBBMGCHMXWVSA-MRVPVSSYSA-N 1 0 302.356 0.652 10 5 DCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000132232610 395926652 /nfs/dbraw/zinc/92/66/52/395926652.db2.gz PWERRKOERCWXMN-CYBMUJFWSA-N 1 0 322.365 0.163 10 5 DCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2=[NH+]CCCN2)cc1 ZINC000262379826 396132947 /nfs/dbraw/zinc/13/29/47/396132947.db2.gz OCMIDICDPHEWMU-UHFFFAOYSA-N 1 0 312.351 0.307 10 5 DCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC([NH+]2CCCCC2)C1 ZINC000619451651 397132439 /nfs/dbraw/zinc/13/24/39/397132439.db2.gz UCHKBVRHGFWODG-UHFFFAOYSA-N 1 0 308.342 0.319 10 5 DCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000133264212 158318317 /nfs/dbraw/zinc/31/83/17/158318317.db2.gz GPJSOPIXUQIXRB-UHFFFAOYSA-N 1 0 303.340 0.619 10 5 DCBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000408183473 160054025 /nfs/dbraw/zinc/05/40/25/160054025.db2.gz RKCFETYPNRXLEL-GHMZBOCLSA-N 1 0 308.342 0.272 10 5 DCBERO CN(C)c1cc[nH+]cc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000183979747 522309732 /nfs/dbraw/zinc/30/97/32/522309732.db2.gz QBNCNWHNYJFGAM-UHFFFAOYSA-N 1 0 304.310 0.682 10 5 DCBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000128401026 526250829 /nfs/dbraw/zinc/25/08/29/526250829.db2.gz NEIHOIBPQRWRSK-LBPRGKRZSA-N 1 0 324.385 0.965 10 5 DCBERO